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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

    2018-01-05

    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 ^{40}Ca^{+} 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)

    Energy Technology Data Exchange (ETDEWEB)

    Born, Sabine [Degussa AG, Hanau (Germany); Matsunami, Noriaki [Nagoya Univ. (Japan). Faculty of Engineering; Tawara, Hiroyuki [National Inst. for Fusion Science, Toki, Gifu (Japan)

    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. Theoretical general relativity: 1979

    International Nuclear Information System (INIS)

    Bergmann, O.

    1979-01-01

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

  5. 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

  6. 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.

  7. 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

  8. Electron-impact ionization of atomic ions: Theoretical results

    Energy Technology Data Exchange (ETDEWEB)

    Loch, S D; Burgos, J M Munoz; Ballance, C P; Ludlow, J; Lee, T-G; Fogle, M; Pindzola, M S [Auburn University, Auburn, AL 36849 (United States); Griffin, D C [Rollins College, Winter Park, FL 32789 (United States); Yumak, A; Yavuz, I; Altun, Z, E-mail: loch@physics.auburn.ed [Marmara University, Istanbul (Turkey)

    2009-11-15

    A brief overview is given of theoretical results for electron-impact ionization of atoms and ions. A description is given of the main theoretical methods, along with the databases where the data are archived. It is shown that for light species, ground and metastable ionization cross sections are in reasonable agreement with experiment when non-perturbative data are used for the near neutrals and distorted wave data are used for ions greater than a few times ionized. Some discrepancies between theory and experiment still remain for systems with open d and open p subshells. The sensitivity of ionization rate coefficients to the near threshold part of the ionization cross section is shown. The role of excited states in effective ionization rate coefficients is demonstrated and recent excited state ionization cross section results for H, He, He{sup +}, B{sup 2+} and Ne are presented.

  9. Theoretical predictions of the lateral spreading of implanted ions

    International Nuclear Information System (INIS)

    Ashworth, D.G.; Oven, R.

    1986-01-01

    The theoretical model and computer program (AAMPITS-3D) of Ashworth and co-workers for the calculation of three-dimensional distributions of implanted ions in multi-element amorphous targets are extended to show that the lateral rest distribution is gaussian in a form with a lateral standard deviation (lateral-spread function) which is a function of depth beneath the target surface. A method is given whereby this function may be accurately determined from a knowledge of the projected range and chord range rest distribution functions. Examples of the lateral-spread function are given for boron, phosphorus and arsenic ions implanted into silicon and a detailed description is given of how the lateral-spread function may be used in conjunction with the projected range rest distribution function to provide a fully three-dimensional rest distribution of ions implanted into amorphous targets. Examples of normalised single ion isodensity contours computed from AMPITS-3D are compared with those obtained using the previous assumption of a lateral standard deviation which was independent of distance beneath the target surface. (author)

  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 Investigation of Vibrational Frequencies for Tetrabromopalladate (II Ion

    Directory of Open Access Journals (Sweden)

    Metin Bilge

    2010-11-01

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

  12. Dissociation of the Phenylarsane Molecular Ion: A Theoretical Study

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-09-15

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

  13. A theoretical model of a liquid metal ion source

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  14. Interpersonal Relations: A Choice-Theoretic Framework.

    Science.gov (United States)

    Couvillion, L. Michael; Eckstein, Daniel G.

    The microeconomic theory relating to utility and cost is applied to the "risk," and the possible "payoff" relative to relationships with others. A good measure of utility is the need or want-satisfying power of an alternative. For the analysis of interpersonal relationships, the needs delineated by Maslow (i.e. food, shelter, belongingness, love,…

  15. Theoretical perspective on RHIC [relativistic heavy ion collider] physics

    International Nuclear Information System (INIS)

    Dover, C.B.

    1990-10-01

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

  16. 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 ...

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

    International Nuclear Information System (INIS)

    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

  18. 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

  19. 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

  20. 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.

  1. Theoretical predictions of lactate and hydrogen ion distributions in tumours.

    Directory of Open Access Journals (Sweden)

    Maymona Al-Husari

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

  2. A theoretical investigation of the collective acceleration of cluster ions with accelerated potential waves

    International Nuclear Information System (INIS)

    Suzuki, Hiroshi; Enjoji, Hiroshi; Kawaguchi, Motoichi; Noritake, Toshiya

    1984-01-01

    A theoretical treatment of the acceleration of cluster ions for additional heating of fusion plasma using the trapping effect in an accelerated potential wave is described. The conceptual design of the accelerator is the same as that by Enjoji, and the potential wave used is sinusoidal. For simplicity, collisions among cluster ions and the resulting breakups are neglected. The masses of the cluster ions are specified to range from 100 m sub(D) to 1000 m sub(D) (m sub(D): mass of a deuterium atom). Theoretical treatment is carried out only for the injection velocity which coincides with the phase velocity of the applied wave at the entrance of the accelerator. An equation describing the rate for successful acceleration of ions with a certain mass is deduced for the continuous injection of cluster ions. Computation for a typical mass distribution shows that more than 70% of the injected particles are effectively accelerated. (author)

  3. Theoretical progress in studying the characteristic x-ray emission from heavy few-electron ions

    International Nuclear Information System (INIS)

    Surzhykov, Andrey; Stohlker, Thomas; Fritzsche, Stephan; Kabachnik, Nikolai M

    2009-01-01

    Recent theoretical progress in the study of the x-ray characteristic emission from highly-charged, few-electron ions is reviewed. These investigations show that the bound-state radiative transitions in high-Z ions provide a unique tool for better understanding the interplay between the structural and dynamical properties of heavy ions. In order to illustrate such an interplay, detailed calculations are presented for the K α1 decay of the helium-like uranium ions U 90+ following radiative electron capture, Coulomb excitation and dielectronic recombination processes.

  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. 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...

  6. Role of information theoretic uncertainty relations in quantum theory

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-15

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

  7. 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

  8. 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

  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 examination of the trapping of ion-implanted hydrogen in metals

    International Nuclear Information System (INIS)

    Myers, S.M.; Nordlander, P.; Besenbacher, F.; Norskov, J.K.

    1986-01-01

    Theoretical analysis of the defect trapping of ion-implanted hydrogen in metals has been extended in two respects. A new transport formalism has been developed which takes account not only of the diffusion, trapping, and surface release of the hydrogen, which were included in earlier treatments, but also the diffusion, recombination, agglomeration, and surface annihilation of the vacancy and interstitial traps. In addition, effective-medium theory has been used to examine multiple hydrogen occupancy of the vacancy, and, for the fcc structure, appreciable binding enthalpies relative to the solution site have been found for occupancies of up to six. These extensions have been employed to model the depth distribution of ion-implanted hydrogen in Ni and Al during linear ramping of temperature, and the results have been used to interpret previously published data from these metals. The agreement between theory and experiment is good for both systems. In the case of Ni, the two experimentally observed hydrogen-release stages are both accounted for in terms of trapping at vacancies with a binding enthalpy that depends upon occupancy in accord with effective-medium theory

  11. 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

  12. 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

  13. 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

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

    International Nuclear Information System (INIS)

    Mantsinen, M.

    1999-01-01

    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. 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

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

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  17. Exploring patient satisfaction predictors in relation to a theoretical model.

    Science.gov (United States)

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

    2013-01-01

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

  18. 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

  19. Interfaces and Materials in Lithium Ion Batteries: Challenges for Theoretical Electrochemistry.

    Science.gov (United States)

    Kasnatscheew, Johannes; Wagner, Ralf; Winter, Martin; Cekic-Laskovic, Isidora

    2018-04-18

    Energy storage is considered a key technology for successful realization of renewable energies and electrification of the powertrain. This review discusses the lithium ion battery as the leading electrochemical storage technology, focusing on its main components, namely electrode(s) as active and electrolyte as inactive materials. State-of-the-art (SOTA) cathode and anode materials are reviewed, emphasizing viable approaches towards advancement of the overall performance and reliability of lithium ion batteries; however, existing challenges are not neglected. Liquid aprotic electrolytes for lithium ion batteries comprise a lithium ion conducting salt, a mixture of solvents and various additives. Due to its complexity and its role in a given cell chemistry, electrolyte, besides the cathode materials, is identified as most susceptible, as well as the most promising, component for further improvement of lithium ion batteries. The working principle of the most important commercial electrolyte additives is also discussed. With regard to new applications and new cell chemistries, e.g., operation at high temperature and high voltage, further improvements of both active and inactive materials are inevitable. In this regard, theoretical support by means of modeling, calculation and simulation approaches can be very helpful to ex ante pre-select and identify the aforementioned components suitable for a given cell chemistry as well as to understand degradation phenomena at the electrolyte/electrode interface. This overview highlights the advantages and limitations of SOTA lithium battery systems, aiming to encourage researchers to carry forward and strengthen the research towards advanced lithium ion batteries, tailored for specific applications.

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  1. 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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  3. 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.

  4. 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.)

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

    International Nuclear Information System (INIS)

    Korek, M.; Younis, G.

    2000-01-01

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

  6. Alkynylcarbenium ions and related unsaturated cations

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-10-31

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

  7. Alkynylcarbenium ions and related unsaturated cations

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  8. 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

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

    Science.gov (United States)

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

    2013-05-07

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-01-01

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

  11. 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)

  12. 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.

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

    Science.gov (United States)

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

    2008-10-01

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

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

    Science.gov (United States)

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

    2017-12-01

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

  15. 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.

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-01-01

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

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

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

    Science.gov (United States)

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

    2015-06-01

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

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

    Science.gov (United States)

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

    2010-03-18

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

  1. 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.

  2. 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 ...

  3. 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)

  4. New theoretical and practical aspects regarding electrodynamic relativity

    International Nuclear Information System (INIS)

    Manea, Florin; Cazacu, Emil

    2005-01-01

    The relativity theory of Einstein and Minkowski, based on the principle of inertial systems equivalence and Lorentz's kinematics transformation, was born from the necessity of agreement between the theory of moving mediums and experimental observations. Although Lorentz's transformation was found in pre- relativistic electrodynamics, later the electrodynamics phenomena (and not only) were explained by kinematics relations. Faraday's experiences that rendered manifest importance of the relative movement between the inductor and the induced system, is well known today from the theory and practice of electrical machines. The tensor symbolic intrinsic 'manifest covariant' expressions of the state and evolution equations for the electromagnetic field used by the physicists are elegant but non-intuitive and unfriendly for engineers. The quadritensors of electromagnetic fields contain six independent Cartesian components: two absolute, parallel to the relative translation velocity vector of the inertial reference system and four relative components perpendicular to the velocity vector. That is way it is possible and didactically useful the split of quadritensors and quadrivectors in bitensors and bivectors for simplifying the tensor equations expressed in an explicit matrix form, which is covariant and intuitive. The Lorentz's transformation of space - temporal derivative operators and thus the transformation of proper coordinate of reference system is obtained as a consequence (and not as a premise) of the electromagnetic field properties. For non-relativistic velocities the moving in a magnetic field creates an important electric field but the moving in an electric field leads to an unimportant practically insignificant magnetic field. That is way, the hypothesis that magnetic field density as an absolute value and the constitutive relation B = μ 0 H also the magnetic fields intensity remains absolute, is practically justified. From the Maxwell homogeneous equations a

  5. 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)

  6. A theoretical perspective on running-related injuries.

    Science.gov (United States)

    Gallant, Jodi Lynn; Pierrynowski, Michael Raymond

    2014-03-01

    The etiology of running-related injuries remains unknown; however, an implicit theory underlies much of the conventional research and practice in the prevention of these injuries. This theory posits that the cause of running-related injuries lies in the high-impact forces experienced when the foot contacts the ground and the subsequent abnormal movement of the subtalar joint. The application of this theory is seen in the design of the modern running shoe, with cushioning, support, and motion control. However, a new theory is emerging that suggests that it is the use of these modern running shoes that has caused a maladaptive running style, which contributes to a high incidence of injury among runners. The suggested application of this theory is to cease use of the modern running shoe and transition to barefoot or minimalist running. This new running paradigm, which is at present inadequately defined, is proposed to avoid the adverse biomechanical effects of the modern running shoe. Future research should rigorously define and then test both theories regarding their ability to discover the etiology of running-related injury. Once discovered, the putative cause of running-related injury will then provide an evidence-based rationale for clinical prevention and treatment.

  7. [Relational frame theory - a theoretical framework for contextual behavioral science].

    Science.gov (United States)

    Kensche, M; Schweiger, U

    2015-05-01

    Therapists have to deal with verbal systems and often work with verbal exchange. Therefore, a psychological theory is required, which teaches the therapist how to accomplish this task. The BRT is a theory of human language and cognition that explains how people use their verbal behavior as stimuli in their interrelations and how they act and react, based on the resulting relationships. This behavior is learned very early in the course of language acquisition and functions as a generalized operant. A prerequisite for this is the ability of people to undergo mental simulation. This enables them to construct diverse relational frameworks between individual stimuli. Without relational frameworks, people cannot function. The ability to establish a relational framework is a prerequisite for the formation of rule-governed behavior. Rule-governed behavior economizes complex decision processes, creates interpersonal security and enables dealing with events before they take place. On the other hand, the same properties that enable people to solve problems effectively can also contribute to rigid adherence to rules and experience avoidance. Relational frameworks, once established, outweigh other sources of behavioral regulation. Thus, it can become the basis of psychopathology. Poor contextual control makes it difficult for people to devote flexible, focused and voluntary attention to the present and align their actions with the immediate present. Contextual psychotherapy methods that are based on the BRT start precisely at this point: Targeted establishment of new contingencies in the therapeutic interaction through systematic strengthening of metacognitive mode and through the establishment of new rules that make possible a change in the rule-governed behavior enable undermining of dysfunctional rule-governed behavior and build up desirable behavior. This allows any therapeutic process to be more effective - regardless of the patient's expressed symptoms. © Georg Thieme

  8. Kinematic relations in heavy-ion reactions

    International Nuclear Information System (INIS)

    Gippner, P.; Kalpakchieva, R.

    1988-01-01

    The present work gives a short overview of the non-relativistic kinematics of nuclear reactions derived on the basis of the conservation laws of energy and linear momentum. Section 2 contains kinematic relations valid for two-body reactions, sections 3 makes use of these relations to describe sequential fission as a special case of reactions with three particles in the exit channel. It is the aim of this work to comprise the kinematic formulae essential for planning of experiments, data analysis and critical examination of the obtained results. (author)

  9. 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...

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

    NARCIS (Netherlands)

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

    1991-01-01

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    International Nuclear Information System (INIS)

    Larson, Asa

    2012-01-01

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

  13. Theoretical treatment of electron capture and excitation in two-electron system ion-atom, atom-atom collisions at low to intermediate energy

    International Nuclear Information System (INIS)

    Kimura, M.

    1986-01-01

    A review of various theoretical treatments which have been used to study electron-capture and excitation processes in two-electron-system ion-atom, atom-atom collisions at low to intermediate energy is presented. Advantages as well as limitations associated with these theoretical models in application to practical many-electron ion-atom, atom-atom collisions are specifically pointed out. Although a rigorous theoretical study of many-electron systems has just begun so that reports of theoretical calculations are scarce to date in comparison to flourishing experimental activities, some theoretical results are of great interest and provide important information for understanding collision dynamics of the system which contains many electrons. Selected examples are given for electron capture in a multiply charged ion-He collision, ion-pair formation in an atom-atom collision and alignment and orientation in a Li + + He collision. (Auth.)

  14. 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

  15. 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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2002-06-01

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

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

    Science.gov (United States)

    Banerjee, Puja; Yashonath, Subramanian; Bagchi, Biman

    2017-04-01

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

  18. Improvements in and relating to ion-exchange

    International Nuclear Information System (INIS)

    Heal, H.G.

    1975-01-01

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

  19. 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.

  20. Theoretical study of the electron stopping power in ion planar channeling

    International Nuclear Information System (INIS)

    Haymann, P.

    1974-01-01

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

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

    Czech Academy of Sciences Publication Activity Database

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

    2010-01-01

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

  2. 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)

  3. 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)

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

    International Nuclear Information System (INIS)

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

    1989-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Fokin, A.B

    1998-11-01

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

  6. 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

  7. Theoretical ion implantation profiles for low energy protons under channeling conditions

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  8. A theoretical and experimental study of calcium, iron, zinc, cadmium, and sodium ions absorption by aspartame.

    Science.gov (United States)

    Mahnam, Karim; Raisi, Fatame

    2017-03-01

    Aspartame (L-Aspartyl-L-phenylalanine methyl ester) is a sweet dipeptide used in some foods and beverages. Experimental studies show that aspartame causes osteoporosis and some illnesses, which are similar to those of copper and calcium deficiency. This raises the issue that aspartame in food may interact with cations and excrete them from the body. This study aimed to study aspartame interaction with calcium, zinc, iron, sodium, and cadmium ions via molecular dynamics simulation (MD) and spectroscopy. Following a 480-ns molecular dynamics simulation, it became clear that the aspartame is able to sequester Fe 2+ , Ca 2+ , Cd 2+ , and Zn 2+ ions for a long time. Complexation led to increasing UV-Vis absorption spectra and emission spectra of the complexes. This study suggests a potential risk of cationic absorption of aspartame. This study suggests that purification of cadmium-polluted water by aspartame needs a more general risk assessment.

  9. Processing considerations with plasma-based ion implantation of polymers: theoretical aspects, limitations, and experimental results

    International Nuclear Information System (INIS)

    Lacoste, A.; Pelletier, J.

    2003-01-01

    Processing of polymers using plasma-based ion implantation techniques (PBII) has general implications in terms of plasma specifications and pulse characteristics. In particular, the different aspects of the processing of polymer layers are discussed as functions of plasma density, pulse duration, and layer characteristics (thickness and permittivity). Clearly, severe limitations (true implantation energy, arcing) may appear for high-density plasmas as well as for long pulse durations, when processing polymer layers with thickness in the mm range. A review of the experimental results of ion implantation in polymeric materials via PBII processing is presented. The experimental results demonstrate the possibility of processing polymer layers with the PBII technique, but with severe limitations resulting from the process itself

  10. Theoretical contributions to coherent pion production in subthreshold and relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Deutchman, P.A.; Norbury, J.W.; Townsend, L.W.

    1986-01-01

    The analysis results from a microscopic calculation for pion production in heavy-ion collisions at intermediate to relativistic energies both above and below pion threshold are presented and the most important terms that contribute to the pion spectrum are determined. The energy dependence and the effects on the pion spectrum due to the various parameters in the theory are examined. The model is applied to coherent pion-production in 16 O + 12 C collisions. (orig.)

  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. Theoretical investigation of the β decay of a negative tritium ion

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  13. Theoretical study of β-decay of a negative tritium ion

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  14. Theoretical prediction of silicene as a new candidate for the anode of lithium-ion batteries.

    Science.gov (United States)

    Seyed-Talebi, Seyedeh Mozhgan; Kazeminezhad, Iraj; Beheshtian, Javad

    2015-11-28

    Using density functional theory calculations, we determine the band structure and DOS of graphene and silicene supercell models. We also study the adsorption mechanism of Li metal atoms and Li-ions onto free-standing silicene (buckled, θ = 101.7°) and compare the results with those of graphene. In contrast to graphene, interactions between Li metal atoms and Li-ions with the silicene surface are quite strong due to its highly reactive buckled hexagonal structure. As a consequence of structural properties the adsorption height, the most stable adsorption site and energy barrier against Li diffusion are also discussed here to outline the prospects of using silicene in electronic devices such as Li ion batteries (LiBs), hydrogen storage and molecular machines. However, in most LiBs, graphene layers are used as anode electrodes. Here, it is shown that graphene has very limited Li storage capacity and low surface area than silicene. As our models are in good agreement with previous predictions, this finding presents a possible avenue for creating better anode materials that can replace graphene for higher capacity and better cycling performance of LiBs.

  15. 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.

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

    International Nuclear Information System (INIS)

    Miyamoto, Kenji; Hatayama, Akiyoshi

    2009-01-01

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

  17. 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...

  18. Theoretical explanation of EPR parameters for Cu2+ ion in TiO2 crystal

    International Nuclear Information System (INIS)

    Dong, H.N.; Wu, S.Y.; Li, P.

    2004-01-01

    The EPR parameters anisotropic g-factors g x , g y and g z for Cu 2+ ion and hyperfine structure constants A x , A y and A z for 63 Cu 2+ and 65 Cu 2+ isotopes in rutile (TiO 2 ) crystal are calculated by the method of diagonalizing the full Hamiltonian matrix. The crystal-field parameters contact with the crystal structure by the aid of the superposition model. The calculated results are in reasonable agreement with the observed values. The results are discussed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. Theoretical evaluation of high-energy lithium metal phosphate cathode materials in Li-ion batteries

    Science.gov (United States)

    Howard, Wilmont F.; Spotnitz, Robert M.

    Lithium metal phosphates (olivines) are emerging as long-lived, safe cathode materials in Li-ion batteries. Nano-LiFePO 4 already appears in high-power applications, and LiMnPO 4 development is underway. Current and emerging Fe- and Mn-based intercalants, however, are low-energy producers compared to Ni and Co compounds. LiNiPO 4, a high voltage olivine, has the potential for superior energy output (>10.7 Wh in 18650 batteries), compared with commercial Li(Co,Ni)O 2 derivatives (up to 9.9 Wh). Speculative Co and Ni olivine cathode materials charged to above 4.5 V will require significant advances in electrolyte compositions and nanotechnology before commercialization. The major drivers toward 5 V battery chemistries are the inherent abuse tolerance of phosphates and the economic benefit of LiNiPO 4: it can produce 34% greater energy per dollar of cell material cost than LiAl 0.05Co 0.15Ni 0.8O 2, today's "standard" cathode intercalant in Li-ion batteries.

  20. 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

  1. The synchrotron and its related technology for ion beam therapy

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  2. 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

  3. 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

  4. Experimental and theoretical studies of the energy level structure of multiply charged many-electron ions

    International Nuclear Information System (INIS)

    Redfors, A.

    1991-01-01

    Magnesiumlike and aluminumlike spectra of the elements calcium - germanium have been obtained through the use of laser-produced plasmas (LPP) and a 3 m normal incidence vacuum spectrograph. The spectral analyses were mainly based on isoelectronic regularities. Intermediate ionization stages of cerium (Ce V) and silicon (SI VI) have also been studied. The light sources in these cases were a sliding spark and a modified version of the LPP. The Eagle spectrograph at the National Institute of Standards and Technology, Gaitherburg, Maryland was used to record the cerium spectrum. Ab initio calculations and least-squares fits of the Slater energy parameters to the experimental energy levels are reported for all investigated spectra. Theoretical predictions of oscillator strengths for Y III and Zr III in the region 1150-3200 AA are presented. The oscillator strengths are needed for abundance determinations of Y 2+ and Zr 2+ in chemically peculiar stars, Cp stars. (65 refs.)

  5. 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.

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

    International Nuclear Information System (INIS)

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

    2001-01-01

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

  7. Radioluminescence of synthetic quartz related to alkali ions

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-04-15

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

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

    OpenAIRE

    Oleksii Drozd; Yaroslav Lazur; Ruslan Serbin

    2017-01-01

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

  9. An improved theoretical electrochemical-thermal modelling of lithium-ion battery packs in electric vehicles

    Science.gov (United States)

    Amiribavandpour, Parisa; Shen, Weixiang; Mu, Daobin; Kapoor, Ajay

    2015-06-01

    A theoretical electrochemical thermal model combined with a thermal resistive network is proposed to investigate thermal behaviours of a battery pack. The combined model is used to study heat generation and heat dissipation as well as their influences on the temperatures of the battery pack with and without a fan under constant current discharge and variable current discharge based on electric vehicle (EV) driving cycles. The comparison results indicate that the proposed model improves the accuracy in the temperature predication of the battery pack by 2.6 times. Furthermore, a large battery pack with four of the investigated battery packs in series is simulated in the presence of different ambient temperatures. The simulation results show that the temperature of the large battery pack at the end of EV driving cycles can reach to 50 °C or 60 °C in high ambient temperatures. Therefore, thermal management system in EVs is required to maintain the battery pack within the safe temperature range.

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

    CERN Document Server

    D'Auria, Riccardo

    2012-01-01

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

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

    International Nuclear Information System (INIS)

    Rodriguez, V.D.

    2003-01-01

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

  12. 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

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

    Science.gov (United States)

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

    2018-04-01

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

  14. 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)

  15. 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.

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

    Science.gov (United States)

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

    2009-02-01

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

  17. Theoretical and experimental study of the electron distribution function in the plasma of an electron cyclotron resonance ion source

    International Nuclear Information System (INIS)

    Girard, A.; Perret, C.; Bourg, F.; Khodja, H.; Melin, G.; Lecot, C.

    1997-01-01

    Electron Cyclotron Resonance Ion Sources (ECRIS) are mirror machines which can deliver important fluxes of Highly Charged Ions (HCI). These performances are strongly correlated with hot electrons sustained by an RF wave. This paper presents an analysis of the EDF in an ECR source. In the first part of the paper a one-dimensional Fokker-Planck code for the Electron Distribution Function is presented: this code includes a quasilinear diffusion operator for the RF wave, a collision term and a source term due to electron impact ionization. The present status of this code is presented. In the second part of the paper experiments related to the measurement of the EDF are presented: electron density, diamagnetism, electron endloss current have been measured at the Quadrumafios ECRIS. With these results it is possible to give a precise description of the EDF. (author)

  18. 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.

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  20. Methodological and theoretical issues in the comparative analysis of gender relations in Western Europe

    OpenAIRE

    S Walby

    1994-01-01

    The aim in this paper is to contribute to the development of a research agenda for the comparative analysis of gender relations in Western Europe. Its focus is the clarification of the methodological and theoretical issues involved. Several different indices of gender inequality are assessed. It is argued that it is important to distinguish between the form and degree of patriarchy, rather than assuming that these are closely associated. Data from the EC and Scandinavia are used to illustrate...

  1. Relative ion expansion velocity in laser-produced plasmas

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  2. 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)

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

    Indian Academy of Sciences (India)

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

  4. 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.

  5. 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.

  6. 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

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

    Indian Academy of Sciences (India)

    Unknown

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

  8. 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.

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

    Directory of Open Access Journals (Sweden)

    Alfred Müller

    2015-05-01

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

  10. 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.

  11. THEORETICAL CEPHEID PERIOD-LUMINOSITY AND PERIOD-COLOR RELATIONS IN SPITZER IRAC BANDS

    International Nuclear Information System (INIS)

    Ngeow, Chow-Choong; Marconi, Marcella; Musella, Ilaria; Cignoni, Michele; Kanbur, Shashsi M.

    2012-01-01

    In this paper, the synthetic period-luminosity (P-L) relations in Spitzer's IRAC bands, based on a series of theoretical pulsation models with varying metal and helium abundance, were investigated. Selected sets of these synthetic P-L relations were compared to the empirical IRAC band P-L relations recently determined from Galactic and Magellanic Clouds Cepheids. For the Galactic case, synthetic P-L relations from model sets with (Y = 0.26, Z = 0.01), (Y = 0.26, Z = 0.02), and (Y = 0.28, Z = 0.02) agree with the empirical Galactic P-L relations derived from the Hubble Space Telescope parallaxes. For Magellanic Cloud Cepheids, the synthetic P-L relations from model sets with (Y = 0.25, Z = 0.008) agree with both of the empirical Large Magellanic Cloud (LMC) and Small Magellanic Cloud P-L relations. Analysis of the synthetic P-L relations from all model sets suggested that the IRAC band P-L relations may not be independent of metallicity, as the P-L slopes and intercepts could be affected by the metallicity and/or helium abundance. We also derive the synthetic period-color (P-C) relations in the IRAC bands. Non-vanishing synthetic P-C relations were found for certain combinations of IRAC band filters and metallicity. However, the synthetic P-C relations disagreed with the [3.6]-[8.0] P-C relation recently found for the Galactic Cepheids. The synthetic [3.6]-[4.5] P-C slope from the (Y = 0.25, Z = 0.008) model set, on the other hand, is in excellent agreement to the empirical LMC P-C counterpart, if a period range 1.0 < log (P) < 1.8 is adopted.

  12. THEORETICAL CEPHEID PERIOD-LUMINOSITY AND PERIOD-COLOR RELATIONS IN SPITZER IRAC BANDS

    Energy Technology Data Exchange (ETDEWEB)

    Ngeow, Chow-Choong [Graduate Institute of Astronomy, National Central University, Jhongli City 32001, Taiwan (China); Marconi, Marcella; Musella, Ilaria [Osservatorio Astronomico di Capodimonte, Via Moiariello 16, 80131 Napoli (Italy); Cignoni, Michele [Department of Astronomy, Bologna University, via Ranzani 1, 40127 Bologna (Italy); Kanbur, Shashsi M. [Department of Physics, State University of New York at Oswego, Oswego, NY 13126 (United States)

    2012-02-01

    In this paper, the synthetic period-luminosity (P-L) relations in Spitzer's IRAC bands, based on a series of theoretical pulsation models with varying metal and helium abundance, were investigated. Selected sets of these synthetic P-L relations were compared to the empirical IRAC band P-L relations recently determined from Galactic and Magellanic Clouds Cepheids. For the Galactic case, synthetic P-L relations from model sets with (Y = 0.26, Z = 0.01), (Y = 0.26, Z = 0.02), and (Y = 0.28, Z = 0.02) agree with the empirical Galactic P-L relations derived from the Hubble Space Telescope parallaxes. For Magellanic Cloud Cepheids, the synthetic P-L relations from model sets with (Y = 0.25, Z = 0.008) agree with both of the empirical Large Magellanic Cloud (LMC) and Small Magellanic Cloud P-L relations. Analysis of the synthetic P-L relations from all model sets suggested that the IRAC band P-L relations may not be independent of metallicity, as the P-L slopes and intercepts could be affected by the metallicity and/or helium abundance. We also derive the synthetic period-color (P-C) relations in the IRAC bands. Non-vanishing synthetic P-C relations were found for certain combinations of IRAC band filters and metallicity. However, the synthetic P-C relations disagreed with the [3.6]-[8.0] P-C relation recently found for the Galactic Cepheids. The synthetic [3.6]-[4.5] P-C slope from the (Y = 0.25, Z = 0.008) model set, on the other hand, is in excellent agreement to the empirical LMC P-C counterpart, if a period range 1.0 < log (P) < 1.8 is adopted.

  13. Survey of experimental and theoretical electron-impact ionization cross sections for transition metal ions in low stages of ionization

    International Nuclear Information System (INIS)

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

    1985-03-01

    Electron-ion crossed beams measurements and distorted-wave theory have been employed to make a study of electron-impact ionization for transition metal ions in low stages of ionization. The atomic ions Ti+, Ti 2 +, Ti 3 +, Fe+, Fe 2 +, Fe 3 +, Fe 4 +, Ni+, Ni 2 +, Ni 3 +, Cu+, Cu 2 +, and Cu 3 + are examined

  14. 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.

  15. Ion Chromatographic Analyses of Sea Waters, Brines and Related Samples

    Directory of Open Access Journals (Sweden)

    Nataša Gros

    2013-06-01

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

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

    International Nuclear Information System (INIS)

    Rodriguez, V.D.

    1991-01-01

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

  17. 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

  18. Ion Chromatographic Analyses of Sea Waters, Brines and Related Samples

    OpenAIRE

    Nataša Gros

    2013-01-01

    This review focuses on the ion chromatographic methods for the analyses of natural waters with high ionic strength. At the beginning a natural diversity in ionic composition of waters is highlighted and terminology clarified. In continuation a brief overview of other review articles of potential interest is given. A review of ion chromatographic methods is organized in four sections. The first section comprises articles focused on the determination of ionic composition of water samples as com...

  19. 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.

  20. Rearrangement reactions in ion-ion and ion-atom collisions: results and problems

    Energy Technology Data Exchange (ETDEWEB)

    Presnyakov, L.P. [Lebedev Physical Institute, Moscow (Russian Federation); Tawara, H.

    1997-01-01

    Recent experimental and theoretical results are discussed for ionic collisions with large cross sections at intermediate and small energies of the relative motion. Single- and double-electron removal from H{sup -} ions in slow collisions with other ions is considered in more details. The theoretical methods are discussed from the viewpoint of general requirements of scattering theory. (author)

  1. 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.

  2. 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.

  3. Pain judgements of patients' relatives: examining the use of social contract theory as theoretical framework.

    Science.gov (United States)

    Kappesser, Judith; de C Williams, Amanda C

    2008-08-01

    Observer underestimation of others' pain was studied using a concept from evolutionary psychology: a cheater detection mechanism from social contract theory, applied to relatives and friends of chronic pain patients. 127 participants estimated characters' pain intensity and fairness of behaviour after reading four vignettes describing characters suffering from pain. Four cues were systematically varied: the character continuing or stopping liked tasks; continuing or stopping disliked tasks; availability of medical evidence; and pain intensity as rated by characters. Results revealed that pain intensity and the two behavioural variables had an effect on pain estimates: high pain self-reports and stopping all tasks led to high pain estimates; pain was estimated to be lowest when characters stopped disliked but continued with liked tasks. This combination was also rated least fair. Results support the use of social contract theory as a theoretical framework to explore pain judgements.

  4. 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

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  6. 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.

  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. 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

  9. 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.

  10. 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 ...

  11. 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...

  12. 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

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

    International Nuclear Information System (INIS)

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

    1990-12-01

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

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

    Science.gov (United States)

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

    2018-04-01

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

  15. 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.

  16. The prediction of candidate genes for cervix related cancer through gene ontology and graph theoretical approach.

    Science.gov (United States)

    Hindumathi, V; Kranthi, T; Rao, S B; Manimaran, P

    2014-06-01

    With rapidly changing technology, prediction of candidate genes has become an indispensable task in recent years mainly in the field of biological research. The empirical methods for candidate gene prioritization that succors to explore the potential pathway between genetic determinants and complex diseases are highly cumbersome and labor intensive. In such a scenario predicting potential targets for a disease state through in silico approaches are of researcher's interest. The prodigious availability of protein interaction data coupled with gene annotation renders an ease in the accurate determination of disease specific candidate genes. In our work we have prioritized the cervix related cancer candidate genes by employing Csaba Ortutay and his co-workers approach of identifying the candidate genes through graph theoretical centrality measures and gene ontology. With the advantage of the human protein interaction data, cervical cancer gene sets and the ontological terms, we were able to predict 15 novel candidates for cervical carcinogenesis. The disease relevance of the anticipated candidate genes was corroborated through a literature survey. Also the presence of the drugs for these candidates was detected through Therapeutic Target Database (TTD) and DrugMap Central (DMC) which affirms that they may be endowed as potential drug targets for cervical cancer.

  17. Theoretical physics

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

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

  18. 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

  19. 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.

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

    Science.gov (United States)

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

    2006-09-01

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

  1. Voltammetry of ion transfer across a polarized room-temperature ionic liquid membrane facilitated by valinomycin: theoretical aspects and application.

    Science.gov (United States)

    Langmaier, Jan; Samec, Zdenek

    2009-08-01

    Cyclic voltammetry is used to investigate the transfer of alkali-metal cations, protons, and ammonium ions facilitated by the complex formation with valinomycin at the interface between an aqueous electrolyte solution and a room-temperature ionic liquid (RTIL) membrane. The membrane is made of a thin (approximately 112 microm) microporous filter impregnated with an RTIL that is composed of tridodecylmethylammonium cations and tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions. An extension of the existing theory of voltammetry of ion transfer across polarized liquid membranes makes it possible to evaluate the standard ion-transfer potentials for the hydrophilic cations studied, as well as the stability constants (K(i)) of their 1:1 complexes with valinomycin, as log K(i) = 9.0 (H(+)), 11.1 (Li(+)), 12.8 (Na(+)), 17.2 (K(+)), 15.7 (Rb(+)), 15.1 (Cs(+)), and 14.7 (NH(4)(+)). These data point to the remarkably enhanced stability of the valinomycin complexes within RTIL, and to the enhanced selectivity of valinomycin for K(+) over all other univalent ions studied, compared to the conventional K(+) ion-selective liquid-membrane electrodes. Selective complex formation allows one to resolve voltammetric responses of K(+) and Na(+) in the presence of an excess of Mg(2+) or Ca(2+), which is demonstrated by determination of K(+) and Na(+) in the table and tap water samples.

  2. Theoretical study of ion bunching for pellet fusion in self-consistent time dependent space charge fields

    International Nuclear Information System (INIS)

    Lu, P.C.

    1977-01-01

    The use of intense ion beams as a heating source for the fusion reaction in pellets of D-T appears to have several potential advantages over the use of electron beams. If ion bunching can be accomplished, then existing technology can be used to achieve the required power, energy and time scales for pellet fusion. A scheme to be considered is that of a pre-formed nonuniform plasma adjacent to a partially transparent anode through which a space charge limited electron beam is injected from the terminals of a convergent spherical geometry with a finite (or zero) rise-time. At the instant of beam injection, the virtual cathode is formed. Due to the space charge fields set up by the beam, the plasma ions are accelerated towards the region beyond the virtual cathode. A self-consistent transient analysis of the interactions between the electron beam and the background plasma is performed. The numerical calculations show that by specifying the target plasma for perfect bunching the ions can be made to bunch nearly perfectly. Also, by considering the depletion of initial plasma and accounting for the fact that the virtual anode-virtual cathode gap region is moving opposite to the direction of the ions, one can considerably enhance the instantaneous power delivered to the target over that which is injected at the terminals of the device, even with a finite rise-time on the current pulse

  3. 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...... 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....

  4. Paul Karl Feyerabend: The Projections of Theoretical Proliferation in the Relation Science-Metaphysics

    Directory of Open Access Journals (Sweden)

    María Teresa Gargiulo de Vázquez

    2015-05-01

    Full Text Available The Paul Karl Feyerabend’s doctrine of theoretical proliferation has been interpreted by his experts as an attempt to preserve the ideal of scientific progress. This hermeneutics describes, in part, the intention of our philosopher. However, this reading does not explain the fundamental criticism that theoretical pluralism supposes for Feyerabend. The theoretical proliferation is itself a reductio ad absurdum of the attempts of logical positivism and critical rationalism to define science at the expense of the metaphysical. This article presents the theoretical proliferation as a vindication of the positive role that the metaphysical plays in scientific practice. We expose the Feyerabend’s defense of metaphysics inasmuch as it is constitute the possibility to overcome the conceptual conservatism, to increase empirical content of science and to recover the descriptive value of scientific theories.

  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 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....

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

    International Nuclear Information System (INIS)

    Hamasha, Safeia; Alshaiub, Rania

    2012-01-01

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

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

    Science.gov (United States)

    Thiel, Charles Warren

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

  8. 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.

  9. 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.

  10. 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.

  11. Effects of increasing number of rings on the ion sensing ability of CdSe quantum dots: a theoretical study

    Science.gov (United States)

    Malik, Pragati; Kakkar, Rita

    2018-04-01

    A computational study on the structural and electronic properties of a special class of artificial atoms, known as quantum dots, has been carried out. These are semiconductors with unique optical and electronic properties and have been widely used in various applications, such as bio-sensing, bio-imaging, and so on. We have considered quantum dots belonging to II-VI types of semiconductors, due to their wide band gap, possession of large exciton binding energies and unique optical and electronic properties. We have studied their applications as chemical ion sensors by beginning with the study of the ion sensing ability of (CdSe) n ( n = 3, 6, 9 which are in the size range of 0.24, 0.49, 0.74 nm, respectively) quantum dots for cations of the zinc triad, namely Zn2+, Cd2+, Hg2+, and various anions of biological and environmental importance, and studied the effect of increasing number of rings on their ion sensing ability. The various structural, electronic, and optical properties, their interaction energies, and charge transfer on interaction with metal ions and anions have been calculated and reported. Our studies indicate that the CdSe quantum dots can be employed as sensors for both divalent cations and anions, but they can sense cations better than anions.

  12. 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

  13. 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.

  14. ions

    African Journals Online (AJOL)

    It was found that the theoretical level has an effect on the results about the .... the intensities of the vibration in IR spectra Ai, obtained using these four theoretical ...... GAMES version. 7.0, http://classic.chem.msu.su/gran/gamess/index.html.

  15. 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

  16. 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

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

    Science.gov (United States)

    Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

    2012-10-01

    This work presents a theoretical and spectroscopic study on the electronic and structural properties of the diphenyl-s-tetrazine molecule (Ph2Tz) and some oligomeric derivatives. Ph2Tz 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.

  18. 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

  19. A Statistical Thermodynamic Model for Ligands Interacting With Ion Channels: Theoretical Model and Experimental Validation of the KCNQ2 Channel

    Directory of Open Access Journals (Sweden)

    Fang Bai

    2018-03-01

    Full Text Available Ion channels are important therapeutic targets, and their pharmacology is becoming increasingly important. However, knowledge of the mechanism of interaction of the activators and ion channels is still limited due to the complexity of the mechanisms. A statistical thermodynamic model has been developed in this study to characterize the cooperative binding of activators to ion channels. By fitting experimental concentration-response data, the model gives eight parameters for revealing the mechanism of an activator potentiating an ion channel, i.e., the binding affinity (KA, the binding cooperative coefficients for two to four activator molecules interacting with one channel (γ, μ, and ν, and the channel conductance coefficients for four activator binding configurations of the channel (a, b, c, and d. Values for the model parameters and the mechanism underlying the interaction of ztz240, a proven KCNQ2 activator, with the wild-type channel have been obtained and revealed by fitting the concentration-response data of this activator potentiating the outward current amplitudes of KCNQ2. With these parameters, our model predicted an unexpected bi-sigmoid concentration-response curve of ztz240 activation of the WT-F137A mutant heteromeric channel that was in good agreement with the experimental data determined in parallel in this study, lending credence to the assumptions on which the model is based and to the model itself. Our model can provide a better fit to the measured data than the Hill equation and estimates the binding affinity, as well as the cooperative coefficients for the binding of activators and conductance coefficients for binding states, which validates its use in studying ligand-channel interaction mechanisms.

  20. 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

  1. Argumentation and Participation in the Primary Mathematics Classroom: Two Episodes and Related Theoretical Abductions

    Science.gov (United States)

    Krummheuer, Gotz

    2007-01-01

    The main assumption of this article is that learning mathematics depends on the student's participation in processes of collective argumentation. On the empirical level, such processes will be analyzed with Toulmin's theory of argumentation and Goffman's idea of decomposition of the speaker's role. On the theoretical level, different statuses of…

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

    International Nuclear Information System (INIS)

    Schmidt, J.B.

    1993-01-01

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

  3. 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.

  4. 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.

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

    Science.gov (United States)

    Schimmerling, W.; Curtis, S. B.

    1989-01-01

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

  6. 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.

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

    International Nuclear Information System (INIS)

    Moral, Mónica; García, Gregorio; Peñas, Antonio; Garzón, Andrés; Granadino-Roldán, José M.; Melguizo, Manuel; Fernández-Gómez, Manuel

    2012-01-01

    Highlights: ► We study properties of Ph 2 Tz and (PhTz) n Ph as candidates for organic electronics. ► The synthesis of Ph 2 Tz was performed through a modified Pinner-type reaction. ► IR/Raman spectra allowed to conclude that Ph 2 Tz is nearly planar in liquid phase. ► Electronic structure was studied by UV–Vis/TD-DFT methods in different solvents. ► Bandgap, E 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 2 Tz) and some oligomeric derivatives. Ph 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.

  8. 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

  9. 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

  10. Dispersion relation of Raman FEL with helical Wiggler and ion channel

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  11. Gibbs energies of protonation and complexation of platinum and vanadate metal ions with naringenin and phenolic acids: Theoretical calculations associated with experimental values

    International Nuclear Information System (INIS)

    Fazary, Ahmed E.; Alshihri, Ayed S.; Alfaifi, Mohammad Y.; Saleh, Kamel A.; Elbehairi, Serag Eldin I.; Fawy, Khaled F.; Abd-Rabboh, Hisham S.M.

    2016-01-01

    Highlights: • The experimental thermodynamic equilibrium and stability constants of vanadium and platinum complexes involving naringin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined. • The theoretical calculations of the free energy changes associated with the ligand protonation, and metal ion–ligand complex formation equilibria using density function theory calculations, providing a complete picture of the microscopic equilibria of the studied complex systems. - Abstract: The Experimental thermodynamic equilibrium (pK_a values) and stability (log β) constants of vanadium and platinum binary and mixed ligand complexes involving naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid were determined at 310.15 K in 0.16 mol·dm"−"3 KCl aqueous solutions using pH-potentiometric technique and by means of two estimation models (HYPERQUAD 2008 and Bjerrum–Calvin). The theoretical calculations of overall protonation and stability constants of the metal complex species in solution were predicted as the free energy change associated with the ligand protonation, and metal ion–ligand complex formation equilibria (species solvation/de-solvation) using ab initio and density function theory (DFT) calculations. The usage of the experimental potentiometry technique and theoretical predictions provides a complete picture of the microscopic equilibria of the studied systems (vanadium/platinum–naringenin–phenolic acid). Specifically, this theoretically DFT predications would be useful to determine the most real protonation constants of the studied bioligands in which the binding sites changes due to the ligand protonation/deprotonation equilibria. Also, the complexing capacities of vanadium and platinum towards naringenin, ferulic acid, p-coumaric acid, caffeic acid, vanillic acid, sinapic acid, and gallic acid in solutions were evaluated and discussed. From the

  12. Theoretical explanation of EPR parameters for Cu{sup 2+} ion in TiO{sub 2} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Dong, H.N. [Institute of Applied Physics and College of Electronic Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016 (China); Wu, S.Y. [International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110016 (China); Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Li, P. [Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong (China)

    2004-07-01

    The EPR parameters anisotropic g-factors g{sub x}, g{sub y} and g{sub z} for Cu{sup 2+} ion and hyperfine structure constants A{sub x}, A{sub y} and A{sub z} for {sup 63}Cu{sup 2+} and {sup 65}Cu{sup 2+} isotopes in rutile (TiO{sub 2}) crystal are calculated by the method of diagonalizing the full Hamiltonian matrix. The crystal-field parameters contact with the crystal structure by the aid of the superposition model. The calculated results are in reasonable agreement with the observed values. The results are discussed. (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Theoretical study on the laser-driven ion-beam trace probe in toroidal devices with large poloidal magnetic field

    Science.gov (United States)

    Yang, X.; Xiao, C.; Chen, Y.; Xu, T.; Yu, Y.; Xu, M.; Wang, L.; Wang, X.; Lin, C.

    2018-03-01

    Recently, a new diagnostic method, Laser-driven Ion-beam Trace Probe (LITP), has been proposed to reconstruct 2D profiles of the poloidal magnetic field (Bp) and radial electric field (Er) in the tokamak devices. A linear assumption and test particle model were used in those reconstructions. In some toroidal devices such as the spherical tokamak and the Reversal Field Pinch (RFP), Bp is not small enough to meet the linear assumption. In those cases, the error of reconstruction increases quickly when Bp is larger than 10% of the toroidal magnetic field (Bt), and the previous test particle model may cause large error in the tomography process. Here a nonlinear reconstruction method is proposed for those cases. Preliminary numerical results show that LITP could be applied not only in tokamak devices, but also in other toroidal devices, such as the spherical tokamak, RFP, etc.

  14. 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

  15. 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

  16. Resonance cones below the ion cyclotron frequency: theory and experiment

    International Nuclear Information System (INIS)

    Bellan, P.

    1976-03-01

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

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

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  18. 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

  19. 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

  20. 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

  1. Reactions of N+ ions with ethylene: a theoretical study on the addition mechanism into the olefin double bond

    International Nuclear Information System (INIS)

    Di Stefano, Marco; Rosi, Marzio; Sgamellotti, Antonio

    2004-01-01

    The potential energy surface of the reaction between ethylene molecules and N + ions is investigated by using the DFT hybrid functional B3LYP with the 6-31G* basis set. The addition channel leading to the intermediate C 2 NH 4 + is considered. We study eighteen structures of the triplet C 2 NH 4 + cations and the transition states for their isomerizations. Then, we consider the release of a H atom to form the doublet C 2 NH 3 + cations. To obtain more accurate values of reaction energetics and barrier heights, coupled cluster CCSD(T) calculations with the 6-311G** basis set are performed on the B3LYP/6-31G* optimized geometries. The addition of N + into C 2 H 4 is computed as a barrierless process leading to the triplet 1-aziridynil cation which, by ring opening, can easily evolve into the 2-azaallyl isomer. This species can then release a hydrogen atom to form the 2-azaallene cation, process that is computed to be the most likely channel

  2. Large discrepancies observed in theoretical studies of ion-impact ionization of the atomic targets at large momentum transfer

    Science.gov (United States)

    Ghorbani, Omid; Ghanbari-Adivi, Ebrahim

    2017-12-01

    A full quantum mechanical version of the three-body distorted wave-eikonal initial state (3DW-EIS) theory is developed to study of the single ionization of the atomic targets by ion impact at different momentum transfers. The calculations are performed both with and without including the internuclear interaction in the transition amplitude. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s2 ) and 24 \\text{Mev} \\text{O}8+\\text{-Li}~(2s ) collisions, the emission of the active electron into the scattering plane is considered and the fully differential cross-sections (FDCSs) are calculated for a fixed value of the ejected electron energy and a variety of momentum transfers. For both the specified collision systems, the obtained results are compared with the experimental data and with the cross-sections obtained using the semi-classical continuum distorted wave-eikonal initial state (CDW-EIS) approach. For 16 \\text{Mev} \\text{O}7+ \\text{-He}~(1s^2) , we also compared the results with those of a four-body three-Coulomb-wave (3CW) model. In general, we find some large discrepancies between the results obtained by different theories. These discrepancies are much more significant at larger momentum transfers. Also, for some ranges of the electron emission angles the results are much more sensitive to the internuclear interaction to be either turned on or off.

  3. 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.

  4. Theoretical model of ruminant adipose tissue metabolism in relation to the whole animal.

    Science.gov (United States)

    Baldwin, R L; Yang, Y T; Crist, K; Grichting, G

    1976-09-01

    Based on theoretical considerations and experimental data, estimates of contributions of adipose tissue to energy expenditures in a lactating cow and a growing steer were developed. The estimates indicate that adipose energy expenditures range between 5 and 10% of total animal heat production dependent on productive function and diet. These energy expenditures can be partitioned among maintenance (3%), lipogenesis (1-5%) and lipolysis and triglyceride resynthesis (less thatn 1.0%). Specific sites at which acute and chronic effectors can act to produce changes in adipose function, and changes in adipose function produced by diet and during pregnancy, lactation and aging were discussed with emphasis being placed on the need for additional, definitive studies of specific interactions among pregnancy, diet, age, lactation and growth in producing ruminants.

  5. 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.

  6. Theoretical Perspectives on Issues and Interventions Related to Migrant Resettlement in Canada.

    Science.gov (United States)

    Toosi, Amy; Richter, Solina; Woytowich, Boris

    2017-05-01

    International migration has increased at a significant rate over the past several decades as many migrants relocate in the hope of finding better living conditions. Unfortunately, not all migrants realize their dreams but instead find themselves in poor living conditions and are less satisfied with their health and well-being. The purpose of this article is to explore the factors that influence the integration of migrants into a new culture through two theoretical lenses: transitions theory and acculturation theory. The authors propose that acculturation and transition are influenced by factors at both the societal and individual level and therefore interventions aimed at promoting successful integration should be focused at both those levels. This article adds a new perspective to the migrant health framework and offers a new approach for researchers, clinicians, and program developers. The overall health and well-being of migrants may improve by focusing on individual factors that contribute to successful settlement through predeparture or early arrival preparation programs.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-11-15

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

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

    International Nuclear Information System (INIS)

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

    2013-01-01

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

  9. Introduction to modern theoretical physics. Volume I. Classical physics and relativity

    International Nuclear Information System (INIS)

    Harris, E.G.

    1975-01-01

    The treatment covers vectors, tensors, and the structure of space, Newton's laws of motion and the law of gravitation, analytical mechanics, oscillatory motion, mechanics of a rigid body and of continuous media, classical fields, electromagnetic waves and radiation, the principle of relativity, relativistic electrodynamics and mechanics, general relativity theory and some of its consequences, and unified field theories and other modifications of the general theory of relativity

  10. Dynamic pain-emotion relations in chronic pain: a theoretical review of moderation studies

    NARCIS (Netherlands)

    Dima, A.L.; Gillanders, D.T.; Power, M.J.

    2013-01-01

    Current developments in chronic pain research are changing the focus in the study of pain-emotion relations from the identification of general patterns to the study of dynamic and context-related interactions manifesting both within and between individuals. This shift towards understanding variation

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

    DEFF Research Database (Denmark)

    Skaates, Maria Anne; Cova, Bernard

    2002-01-01

    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...... 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...

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

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  13. Making sense of all the conflict: a theoretical review and critique of conflict-related ERPs.

    Science.gov (United States)

    Larson, Michael J; Clayson, Peter E; Clawson, Ann

    2014-09-01

    Cognitive control theory suggests that goal-directed behavior is governed by a dynamic interplay between areas of the prefrontal cortex. Critical to cognitive control is the detection and resolution of competing stimulus or response representations (i.e., conflict). Event-related potential (ERP) research provides a window into the nature and precise temporal sequence of conflict monitoring. We critically review the research on conflict-related ERPs, including the error-related negativity (ERN), Flanker N2, Stroop N450 and conflict slow potential (conflict SP or negative slow wave [NSW]), and provide an analysis of how these ERPs inform conflict monitoring theory. Overall, there is considerable evidence that amplitude of the ERN is sensitive to the degree of response conflict, consistent with a role in conflict monitoring. It remains unclear, however, to what degree contextual, individual, affective, and motivational factors influence ERN amplitudes and how ERN amplitudes are related to regulative changes in behavior. The Flanker N2, Stroop N450, and conflict SP ERPs represent distinct conflict-monitoring processes that reflect conflict detection (N2, N450) and conflict adjustment or resolution processes (N2, conflict SP). The investigation of conflict adaptation effects (i.e., sequence or sequential trial effects) shows that the N2 and conflict SP reflect post-conflict adjustments in cognitive control, but the N450 generally does not. Conflict-related ERP research provides a promising avenue for understanding the effects of individual differences on cognitive control processes in healthy, neurologic and psychiatric populations. Comparisons between the major conflict-related ERPs and suggestions for future studies to clarify the nature of conflict-related neural processes are provided. Copyright © 2014 Elsevier B.V. All rights reserved.

  14. 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.

  15. 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.

  16. 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)

  17. 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

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

    International Nuclear Information System (INIS)

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

    1979-08-01

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

  19. 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

  20. 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

  1. 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…

  2. 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

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

    International Nuclear Information System (INIS)

    Dearnaley, G.

    1981-01-01

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

  4. 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

  5. [Relational Frame Theory--A Theoretical Framework for Contextual Behavioral Science].

    Science.gov (United States)

    Kensche, M; Schweiger, U

    2015-07-01

    Therapists have to deal with verbal systems and often work with verbal exchange. Therefore, a psychological theory is required, which teaches the therapist how to accomplish this task. The BRT is a theory of human language and cognition that explains how people use their verbal behavior as stimuli in their interrelations and how they act and react, based on the resulting relationships. This behavior is learned very early in the course of language acquisition and functions as a generalized operant. A prerequisite for this is the ability of people to undergo mental simulation. This enables them to construct diverse relational frameworks between individual stimuli. Without relational frameworks, people cannot function. The ability to establish a relational framework is a prerequisite for the formation of rule-governed behavior. Rule-governed behavior economizes complex decision processes, creates interpersonal security and enables dealing with events before they take place. On the other hand, the same properties that enable people to solve problems effectively can also contribute to rigid adherence to rules and experience avoidance. Relational frameworks, once established, outweigh other sources of behavioral regulation. Thus, it can become the basis of psychopathology. Poor contextual control makes it difficult for people to devote flexible, focused and voluntary attention to the present and align their actions with the immediate present. Contextual psychotherapy methods that are based on the BRT start precisely at this point: Targeted establishment of new contingencies in the therapeutic interaction through systematic strengthening of metacognitive mode and through the establishment of new rules that make possible a change in the rule-governed behavior enable undermining of dysfunctional rule-governed behavior and build up desirable behavior. This allows any therapeutic process to be more effective--regardless of the patient's expressed symptoms. © Georg Thieme

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

    Science.gov (United States)

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

    2013-09-10

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

  7. Theoretical Studies Relating to the Interaction of Radiation with Matter: Atomic Collision Processes Occurring in the Presence of Radiation Fields.

    Science.gov (United States)

    1980-10-01

    is" ikk32 (a(h(tOAI + Ca6 1 2 (t, , tA~f~ ( 3) 0 -d=IV + k) (4) Matrix element, of Hamsiltonian H are given by (a) (0, FIG. 1. Three-level’.systems...expressions for transition probabilities. The theoretical treatments are similar for the two problems. The relative nuclear motion is taken to be a...locked lasers. The present treatment assumes that the coupling between the intermediate state (Is) and the continuum is weak, implying that Nhifl is

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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).

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

    KAUST Repository

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

    2017-01-01

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

  15. 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.

  16. 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.

  17. A theoretical framework for strain-related trabecular bone maintenance and adaptation.

    Science.gov (United States)

    Ruimerman, R; Hilbers, P; van Rietbergen, B; Huiskes, R

    2005-04-01

    It is assumed that density and morphology of trabecular bone is partially controlled by mechanical forces. How these effects are expressed in the local metabolic functions of osteoclast resorption and osteoblast formation is not known. In order to investigate possible mechano-biological pathways for these mechanisms we have proposed a mathematical theory (Nature 405 (2000) 704). This theory is based on hypothetical osteocyte stimulation of osteoblast bone formation, as an effect of elevated strain in the bone matrix, and a role for microcracks and disuse in promoting osteoclast resorption. Applied in a 2-D Finite Element Analysis model, the theory explained the formation of trabecular patterns. In this article we present a 3-D FEA model based on the same theory and investigated its potential morphological predictability of metabolic reactions to mechanical loads. The computations simulated the development of trabecular morphological details during growth, relative to measurements in growing pigs, reasonably realistic. They confirmed that the proposed mechanisms also inherently lead to optimal stress transfer. Alternative loading directions produced new trabecular orientations. Reduction of load reduced trabecular thickness, connectivity and mass in the simulation, as is seen in disuse osteoporosis. Simulating the effects of estrogen deficiency through increased osteoclast resorption frequencies produced osteoporotic morphologies as well, as seen in post-menopausal osteoporosis. We conclude that the theory provides a suitable computational framework to investigate hypothetical relationships between bone loading and metabolic expressions.

  18. Object-related vs. narcissistic depression: a theoretical and clinical study.

    Science.gov (United States)

    Glazer, M W

    1979-01-01

    This paper has focused on the sense of helplessness as an essential component of a depressive reaction. By inference, a sense of mastery and ability to achieve goals seems essential for a sense of well-being. Both patients presented here revealed infantile fantasies that hampered their exercising this mastery, and the path to well-being was the analysis of these fantasies. The treatment plans differed, though, in the locus of the fantasies. In an object-related depression such as Mr. Janson's, the fantasy involved the inhbition of functioning--that is, the inability to express aggression--and the treatment aimed at removing the inhibition. In a narcissistic depression such as Miss Gaynor's, the helplessness was not due to inhibited functioning per se. Rather, her goals were unrealistic, unattainable, and based on unconscious fantasies. Here the aim of treatment was the development of more reality-adapted and attainable objectives and the concommitant internalization of a more realistic sense of her own worth. Thus the common denominator in both depressive reactions was a sense of helplessness, and the path toward increased self-esteem was by way of the development of a sense of mastery and competence.

  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. Damage related deep electron levels in ion implanted GaAs

    International Nuclear Information System (INIS)

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

    1986-01-01

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

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

    Science.gov (United States)

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

    2018-06-01

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

  3. 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...

  4. 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.

  5. 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.

  6. 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

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

    International Nuclear Information System (INIS)

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

    1981-01-01

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

  8. 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

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

    International Nuclear Information System (INIS)

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

    2001-01-01

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

  10. Theoretical Issues

    Energy Technology Data Exchange (ETDEWEB)

    Marc Vanderhaeghen

    2007-04-01

    The theoretical issues in the interpretation of the precision measurements of the nucleon-to-Delta transition by means of electromagnetic probes are highlighted. The results of these measurements are confronted with the state-of-the-art calculations based on chiral effective-field theories (EFT), lattice QCD, large-Nc relations, perturbative QCD, and QCD-inspired models. The link of the nucleon-to-Delta form factors to generalized parton distributions (GPDs) is also discussed.

  11. Experimental and theoretical study of two-proton and proton-deuteron correlations at very small relative momenta

    International Nuclear Information System (INIS)

    Martin, Lilian

    1993-01-01

    In this research thesis, the author first reports the analysis of light particle correlations by two theoretical approaches. The first one is the classical approximation of correlations: formulation, characteristics of the emitter nucleus and initial conditions, construction of the correlation function with notably the comparison with experimental proton-proton and proton-deuteron correlation functions measured in the 40 Ar + 108 Ag at 44 MeV/nucleon. The second one is the quantum approach of correlations: formulations, predictions of the quantum model with the same comparison as above. The second part addresses the measurement and analysis of the proton-proton correlation function at very small relative momenta: presentation of the studied reaction, description of the experiment (sensors, magnetic spectrometer, event recording), analysis of protons detected within the spectrometer) [fr

  12. Ion irradiation-induced diffusion in bixbyite-fluorite related oxides: Dislocations and phase transformation

    Energy Technology Data Exchange (ETDEWEB)

    Rolly, Gaboriaud, E-mail: Rolly.gaboriaud@univ-poitiers.fr [Institut Pprime, CNRS-University of Poitiers, SP2MI-BP 30179, 86962 Chasseneuil-Futuroscope (France); Fabien, Paumier [Institut Pprime, CNRS-University of Poitiers, SP2MI-BP 30179, 86962 Chasseneuil-Futuroscope (France); Bertrand, Lacroix [CSIC – University of Sevilla, Avenida Américo Vespucio, 49, 41092 Sevilla (Spain)

    2014-05-01

    Ion-irradiation induced diffusion and the phase transformation of a bixbyite-fluorite related rare earth oxide thin films are studied. This work is focused on yttrium sesquioxide, Y{sub 2}O{sub 3}, thin films deposited on Si (1 0 0) substrates using the ion beam sputtering technique (IBS). As-deposited samples were annealed ant then irradiated at cryogenic temperature (80 K) with 260 keV Xe{sup 2+} at different fluences. The irradiated thin oxide films are characterized by X-ray diffraction. A cubic to monoclinic phase transformation was observed. Analysis of this phenomenon is done in terms of residual stresses. Stress measurements as a function of irradiation fluences were realised using the XRD-sin{sup 2}ψ method. Stress evolution and kinetic of the phase transformation are compared and leads to the role-played by the nucleation of point and extended defects.

  13. Designed hybrid nanostructure with catalytic effect: beyond the theoretical capacity of SnO2 anode material for lithium ion batteries.

    Science.gov (United States)

    Wang, Ye; Huang, Zhi Xiang; Shi, Yumeng; Wong, Jen It; Ding, Meng; Yang, Hui Ying

    2015-03-17

    Transition metal cobalt (Co) nanoparticle was designed as catalyst to promote the conversion reaction of Sn to SnO2 during the delithiation process which is deemed as an irreversible reaction. The designed nanocomposite, named as SnO2/Co3O4/reduced-graphene-oxide (rGO), was synthesized by a simple two-step method composed of hydrothermal (1(st) step) and solvothermal (2(nd) step) synthesis processes. Compared to the pristine SnO2/rGO and SnO2/Co3O4 electrodes, SnO2/Co3O4/rGO nanocomposites exhibit significantly enhanced electrochemical performance as the anode material of lithium-ion batteries (LIBs). The SnO2/Co3O4/rGO nanocomposites can deliver high specific capacities of 1038 and 712 mAh g(-1) at the current densities of 100 and 1000 mA g(-1), respectively. In addition, the SnO2/Co3O4/rGO nanocomposites also exhibit 641 mAh g(-1) at a high current density of 1000 mA g(-1) after 900 cycles, indicating an ultra-long cycling stability under high current density. Through ex-situ TEM analysis, the excellent electrochemical performance was attributed to the catalytic effect of Co nanoparticles to promote the conversion of Sn to SnO2 and the decomposition of Li2O during the delithiation process. Based on the results, herein we propose a new method in employing the catalyst to increase the capacity of alloying-dealloying type anode material to beyond its theoretical value and enhance the electrochemical performance.

  14. Designed hybrid nanostructure with catalytic effect: beyond the theoretical capacity of SnO2 anode material for lithium ion batteries

    Science.gov (United States)

    Wang, Ye; Huang, Zhi Xiang; Shi, Yumeng; Wong, Jen It; Ding, Meng; Yang, Hui Ying

    2015-01-01

    Transition metal cobalt (Co) nanoparticle was designed as catalyst to promote the conversion reaction of Sn to SnO2 during the delithiation process which is deemed as an irreversible reaction. The designed nanocomposite, named as SnO2/Co3O4/reduced-graphene-oxide (rGO), was synthesized by a simple two-step method composed of hydrothermal (1st step) and solvothermal (2nd step) synthesis processes. Compared to the pristine SnO2/rGO and SnO2/Co3O4 electrodes, SnO2/Co3O4/rGO nanocomposites exhibit significantly enhanced electrochemical performance as the anode material of lithium-ion batteries (LIBs). The SnO2/Co3O4/rGO nanocomposites can deliver high specific capacities of 1038 and 712 mAh g−1 at the current densities of 100 and 1000 mA g−1, respectively. In addition, the SnO2/Co3O4/rGO nanocomposites also exhibit 641 mAh g−1 at a high current density of 1000 mA g−1 after 900 cycles, indicating an ultra-long cycling stability under high current density. Through ex-situ TEM analysis, the excellent electrochemical performance was attributed to the catalytic effect of Co nanoparticles to promote the conversion of Sn to SnO2 and the decomposition of Li2O during the delithiation process. Based on the results, herein we propose a new method in employing the catalyst to increase the capacity of alloying-dealloying type anode material to beyond its theoretical value and enhance the electrochemical performance. PMID:25776280

  15. Recoil ions

    International Nuclear Information System (INIS)

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

    1991-01-01

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

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

    DEFF Research Database (Denmark)

    Hawkins, C L; Davies, Michael Jonathan

    1997-01-01

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

  17. 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

  18. 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.

  19. 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

  20. 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.

  1. 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

    AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium-Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION ...PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) CENTRO DE INVESTIGACION EN MATERIALES AVANZADOS, S.C. AV. MIGUEL DE CERVANTES NO. 120 CHIHUAHUA, 31109 MX 8...52-81-1156-0812 Organization / Institution name Centro de Investigacion en Materiales Avanzados, S.C. Grant/Contract Title The full title of the

  2. 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

    AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium-Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION ...AND ADDRESS(ES) CENTRO DE INVESTIGACION EN MATERIALES AVANZADOS, S.C. AV. MIGUEL DE CERVANTES NO. 120 CHIHUAHUA, 31109 MX 8. PERFORMING ORGANIZATION...1156-0812 Organization / Institution name Centro de Investigacion en Materiales Avanzados, S.C. Grant/Contract Title The full title of the funded

  3. Linear and nonlinear physics of the magnetoacoustic cyclotron instability of fusion-born ions in relation to ion cyclotron emission

    Energy Technology Data Exchange (ETDEWEB)

    Carbajal, L., E-mail: L.Carbajal-Gomez@warwick.ac.uk; Cook, J. W. S. [Centre for Fusion, Space and Astrophysics, Department of Physics, The University of Warwick, Coventry CV4 7AL (United Kingdom); Dendy, R. O. [EURATOM/CCFE Fusion Association, Culham Science Centre, Abingdon OX14 3DB, Oxfordshire (United Kingdom); Centre for Fusion, Space and Astrophysics, Department of Physics, The University of Warwick, Coventry CV4 7AL (United Kingdom); Chapman, S. C. [Centre for Fusion, Space and Astrophysics, Department of Physics, The University of Warwick, Coventry CV4 7AL (United Kingdom); Department of Mathematics and Statistics, University of Tromsø, N-9037, Tromsø (Norway); Max Planck Institute for the Physics of Complex Systems, D-01187, Dresden (Germany)

    2014-01-15

    The magnetoacoustic cyclotron instability (MCI) probably underlies observations of ion cyclotron emission (ICE) from energetic ion populations in tokamak plasmas, including fusion-born alpha-particles in JET and TFTR [Dendy et al., Nucl. Fusion 35, 1733 (1995)]. ICE is a potential diagnostic for lost alpha-particles in ITER; furthermore, the MCI is representative of a class of collective instabilities, which may result in the partial channelling of the free energy of energetic ions into radiation, and away from collisional heating of the plasma. Deep understanding of the MCI is thus of substantial practical interest for fusion, and the hybrid approximation for the plasma, where ions are treated as particles and electrons as a neutralising massless fluid, offers an attractive way forward. The hybrid simulations presented here access MCI physics that arises on timescales longer than can be addressed by fully kinetic particle-in-cell simulations and by analytical linear theory, which the present simulations largely corroborate. Our results go further than previous studies by entering into the nonlinear stage of the MCI, which shows novel features. These include stronger drive at low cyclotron harmonics, the re-energisation of the alpha-particle population, self-modulation of the phase shift between the electrostatic and electromagnetic components, and coupling between low and high frequency modes of the excited electromagnetic field.

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

    Science.gov (United States)

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

    2015-06-05

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

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

    Science.gov (United States)

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

    2018-01-11

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

  6. 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.

  7. 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)

  8. 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

  9. 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)

  10. 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

  11. Theoretical investigation of structure and stability of molecules and ions HAO2, HAS2, HSAO and HOAS with 16 valent electrons (A = B, Al, C+, Si+)

    International Nuclear Information System (INIS)

    Zyubina, T.S.; Charkin, O.P.

    1991-01-01

    Using several basic sets and taking into consideration electron correlation in the framework of MP3 approximation, non-empiric calculations of the structure and stability of HAO 2 , HAS 2 , HOAS, HSAO molecules and ions with 16 valent electrons (A = B, Al, C + , Si + ) were made. Similarity of OAS, AO 2 , AS 2 (A = B - , Al - , C, Si) molecules and ions to proton was ascertained

  12. Heavy-ion optical potential for sub-barrier fusion deduced from a dispersion relation

    International Nuclear Information System (INIS)

    Kim, B.T.; Kim, H.C.; Park, K.E.

    1988-01-01

    The heavy-ion energy-dependent optical potentials for the 16 O+ 208 Pb system are deduced from a dispersion relation. These potentials are used to analyze the elastic scattering, fusion, and spin distributions of compound nuclei for the system in a unified way based on the direct reaction theory. It turns out that the energy dependence of the optical potential is essential in explaining the data at near- and sub-barrier energies. The real part of the energy-dependent optical potential deduced was also used in calculating the elastic and fusion cross sections by the conventional barrier penetration model using an incoming wave boundary condition. The predictions of the elastic scattering, fusion cross sections, and the spin distributions of compound nuclei are not satisfactory compared with those from the direct reaction approach. It seems to originate from the fact that this model neglects absorption around the Coulomb barrier region

  13. Study on relations between heavy ions single event upset cross sections and γ accumulated doses

    International Nuclear Information System (INIS)

    He Chaohui; Geng Bin; Wang Yanping; Peng Honglun; Yang Hailiang; Chen Xiaohua; Li Guozheng

    2002-01-01

    Experiments were done under 252 Cf and 60 Co γ source to study the relation between heavy ion Single Event Upset (SEU) cross sections and γ accumulated doses. There was no obvious rule and little influence of γ accumulated doses on SEU cross sections when Static Random Access Memories were in power off mode and static power on mode. In active measuring mode, the SEU cross section increased as the accumulated doses increasing when same data were written in memory cells. If reverse data, such as '55' and 'AA', were written in memory cells during the experiment, the SEU cross sections decreased to the level when memories were not irradiated under 60 Co γ source, even more small. It implied that the influence of γ accumulated doses on SEU cross sections can be set off by this method

  14. 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.

  15. 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.

  16. Overview. Department of Theoretical Physics. Section 4

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-12-31

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

  17. Overview. Department of Theoretical Physics. Section 4

    International Nuclear Information System (INIS)

    Kwiecinski, J.

    1995-01-01

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

  18. 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.

  19. Theoretical investigations of the optical and EPR spectra for trivalent cerium and ytterbium ions in orthorhombic YF{sub 3} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Hong-Gang, E-mail: kezhouliu@163.com; Zheng, Wen-Chen

    2016-09-01

    The optical spectra and electron paramagnetic resonance (EPR) parameters (g factors and hyperfine structure constants A) for trivalent cerium and ytterbium ions in YF{sub 3} crystal with orthorhombic structure are investigated together by the complete diagonalization (of energy matrix) method (CDM). The obtained results are in reasonable agreement with the experimental ones. More importantly, two magnetically nonequivalent centers in YF{sub 3} crystal observed in EPR experiments are confirmed and ascribed to their specific positions in a unit cell by our calculations based on superposition model (SPM) analysis. Such identification of local sites with different magnetic properties would help us to understand not only the EPR spectra and magnetic susceptibility of other lanthanide ions doped in crystals with the same structure as YF{sub 3} but also the energy transfer scheme between two lanthanide ions occupying such two sites. All results are discussed carefully.

  20. Unification of Theoretical Models of Academic Self-Concept/Achievement Relations: Reunification of East and West German School Systems after the Fall of the Berlin Wall

    Science.gov (United States)

    Marsh, Herbert W.; Koller, Olaf

    2004-01-01

    Longitudinal data (five waves) from large cohorts of 7th grade students in East Germany ("n"=2,119) and West Germany ("n"=1,928) were collected from the start of the reunification of the school systems following the fall of the Berlin Wall. Here we integrate the two major theoretical models of relations between academic…

  1. The Relative Effectiveness of the Use of Static and Dynamic Mechanical Models in Teaching Elementary School Children the Theoretical Concept--The Particle Nature of Matter.

    Science.gov (United States)

    Ziegler, Robert Edward

    This study is concerned with determining the relative effectiveness of a static and dynamic theoretical model in teaching elementary school students to use the particle idea of matter when explaining certain physical phenomena. A clinical method of personal individual interview-testing, teaching, and retesting of a random sample population from…

  2. 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.

  3. Theoretical study of the mechanism of formation of a chemical bond between two ions: A+ and B+. Application to CO++. Interpretation of N2O++ photo-dissociation mechanisms

    International Nuclear Information System (INIS)

    Levasseur, Nathalie

    1989-01-01

    This research thesis reports the theoretical study of the mechanism of formation of a chemical bond between two positively charged species, within the frame of the valence-bond theory and in the CO model case. The analysis in terms of orthogonal and non orthogonal orbitals leads to two very different interpretations, and allows potential curves of doubly charged diatomic ions to be simply explained, the generally evoked model to be put into question again, and a predictive model to be developed. The theoretical determination of N 2 O potential energy surfaces and of the first states of N 2 O ++ ( 3 Σ - , 1 Δ, 1 Σ + et 3 Π) allowed experimental results of N 2 O ++ photo-dissociation to be at least qualitatively understood and interpreted. Moreover, the study of electronic configurations involved in dissociation, showed that the model elaborated for a diatomic molecule is also valid for a triatomic system [fr

  4. Theoretical Physics 1. Theoretical Mechanics

    International Nuclear Information System (INIS)

    Dreizler, Reiner M.; Luedde, Cora S.

    2010-01-01

    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. (orig.)

  5. Theoretical Physics 1. Theoretical Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Dreizler, Reiner M.; Luedde, Cora S. [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik

    2010-07-01

    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. (orig.)

  6. 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)

  7. Determination of the formation constant for the inclusion complex between Lanthanide ions and Dansyl chloride derivative by fluorescence spectroscopy: Theoretical and experimental investigation

    Science.gov (United States)

    Riahi, Siavash; Ganjali, Mohammad Reza; Hariri, Maryam; Abdolahzadeh, Shaghayegh; Norouzi, Parviz

    2009-09-01

    In this paper, a sensitive, easy, efficient, and suitable method for the calculation of Kf values of complexation between one derivative of Dansyl chloride [5-(dimethylamino) naphthalene-1-sulfonyl 4-phenylsemicarbazide] (DMNP) and Lanthanide(III) (Ln) ions is proposed, using both spectrofluorometric and spectrophotometric methods. Determination of Kf showed that DMNP was mostly selective towards the erbium (III) ion. The validity of the method was also confirmed calculating the Stern-Volmer fluorescence quenching constants ( Ksv) that resulted in the same consequence, obtained by calculating the Kf of complexation values. In addition, the UV-vis spectroscopy was applied for the determination of Kf only for the Ln ions that had interactions with DMNP. Finally, the DFT studies were done on Er 3+ and the DMNP complex for distinguishing the active sites and estimating the pair wise interaction energy. It can be concluded that this derivative of Dansyl chloride with inherent high fluorescence intensity is a suitable reagent for the selective determination of the Er 3+ ion which can be used in constructing selective Er 3+ sensors.

  8. Theoretical Treatment of Degenerate Electron Exchange and Dimerization in Spin Dynamics of Radical Ion Pairs as Observed by Magnetic Field Effects

    NARCIS (Netherlands)

    Ivanov, K.L.; Stass, D.V.; Kalneus, E.V.; Kaptein, R.; Lukzen, N.K.

    2013-01-01

    In this work we have compared manifestations of degenerate electron exchange (DEE) and dimerization reactions in MARY (magnetically affected reaction yield) spectroscopy and time-resolved magnetic field effects (TR-MFE) of radical ion pairs (RIPs). It is shown that dimerization results in phase and

  9. Expression of biomineralization-related ion transport genes in Emiliania huxleyi.

    Science.gov (United States)

    Mackinder, Luke; Wheeler, Glen; Schroeder, Declan; von Dassow, Peter; Riebesell, Ulf; Brownlee, Colin

    2011-12-01

    Biomineralization in the marine phytoplankton Emiliania huxleyi is a stringently controlled intracellular process. The molecular basis of coccolith production is still relatively unknown although its importance in global biogeochemical cycles and varying sensitivity to increased pCO₂ levels has been well documented. This study looks into the role of several candidate Ca²⁺, H⁺ and inorganic carbon transport genes in E. huxleyi, using quantitative reverse transcriptase PCR. Differential gene expression analysis was investigated in two isogenic pairs of calcifying and non-calcifying strains of E. huxleyi and cultures grown at various Ca²⁺ concentrations to alter calcite production. We show that calcification correlated to the consistent upregulation of a putative HCO₃⁻ transporter belonging to the solute carrier 4 (SLC4) family, a Ca²⁺/H⁺ exchanger belonging to the CAX family of exchangers and a vacuolar H⁺-ATPase. We also show that the coccolith-associated protein, GPA is downregulated in calcifying cells. The data provide strong evidence that these genes play key roles in E. huxleyi biomineralization. Based on the gene expression data and the current literature a working model for biomineralization-related ion transport in coccolithophores is presented. © 2011 Society for Applied Microbiology and Blackwell Publishing Ltd.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. Improvements in or relating to the deflection of ion beams by electrostatic mirror apparatus

    International Nuclear Information System (INIS)

    Freeman, J.H.

    1980-01-01

    An electrostatic mirror apparatus is described for the deflection of positive ion beams. It is claimed that with this apparatus, ion beams of intensity greater than 100 microamps in an electromagnetic separator have been turned through 90 0 and it has been observed that high beam currents can cause the ion beam to 'blow up' (i.e. expand) as it enters the mirror space and then be focused down on exit to a beam narrower than that incident upon the mirror apparatus. (U.K.)

  17. 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

  18. 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

  19. Ion acoustic waves and related plasma observations in the solar wind

    International Nuclear Information System (INIS)

    Gurnett, D.A.; Marsch, E.; Pilipp, W.; Schwenn, R.; Rosenbauer, H.

    1979-01-01

    This paper presents an investigation of solar wind ion acoustic waves and their relationship to the macroscopic and microscopic characteristics of the solar wind plasma. Comparisons with the overall solar wind corotational structure show that the most intense ion acoustic waves usually occur in the low-velocity regions ahead of high-speed solar wind streams. Of the detailed plasma parameters investigated, the ion acoustic wave intensities are found to be most closely correlated with the electron to proton temperature ratio T/sub e//T/sub p/ and with the electron heat flux. Investigations of the detailed electron and proton distribution functions also show that the ion acoustic waves usually occur in regions with highly non-Maxwellian distributions characteristic of double-proton streams. The distribution functions for the double-proton streams are usually not resolved into two clearly defined peaks, but rather they appear as a broad shoulder on the main proton distribution. Two main mechanisms, an electron heat flux instability and a double-ion beam instability, are considered for generating the ion-acoustic-like waves observed in the solar wind. Both mechanisms have favorable and unfavorable features. The electron heat flux mechanism can account for the observed waves at moderate to large ratios of T/sub e//T/sub p/ but has problems when T/sub e//T/sub p/ is small, as sometimes occurs. The ion beam instability appears to provide more flexibility on the T/sub e//T/sub p/ ratio; however detailed comparisons using observed distribution functions indicate that the ion beam mode is usually stable. Possible resolutions of these difficulties are discussed

  20. A short review of theoretical and empirical models for characterization of optical materials doped with the transition metal and rare earth ions

    Science.gov (United States)

    Su, P.; Ma, C.-G.; Brik, M. G.; Srivastava, A. M.

    2018-05-01

    In this paper, a brief retrospective review of the main developments in crystal field theory is provided. We have examined how different crystal field models are applied to solve the problems that arise in the spectroscopy of optically active ions. Attention is focused on the joint application of crystal field and density functional theory (DFT) based models, which takes advantages of strong features of both individual approaches and allows for obtaining a complementary picture of the electronic properties of a doped crystal with impurity energy levels superimposed onto the host band structure.

  1. Uptake and translocation of labelled iodide ion in privet (Ligustrum vulgare L. ) as related to its defoliating activity

    Energy Technology Data Exchange (ETDEWEB)

    Marczynski, S; Jankiewicz, L S [Szkola Glowna Gospodarstwa Wiejskiego, Warsaw (Poland)

    1978-01-01

    The /sup 131/J/sup -/ ion applied as KJ solution to lanolin ring on the leaf moved quickly to other parts of the leaf, however, it was transported to the stem and axillary bud in small amount. The /sup 131/J/sup -/ ion from potassium iodide was absorbed very fast by privet (Ligustrum vulgare L.). By 45 min after treatment about half of the applied ion was absorbed. This result was also confirmed in field experiments with non labelled KJ with privet and with SpiraeaXbumalda cv. Froebelii during 2 year experiments. In the conditions of high air humidity (95% r.h.) much more K/sup 131/J was absorbed than at low air humidity (50% r.h.) at the same temperature (23/sup 0/). Also at a relatively high temperature (23/sup 0/) the uptake was more intensive than at a low temperature (4/sup 0/), at the same air humidity (95% r.h.).

  2. Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of International Energies of Amino Acid Side Chains with Selected Transsition Metal Ions (Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , and Hg 2+ )

    Czech Academy of Sciences Publication Activity Database

    Rulíšek, Lubomír; Havlas, Zdeněk

    2000-01-01

    Roč. 122, č. 42 (2000), s. 10428-10439 ISSN 0002-7863 R&D Projects: GA ČR GA203/98/0650; GA AV ČR IAA4055801 Institutional research plan: CEZ:AV0Z4055905 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 6.025, year: 2000

  3. Experimental and Theoretical Study of the Movement of the Wpd Flexible Loop of Human Protein Tyrosine Phosphatase PTP1B in Complex with Halide Ions

    Science.gov (United States)

    Katz, Aline; Saenz-Méndez, Patricia; Cousido-Siah, Alexandra; Podjarny, Alberto D.; Ventura, Oscar N.

    2012-11-01

    Protein tyrosine phosphorylation is a post-translational modification mechanism, crucial for the regulation of nearly all aspects of cell life. This dynamic, reversible process is regulated by the balanced opposing activity of protein tyrosine kinases and protein tyrosine phosphatases. In particular, the protein tyrosine phosphatase 1B (PTP1B) is implicated in the regulation of the insulin-receptor activity, leptin-stimulated signal transduction pathways and other clinically relevant metabolic routes, and it has been found overexpressed or overregulated in human breasts, colon and ovary cancers. The WPD loop of the enzyme presents an inherent flexibility, and it plays a fundamental role in the enzymatic catalysis, turning it into a potential target in the design of new efficient PTP1B inhibitors. In order to determine the interactions that control the spatial conformation adopted by the WPD loop, complexes between the enzyme and halide ions (Br- and I- in particular) were crystallized and their crystallographic structure determined, and the collective movements of the aforementioned complexes were studied through Molecular Dynamics (MD) simulations. Both studies yielded concordant results, indicating the existence of a relationship between the identity of the ion present in the complex and the strength of the interactions it establishes with the surrounding protein residues.

  4. 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...

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

    International Nuclear Information System (INIS)

    Sone, Kazuho; Shiraishi, Kensuke

    1975-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Sone, K; Shiraishi, K

    1975-04-01

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

  7. Theoretical calculation of the spectra, the EPR g-factors and the magnetic susceptibilities of Cu2+ ion in Cs2CuCl4

    International Nuclear Information System (INIS)

    Shuen Wei Li.

    1991-08-01

    The crystal-field and spin-orbit matrix for d 1 or d 9 configuration with D 2 symmetry has been derived. By diagonalizing the matrix, the energy level of C 2+ u in Cs 2 CuCl 4 and its eigenfunctions have been obtained with the aid of the approximate SCF d-orbit. Furthermore, by suing the eigenfunctions, the EPR g-factors and the magnetic susceptibilities at different temperatures have been calculated. The calculated results are in good agreement with the experimental findings. The calculation only needs two adjustable parameters and can give more theoretical results than those of previous work which introduced 11 adjustable parameters. (author). 16 refs, 3 tabs

  8. 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 "2σ"+, "2σ and "2δ 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Shirakata, Hikari [Department of Cosmosciences, Graduate School of Science, Hokkaido University, Sapporo (Japan); Kawaguchi, Toshihiro [Department of Economics, Management and Information Science, Onomichi City University, Onomichi (Japan); Okamoto, Takashi [Department of Cosmosciences, Graduate School of Science, Hokkaido University, Sapporo (Japan); Makiya, Ryu [Kavli Institute for the Physics and Mathematics of the Universe, Todai Institutes for Advanced Study, University of Tokyo, Kashiwa (Japan); Max-Planck-Institut fur Astrophysik, Garching (Germany); Ishiyama, Tomoaki [Institute of Management and Information Technologies, Chiba University, Chiba (Japan); Matsuoka, Yoshiki [Research Center for Space and Cosmic Evolution, Ehime University, Matsuyama (Japan); Nagashima, Masahiro [Faculty of Education, Bunkyo University, Koshigaya (Japan); Enoki, Motohiro [Faculty of Business Administration, Tokyo Keizai University, Kokubunji (Japan); Oogi, Taira [Kavli Institute for the Physics and Mathematics of the Universe, Todai Institutes for Advanced Study, University of Tokyo, Kashiwa (Japan); Kobayashi, Masakazu A. R., E-mail: shirakata@astro1.sci.hokudai.ac.jp [Faculty of Natural Sciences, National Institute of Technology, Kure College, Kure (Japan)

    2017-09-21

    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 10{sup 5}M{sub ⊙}, 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 10{sup 3}M{sub ⊙} or as randomly chosen value within a 10{sup 3-5}M{sub ⊙} 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.

  15. 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

  16. 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

  17. Use of heavy ion accelerators in fusion reactor-related radiation-damage studies

    International Nuclear Information System (INIS)

    Taylor, A.; Dobson, D.A.

    1974-01-01

    The heavy-ion accelerator has become an important tool in the study of the fundamentals of radiation damage in fission- and fusion-reactor materials. Present facilities for such studies within the Materials Science Division at Argonne National Laboratory are provided by two complementary accelerator systems. Examples of the work carried out are discussed

  18. 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.)

  19. 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.

  20. 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.

  1. 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.

  2. Experimental and theoretical investigation of the production of cations containing C-N bonds in the reaction of benzene with atomic nitrogen ions

    International Nuclear Information System (INIS)

    Di Stefano, Marco; Rosi, Marzio; Sgamellotti, Antonio; Ascenzi, Daniela; Bassi, Davide; Franceschi, Pietro; Tosi, Paolo

    2003-01-01

    In the last few years, astronomical spectra have revealed the presence of aromatic and polyaromatic molecules in extraterrestrial environments, near carbon stars, in molecular clouds and meteorites. Moreover, the recent observation of benzene in interstellar space has noticeably increased the interest in the entire class of molecules and in their chemical behavior. In this work, we have investigated the reaction between the benzene molecule and the atomic nitrogen cation and, in particular, the mechanisms by which the reactants are converted into cationic products containing at least one C-N bond, according to the general scheme C 6 H 6 +N + →H m C n N + +C x H y . We have measured the energy dependence of the cross section in a guided ion beam tandem mass spectrometer. Relevant stationary points of the potential energy surface have been studied by using the density functional theory hybrid functional B3LYP with the 6-31G* basis set. Thermochemical calculations, and the comparison with experimental results, allow us to distinguish between exoergic and endoergic processes and to obtain a detailed description of the reaction mechanisms. We show that aromatic hydrocarbons may be converted into organic-nitrogen compounds via the insertion of N + into the benzene ring and the formation of C-N bonds from C-C ring reactants

  3. Relating the 3D electrode morphology to Li-ion battery performance; a case for LiFePO4

    Science.gov (United States)

    Liu, Zhao; Verhallen, Tomas W.; Singh, Deepak P.; Wang, Hongqian; Wagemaker, Marnix; Barnett, Scott

    2016-08-01

    One of the main goals in lithium ion battery electrode design is to increase the power density. This requires insight in the relation between the complex heterogeneous microstructure existing of active material, conductive additive and electrolyte providing the required electronic and Li-ion transport. FIB-SEM is used to determine the three phase 3D morphology, and Li-ion concentration profiles obtained with Neutron Depth Profiling (NDP) are compared for two cases, conventional LiFePO4 electrodes and better performing carbonate templated LiFePO4 electrodes. This provides detailed understanding of the impact of key parameters such as the tortuosity for electron and Li-ion transport though the electrodes. The created hierarchical pore network of the templated electrodes, containing micron sized pores, appears to be effective only at high rate charge where electrolyte depletion is hindering fast discharge. Surprisingly the carbonate templating method results in a better electronic conductive CB network, enhancing the activity of LiFePO4 near the electrolyte-electrode interface as directly observed with NDP, which in a large part is responsible for the improved rate performance both during charge and discharge. The results demonstrate that standard electrodes have a far from optimal charge transport network and that significantly improved electrode performance should be possible by engineering the microstructure.

  4. 3-Amino-1,2,4-triazolium ion in [24(3at)]Cl and [24(3at)]2SnCl6·H2O. Comparative X-ray, vibrational and theoretical studies

    Science.gov (United States)

    Daszkiewicz, Marek; Marchewka, Mariusz K.

    2012-09-01

    Crystal structures of 3-amino-1,2,4-triazolium chloride and bis(3-amino-1,2,4-triazolium) hexachloridostannate monohydrate were determined by means of X-ray single crystal diffraction. The route of protonation of organic molecule and tautomer equilibrium constants for the cationic forms were calculated using B3LYP/6-31G* method. The most stable protonated species is 2,4-H2-3-amino-1,2,4-triazolium ion, 24(3at)+. Very good agreement between theoretical and experimental frequencies was achieved due to very weak interactions existing in studied compounds. Significantly weaker intermolecular interactions are found in [24(3at)]2SnCl6·H2O than in [24(3at)]Cl. The differences in strength of interactions are manifested in red and blue shifts for stretching and bending motions, respectively. PED calculations show that for 24(3at)+ ion the stretching type of motion of two Nringsbnd H bonds is independent, whereas bending is coupled.

  5. Theoretical investigation of the relative stability of Na{sup +}He{sub n} (n = 2–24) clusters: Many-body versus delocalization effects

    Energy Technology Data Exchange (ETDEWEB)

    Issaoui, Noureddine, E-mail: issaoui-noureddine@yahoo.fr; Abdessalem, Kawther; Ghalla, Houcine [Faculty of Sciences, Quantum Physics Laboratory, University of Monastir, Monastir 5079 (Tunisia); Yaghmour, Saud Jamil [Faculty of Science, King Abdul-Aziz University, Jeddah (Saudi Arabia); Calvo, Florent [University of Grenoble Alpes, LIPHY, F-38000 Grenoble, France and CNRS, LIPHY, F-38000 Grenoble (France); Oujia, Brahim [Faculty of Sciences, Quantum Physics Laboratory, University of Monastir, Monastir 5079 (Tunisia); Faculty of Science, King Abdul-Aziz University, Jeddah (Saudi Arabia)

    2014-11-07

    The solvation of the Na{sup +} ion in helium clusters has been studied theoretically using optimization methods. A many-body empirical potential was developed to account for Na{sup +}–He and polarization interactions, and the most stable structures of Na{sup +}He{sub n} clusters were determined using the basin-hopping method. Vibrational delocalization was accounted for using zero-point energy corrections at the harmonic or anharmonic levels, the latter being evaluated from quantum Monte Carlo simulations for spinless particles. From the static perspective, many-body effects are found to play a minor role, and the structures obtained reflect homogeneous covering up to n = 10, followed by polyicosahedral packing above this size, the cluster obtained at n = 12 appearing particularly stable. The cationic impurity binds the closest helium atoms sufficiently to negate vibrational delocalization at small sizes. However, this snowball effect is obliterated earlier than shell completion, the nuclear wavefunctions of {sup 4}He{sub n}Na{sup +} with n = 5–7, and n > 10 already exhibiting multiple inherent structures. The decrease in the snowball size due to many-body effects is consistent with recent mass spectrometry measurements.

  6. 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...

  7. 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.

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

    OpenAIRE

    Rusmir Mrković; Munir Talović; Midhat Mekić; Eldin Jelešković; Haris Alić

    2011-01-01

    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...

  9. Imaging properties of scintillators for heavy-ion-beams and related model calculations

    International Nuclear Information System (INIS)

    Guetlich, Eiko

    2011-08-01

    This thesis is treating the imaging properties of scintillating screens for high-current ion beams as delivered by the UNILAC at the GSI Helmholtzzentrum fuer Schwerionenforschung in Darmstadt, Germany. Scintillating screens are mainly used to measure and rate the tansversal beam parameters in nearly every particle accelerator. During daily operation, scintillating screens can be used to determine and optimize the position of the beam inside the beam-pipe as well as the transversal intensity distribution. Although scintillating screens are widely used in many measurement systems, their imaging properties are not well characterized. Within the framework of this thesis, accelerator based experiments were planed and carried out which allowed to compare the results of beam profile measurements of the different materials with reference methods. Parameters such as the screen temperature and particle energies have been varied. Additionaly, possible image distortions within the optical system have been investigated. To determine the influence of the emission spectra of the screens onto the profile measurement a novel experimental setup for the spectroscopic investigations has been established. The setup allows to investigate the emission spectrum along one spatial axes on the beamspot. The investigations focus on ceramic materials such as zirconium oxide doped e.g. with Mg (ZrO 2 :Mg) or aluminium oxide (Al 2 O 3 ). The materials have been irradiated with different ion species (e.g. Calcium and Uranium) with kinetic energies of 4.8 MeV/u (10% c) and 11.4 MeV (15% c). The results for different parameters are discussed and interpreted. The measured beam profiles show dependences of four parameters: - The material itself. - The screen temperature. - The accumulated fluence [ (Ions)/(cm 2 )]. - The excitation density [(Electron-Hole-Pairs)/(cm 3 )], which is proportional to the dose rate [(J)/(kg . s)] within the volume element. Among the above, the last one depends on the

  10. Multicharged ion-induced emission from metal- and insulator surfaces related to magnetic fusion research

    Energy Technology Data Exchange (ETDEWEB)

    Winter, H.P. [Technische Univ., Vienna (Austria). Inst. fuer Allgemeine Physik

    1997-01-01

    The edge region of magnetically confined plasmas in thermonuclear fusion experiments couples the hot plasma core with the cold first wall. We consider the dependence of plasma-wall interaction processes on edge plasma properties, with particular emphasis on the role of slow multicharged ions (MCI). After a short survey on the physics of slow MCI-surface interaction we discuss recent extensive studies on MCI-induced electron emission from clean metal surfaces conducted at impact velocities << 1 a.u., from which generally reliable total electron yields can be obtained. We then demonstrate the essentially different role of the MCI charge for electron emission from metallic and insulator surfaces, respectively. Furthermore, we present recent results on slow MCI-induced `potential sputtering` of insulators which, in contrast to the well established kinetic sputtering, already occurs at very low ion impact energy and strongly increases with the MCI charge state. (J.P.N.). 55 refs.

  11. 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.

  12. [Application of classical isothermal adsorption models in heavy metal ions/ diatomite system and related problems].

    Science.gov (United States)

    Zhu, Jian; Wu, Qing-Ding; Wang, Ping; Li, Ke-Lin; Lei, Ming-Jing; Zhang, Wei-Li

    2013-11-01

    In order to fully understand adsorption nature of Cu2+, Zn2+, Pb2+, Cd2+, Mn2+, Fe3+ onto natural diatomite, and to find problems of classical isothermal adsorption models' application in liquid/solid system, a series of isothermal adsorption tests were conducted. As results indicate, the most suitable isotherm models for describing adsorption of Pb2+, Cd2+, Cu2+, Zn2+, Mn2+, Fe3+ onto natural diatomite are Tenkin, Tenkin, Langmuir, Tenkin, Freundlich and Freundlich, respectively, the adsorption of each ion onto natural diatomite is mainly a physical process, and the adsorption reaction is favorable. It also can be found that, when using classical isothermal adsorption models to fit the experimental data in liquid/solid system, the equilibrium adsorption amount q(e) is not a single function of ion equilibrium concentration c(e), while is a function of two variables, namely c(e) and the adsorbent concentration W0, q(e) only depends on c(e)/W(0). Results also show that the classical isothermal adsorption models have a significant adsorbent effect, and their parameter values are unstable, the simulation values of parameter differ greatly from the measured values, which is unhelpful for practical use. The tests prove that four-adsorption-components model can be used for describing adsorption behavior of single ion in nature diatomite-liquid system, its parameters k and q(m) have constant values, which is favorable for practical quantitative calculation in a given system.

  13. ‘It’s a can of worms’: understanding primary care practitioners’ behaviours in relation to HPV using the theoretical domains framework

    Directory of Open Access Journals (Sweden)

    McSherry Lisa A

    2012-08-01

    Full Text Available Abstract Background The relationship between infection with high-risk human papillomavirus (HPV and cervical cancer is transforming cervical cancer prevention. HPV tests and vaccinations have recently become available. In Ireland, as elsewhere, primary care practitioners play a key role in prevention. ATHENS (A Trial of HPV Education and Support aims to develop a theory-based intervention to support primary care practitioners in their HPV-related practice. This study, the first step in the intervention development process, aimed to: identify HPV-related clinical behaviours that the intervention will target; clarify general practitioners’ (GPs’ and practice nurses’ roles and responsibilities; and determine factors that potentially influence clinical behaviour. A secondary objective was to informally assess the utility of the Theoretical Domains Framework (TDF in understanding clinical behaviours in an area with an evolving evidence-base. Methods In-depth semi-structured telephone interviews were conducted with GPs and practice nurses. The topic guide, which contained open questions and HPV-related clinical scenarios, was developed through literature review and clinical experience. Interview transcripts were content-analysed using the TDF as the coding framework. Results 19 GPs and 14 practice nurses were interviewed. The major HPV-related clinical behaviours were: initiating a discussion about HPV infection with female patients; offering/recommending HPV vaccination to appropriate patients; and answering patients’ questions about HPV testing. While the responsibility for taking smears was considered a female role, both male and female practitioners dealt with HPV-related issues. All 12 theoretical domains arose in relation to HPV infection; the domains judged to be most important were: knowledge, emotion, social influences, beliefs about capabilities and beliefs about consequences. Eleven domains emerged in relation to HPV vaccination

  14. 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).

  15. 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

  16. Theoretical and experimental investigation of magnetic field related helium leak in helium vessel of a large superconducting magnet

    Science.gov (United States)

    Bhattachryya, Pranab; Gupta, Anjan Dutta; Dhar, S.; Sarma, P. R.; Mukherjee, Paramita

    2017-06-01

    The helium vessel of the superconducting cyclotron (SCC) at the Variable Energy Cyclotron centre (VECC), Kolkata shows a gradual loss of insulation vacuum from 10-7 mbar to 10-4 mbar with increasing coil current in the magnet. The insulation vacuum restores back to its initial value with the withdrawal of current. The origin of such behavior has been thought to be related to the electromagnetic stress in the magnet. The electromagnetic stress distribution in the median plane of the helium vessel was studied to figure out the possible location of the helium leak. The stress field from the possible location was transferred to a simplified 2D model with different leak geometries to study the changes in conductance with coil current. The leak rate calculated from the changes in the leak geometry was compared with the leak rate calculated from the experimental insulation vacuum degradation behavior to estimate the initial leak shape and size.

  17. 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.

  18. 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.

  19. How carryover has an effect on recovery measures related to the area under the curve: theoretical and experimental investigations using cardiovascular parameters.

    Science.gov (United States)

    Sawada, Yukihiro; Kato, Yuichi

    2011-03-01

    This study examines cardiovascular recovery from mental stress. Investigating the absence or presence of carryover effect, the effect of the final reactivity observed at the end of stressful task on the successive recovery, was the major objective. A recently advocated recovery measure related to the area under the curve, mean recovery rate (MRR), was investigated, comparing with the two relatives of this type, total carryover (TCO) and literally area under the curve (AUC). At the onset, a detailed theoretical formulation of each measure was carried out, starting from its original definition. It was predicted that MRR, but not TCO or AUC, could be free from the carryover effect. Next, 88 male students underwent a 5-min mental arithmetic during which blood pressure and heart rate were measured. Nearly all the theoretical predictions (i.e., 5/6 for the three recovery measures by two cardiovascular parameters) were supported by experimental data. There was only one exception: for heart rate, there was a proportional relationship even for MRR versus the final reactivity. Vagal rebound in the recovery period was conceived as the main contributor of this contradiction. The implications of these results for the understanding of future directions in recovery studies are discussed.

  20. Preferential solvation of single ions in mixed solvents: Part 1. New experimental approach and solvation of monovalent ions in methanol-water and acetonitrile-water mixture. Part 2. Theoretical computation and comparison with experimental data

    International Nuclear Information System (INIS)

    Rege, Aarti C.; Venkataramani, B.; Gupta, A.R.

    1999-06-01

    Preferential solvation of single ion solutions has been studied with Li + , Na + , K + and Ag +- forms of Dowex 50W resins of different cross-linkings in methanol-water and acetonitrile (AN)- water mixtures. The solvent uptake by this alkali metal ionic forms of Dowex 50W resins was studied in an isopiestic set-up using 2,4,6 and 8 m LiCl solutions in 11.0, 20.8, 44.3 and 70.2 % (w/w) methanol-water mixtures and that of Na +- and Ag +- forms using 14.6 to 94.3 % (w/w) AN - water mixtures. The solvent sorbed in the resin phase was extracted by Rayleigh-type distillation and analysed gas chromatographically. The data were analysed by the N s (mole fraction of the organic solvent in the resin phase) vs n t au (total solvent content in the resin phase) plots and separation factor, alpha(ratio of mole fraction of the solvents in the resin and solution phases) or N s vs m (molality in the resin phase) plots. The limiting values of these plots gave the composition of the solvent in the primary solvation shell around the single ion. The compositions of the primary solvation shell around Li + , Na + , and K + in methanol-water mixtures and Na + and Ag + in acetonitrile (AN) - water mixtures have been computed using Franks equation and the approach of Marcus and compared with the experimental results obtained with the above mentioned ionic forms of Dowex 50W resins in different mixed solvents. The experimental results for Li + showed good agreement with the values computed using Franks equation for all methanol-water composition. However, in the case of Na + and K + in methanol-water mixtures and Na + in AN-water mixtures, there was agreement only at lower organic solvent content and the Franks equation predicted higher values for the organic solvent in the primary solvation shell around the cation at higher organic solvent content as compared to experimental results

  1. A theoretical and experimental study on the molecular and electronic structures of artemisinin and related drug molecules

    International Nuclear Information System (INIS)

    Galasso, V.; Kovac, B.; Modelli, A.

    2007-01-01

    The equilibrium structures of artemisinin and a selection of its derivatives (potent antimalarial drugs) have been studied with the density functional theory ansatz B3LYP. Of the five rings of the artemisinin framework, it is only the pyranose ring B that exhibits a marked conformational flexibility, especially on addition of a pendant side chain at C-10. For the derivatives, the β isomer with the axial substituent group is found to be energetically more stable than the α isomer with the equatorial group. The assignment of the vibrational fundamentals has been supported by calculations on related model molecules and a normal coordinate analysis. This allows for a reliable characterization of the normal modes, mainly involving the peroxide linkage, in the claimed fingerprint region of 1,2,4-trioxanes. The electronic structures have also been studied by measuring and calculating significant features of the NMR, photoelectron and electron transmission spectra. In particular, a representative set of NMR chemical shifts and nuclear spin-spin coupling constants, obtained with DFT formalisms, compares favourably with experiment and fits expectation in terms of stereoelectronic effects of the vicinal oxygen lone pairs. Based on ab initio outer valence Green's function calculations, a consistent interpretation of the uppermost bands in the photoelectron spectra of artemisinin and derivatives has been advanced. The top ionization energies reflect a complex interaction of the various oxygen lone pair orbitals. Electron transmission spectroscopy is applied for the first time to compounds containing the peroxide bond and elucidates the empty level electronic structure of artemisinin and derivatives in the 0-6 eV energy range, with the support of MO calculations and comparison with the spectra of reference molecules. Electron attachment to the lowest-lying empty σ* MO, mainly localized on the O-O bridge, occurs at an energy (1.7 eV) exceptionally low for compounds not

  2. Relating system-to-CFD coupled code analyses to theoretical framework of a multi-scale method

    International Nuclear Information System (INIS)

    Cadinu, F.; Kozlowski, T.; Dinh, T.N.

    2007-01-01

    Over past decades, analyses of transient processes and accidents in a nuclear power plant have been performed, to a significant extent and with a great success, by means of so called system codes, e.g. RELAP5, CATHARE, ATHLET codes. These computer codes, based on a multi-fluid model of two-phase flow, provide an effective, one-dimensional description of the coolant thermal-hydraulics in the reactor system. For some components in the system, wherever needed, the effect of multi-dimensional flow is accounted for through approximate models. The later are derived from scaled experiments conducted for selected accident scenarios. Increasingly, however, we have to deal with newer and ever more complex accident scenarios. In some such cases the system codes fail to serve as simulation vehicle, largely due to its deficient treatment of multi-dimensional flow (in e.g. downcomer, lower plenum). A possible way of improvement is to use the techniques of Computational Fluid Dynamics (CFD). Based on solving Navier-Stokes equations, CFD codes have been developed and used, broadly, to perform analysis of multi-dimensional flow, dominantly in non-nuclear industry and for single-phase flow applications. It is clear that CFD simulations can not substitute system codes but just complement them. Given the intrinsic multi-scale nature of this problem, we propose to relate it to the more general field of research on multi-scale simulations. Even though multi-scale methods are developed on case-by-case basis, the need for a unified framework brought to the development of the heterogeneous multi-scale method (HMM)

  3. 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.

  4. 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.

  5. Protonation of caffeine: A theoretical and experimental study

    International Nuclear Information System (INIS)

    Bahrami, Hamed; Tabrizchi, Mahmoud; Farrokhpour, Hossein

    2013-01-01

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

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

    International Nuclear Information System (INIS)

    Shirakata, Hikari; Kawaguchi, Toshihiro; Okamoto, Takashi; Ishiyama, Tomoaki

    2017-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Shirakata, Hikari [Department of Cosmosciences, Graduate School of Science, Hokkaido University, Sapporo (Japan); Kawaguchi, Toshihiro [Department of Economics, Management and Information Science, Onomichi City University, Onomichi, Hiroshima (Japan); Okamoto, Takashi [Department of Cosmosciences, Graduate School of Science, Hokkaido University, Sapporo (Japan); Ishiyama, Tomoaki, E-mail: shirakata@astro1.sci.hokudai.ac.jp [Institute of Management and Information Technologies, Chiba University, Chiba (Japan)

    2017-09-12

    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.

  8. 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

  9. Theoretical physics

    International Nuclear Information System (INIS)

    Laval, G.

    1988-01-01

    The 1988 progress report of the theoretical Physics Center (Ecole Polytechnique, France), is presented. The research activities are carried out in the fields of the supersymmetry theory, the dynamic systems theory, the statistical mechanics, the plasma physics and the random media. Substantial improvements are obtained on dynamical system investigations. In the field theory, the definition of the Gross-Neveu model is achieved. However the construction of the non-abelian gauge theories and the conformal theories are the main research activities. Concerning Astrophysics, a three-dimensional gravitational code is obtained. The activities of each team, and the list of the published papers, congress communications and thesis are given [fr

  10. Transformation of alpha-tocopherol (vitamin E) and related chromanol model compounds into their phenoxonium ions by chemical oxidation with the nitrosonium cation.

    Science.gov (United States)

    Lee, Stephen B; Lin, Ching Yeh; Gill, Peter M W; Webster, Richard D

    2005-12-09

    [reaction: see text] Alpha-tocopherol (alpha-TOH), the main oil component making up vitamin E, and its nonnatural solid 6-hydroxy-2,2,5,7,8-pentamethylchroman and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid structurally related analogues were oxidized quantitatively with 2 mol equiv of NO+ SbF6(-) in CH3CN at 233 K to form phenoxonium cations (alpha-TO+ SbF6(-)) in a chemically reversible two-electron/one-proton process. Solution-phase infrared spectroscopy, 1H and 13C NMR spectroscopy, and corresponding theoretical calculations of the spectroscopic data using density-based and wave-function-based models support the identity of the remarkably stable phenoxonium cations. The presence of an oxygen atom in the para position to the hydroxyl group and the chromanol ring structure appear to be important factors in stabilization of the phenoxonium ions, which raises the interesting possibility that the cations play a crucial role in the mode of action of vitamin E in biological systems. Although the phenoxonium cations are reactive toward nucleophiles such as water, they may be moderately stable in the hydrophobic (lipophilic) environment where vitamin E is known to occur naturally.

  11. Physics of ion sputtering

    International Nuclear Information System (INIS)

    Robinson, M.T.

    1984-04-01

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

  12. Theoretical Mathematics

    Science.gov (United States)

    Stöltzner, Michael

    Answering to the double-faced influence of string theory on mathematical practice and rigour, the mathematical physicists Arthur Jaffe and Frank Quinn have contemplated the idea that there exists a `theoretical' mathematics (alongside `theoretical' physics) whose basic structures and results still require independent corroboration by mathematical proof. In this paper, I shall take the Jaffe-Quinn debate mainly as a problem of mathematical ontology and analyse it against the backdrop of two philosophical views that are appreciative towards informal mathematical development and conjectural results: Lakatos's methodology of proofs and refutations and John von Neumann's opportunistic reading of Hilbert's axiomatic method. The comparison of both approaches shows that mitigating Lakatos's falsificationism makes his insights about mathematical quasi-ontology more relevant to 20th century mathematics in which new structures are introduced by axiomatisation and not necessarily motivated by informal ancestors. The final section discusses the consequences of string theorists' claim to finality for the theory's mathematical make-up. I argue that ontological reductionism as advocated by particle physicists and the quest for mathematically deeper axioms do not necessarily lead to identical results.

  13. 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.

  14. 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.

  15. 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....

  16. 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)

  17. 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.

  18. THEORETICAL APPROACHES IN INTERNATIONAL RELATIONS ...

    African Journals Online (AJOL)

    plt

    Review, as this document is paramount to the current and future roles, functions and ...... security as a derivative concept and call for politicising security. .... keyed policy option, although the primary function of warfighting in defence of state.

  19. 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)

  20. WE-H-BRA-09: Application of a Modified Microdosimetric-Kinetic Model to Analyze Relative Biological Effectiveness of Ions Relevant to Light Ion Therapy Using the Particle Heavy Ion Transport System

    Energy Technology Data Exchange (ETDEWEB)

    Butkus, M [Yale-New Haven Hospital, New Haven, CT (United States); Palmer, T [Oregon State University, Corvallis, OR (United States)

    2016-06-15

    Purpose: To evaluate the dose and biological effectiveness of various ions that could potentially be used for actively scanned particle therapy. Methods: The PHITS Monte Carlo code paired with a microscopic analytical function was used to determine probability distribution functions of the lineal energy in 0.3µm diameter spheres throughout a water phantom. Twenty million primary particles for 1H beams and ten million particles for 4He, 7Li, 10B, 12C, 14N, 16O, and 20Ne were simulated for 0.6cm diameter pencil beams. Beam energies corresponding to Bragg peak depths of 50, 100, 150, 200, 250, and 300mm were used and evaluated transversely every millimeter and radially in annuli with outer radius of 1.0, 2.0, 3.0, 3.2, 3.4, 3.6, 4.0, 5.0, 10.0, 15.0, 20.0 and 25.0mm. The acquired probability distributions were reduced to dose-mean lineal energies and applied to the modified microdosimetric kinetic model for five different cell types to calculate relative biological effectiveness (RBE) compared to 60Co beams at the 10% survival threshold. The product of the calculated RBEs and the simulated physical dose was taken to create biological dose and comparisons were then made between the various ions. Results: Transversely, the 10B beam was seen to minimize relative biological dose in both the constant and accelerated dose change regions, proximal to the Bragg Peak, for all beams traveling greater than 50mm. For the 50mm beam, 7Li was seen to provide the most optimal biological dose profile. Radially small fluctuations (<4.2%) were seen in RBE while physical dose was greater than 1% for all beams. Conclusion: Even with the growing usage of 12C, it may not be the most optimal ion in all clinical situations. Boron was calculated to have slightly enhanced RBE characteristics, leading to lower relative biological doses.

  1. 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

    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 relatio...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-11-05

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

  3. 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.

  4. 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).

  5. 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

  6. Theoretical nuclear physics

    International Nuclear Information System (INIS)

    Anon.

    1985-01-01

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

  7. 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.

  8. A study of process-related electrical defects in SOI lateral bipolar transistors fabricated by ion implantation

    Science.gov (United States)

    Yau, J.-B.; Cai, J.; Hashemi, P.; Balakrishnan, K.; D'Emic, C.; Ning, T. H.

    2018-04-01

    We report a systematic study of process-related electrical defects in symmetric lateral NPN transistors on silicon-on-insulator (SOI) fabricated using ion implantation for all the doped regions. A primary objective of this study is to see if pipe defects (emitter-collector shorts caused by locally enhanced dopant diffusion) are a show stopper for such bipolar technology. Measurements of IC-VCE and Gummel currents in parallel-connected transistor chains as a function of post-fabrication rapid thermal anneal cycles allow several process-related electrical defects to be identified. They include defective emitter-base and collector-base diodes, pipe defects, and defects associated with a dopant-deficient region in an extrinsic base adjacent its intrinsic base. There is no evidence of pipe defects being a major concern in SOI lateral bipolar transistors.

  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)

    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

  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)

    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

  11. Experimental and theoretical studies of bombardment induced surface morphology changes

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  12. 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.

  13. Theoretical Understanding the Relations of Melting-point Determination Methods from Gibbs Thermodynamic Surface and Applications on Melting Curves of Lower Mantle Minerals

    Science.gov (United States)

    Yin, K.; Belonoshko, A. B.; Zhou, H.; Lu, X.

    2016-12-01

    The melting temperatures of materials in the interior of the Earth has significant implications in many areas of geophysics. The direct calculations of the melting point by atomic simulations would face substantial hysteresis problem. To overcome the hysteresis encountered in the atomic simulations there are a few different melting-point determination methods available nowadays, which are founded independently, such as the free energy method, the two-phase or coexistence method, and the Z method, etc. In this study, we provide a theoretical understanding the relations of these methods from a geometrical perspective based on a quantitative construction of the volume-entropy-energy thermodynamic surface, a model first proposed by J. Willard Gibbs in 1873. Then combining with an experimental data and/or a previous melting-point determination method, we apply this model to derive the high-pressure melting curves for several lower mantle minerals with less computational efforts relative to using previous methods only. Through this way, some polyatomic minerals at extreme pressures which are almost unsolvable before are calculated fully from first principles now.

  14. Optical effects of ion implantation

    International Nuclear Information System (INIS)

    Townsend, P.D.

    1987-01-01

    The review concerns the effects of ion implantation that specifically relate to the optical properties of insulators. Topics which are reviewed include: ion implantation, ion range and damage distributions, colour centre production by ion implantation, high dose ion implantation, and applications for integrated optics. Numerous examples are presented of both diagnostic and industrial examples of ion implantation effects in insulators. (U.K.)

  15. 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.

  16. 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.

  17. Theoretical cosmology

    International Nuclear Information System (INIS)

    Raychaudhuri, A.K.

    1979-01-01

    The subject is covered in chapters, entitled; introduction; Newtonian gravitation and cosmology; general relativity and relativistic cosmology; analysis of observational data; relativistic models not obeying the cosmological principle; microwave radiation background; thermal history of the universe and nucleosynthesis; singularity of cosmological models; gravitational constant as a field variable; cosmological models based on Einstein-Cartan theory; cosmological singularity in two recent theories; fate of perturbations of isotropic universes; formation of galaxies; baryon symmetric cosmology; assorted topics (including extragalactic radio sources; Mach principle). (U.K.)

  18. 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.

  19. Experimental and theoretical investigations about the vaporization of laser-produced aerosols and individual particles inside inductively-coupled plasmas — Implications for the extraction efficiency of ions prior to mass spectrometry

    International Nuclear Information System (INIS)

    Flamigni, Luca; Koch, Joachim; Günther, Detlef

    2012-01-01

    Current quantification capabilities of laser ablation inductively-coupled plasma mass spectrometry (LA-ICP-MS) are known to be restricted by elemental fractionation as a result of LA-, transport-, and ICP-induced effects which, particularly, may provoke inaccuracies whenever calibration strategies on the basis of non-matrix matched standard materials are applied. The present study is dealing with the role of ICP in this complex scenario. Therefore, the vaporization process of laser-produced aerosols and subsequent diffusion losses occurring inside ICP sources were investigated using 2-D optical emission spectrometry (OES) and ICP-quadrupole (Q)MS of individual particles. For instance, Na- and Ca-specific OES of aerosols produced by LA of silicate glasses or metals revealed axial shifts in the onset and maximum position of atomic emission which were in the range of a few millimeters. The occurrence of these shifts was found to arise from composition-dependent particle/aerosol penetration depths, i.e. the displacement of axial vaporization starting points controlling the ion extraction efficiency through the ICP-MS vacuum interface due to a delayed, diffusion-driven expansion of oxidic vs. metallic aerosols. Furthermore, ICP-QMS of individual particles resulted in 1/e half-value signal durations of approximately 100 μs, which complies with modeled values if OES maxima are assumed to coincide with positions of instantaneous vaporization and starting points for atomic diffusion. To prove phenomena observed for their consistency, in addition, “ab initio” as well as semi-empirical simulations of particle/aerosol penetration depths followed by diffusion-driven expansion was accomplished indicating differences of up to 15% in the relative ion extraction efficiency depending on whether analytes are supplied as metals or oxides. Implications of these findings on the accuracy achievable by state-of-the-art LA-ICP-MS systems are outlined. - Highlights: ► Specification

  20. 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)

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. Silicene: Recent theoretical advances

    KAUST Repository

    Lew Yan Voon, L. C.; Zhu, Jiajie; Schwingenschlö gl, Udo

    2016-01-01

    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.

  6. 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.

  7. 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

  8. 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.

  9. 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)

  10. 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

  11. 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

  12. Evaluation of the relative biological effectiveness of carbon ion beams in the cerebellum using the rat organotypic slice culture system

    International Nuclear Information System (INIS)

    Yoshida, Yukari; Katoh, Hiroyuki; Nakano, Takashi; Suzuki, Yoshiyuki; Al-Jahdari, Wael S.; Shirai, Katsuyuki; Hamada, Nobuyuki; Funayama, Tomoo; Sakashita, Tetsuya; Kobayashi, Yasuhiko

    2012-01-01

    The purpose of this study was to clarify the relative biological effectiveness (RBE) values of carbon ion (C) beams in normal brain tissues, a rat organotypic slice culture system was used. The cerebellum was dissected from 10-day-old Wistar rats, cut parasagittally into approximately 600-μm-thick slices and cultivated using a membrane-based culture system with a liquid-air interface. Slices were irradiated with 140 kV X-rays and 18.3 MeV/amu C-beams (linear energy transfer=108 keV/μm). After irradiation, the slices were evaluated histopathologically using hematoxylin and eosin staining, and apoptosis was quantified using the TdT-mediated dUTP-biotin nick-end labeling (TUNEL) assay. Disorganization of the external granule cell layer (EGL) and apoptosis of the external granule cells (EGCs) were induced within 24 h after exposure to doses of more than 5 Gy from C-beams and X-rays. In the early postnatal cerebellum, morphological changes following exposure to C-beams were similar to those following exposure to X-rays. The RBEs values of C-beams using the EGL disorganization and the EGC TUNEL index endpoints ranged from 1.4 to 1.5. This system represents a useful model for assaying the biological effects of radiation on the brain, especially physiological and time-dependent phenomena. (author)

  13. Relation between track structure and LET effect on free radical formation for ion beam-irradiated alanine dosimeter

    International Nuclear Information System (INIS)

    Krushev, V.V.; Koizumi, Hitoshi; Ichikawa, Tsuneki; Yoshida, Hiroshi; Shibata, Hiromi; Tagawa, Seiichi; Yoshida, Yoichi

    1994-01-01

    The yield and local concentration of free radicals generated from alanine (α-aminopropionic acid) by irradiation with 3 MeV H + and He + ions were examined by means of electron spin resonance (ESR) and ESR power saturation methods at room temperature. The G-value of the radical formation showed a marked dependence on linear energy transfer (LET) of the ions. The G-value for the H + ion (average LET: 28 eV/nm) was almost the same as that for γ-irradiation and it was smaller by a factor of 1/4.7 for the He + ion (average LET: 225eV/nm). Combining the local concentration of the free radicals along the ion tracks with the G-values and the reported ion range, the radius of a track filled with free radicals was estimated to be 4 ∼ 5 nm by assuming a simple rod-shaped track with a constant radius and homogeneous distribution of the free radicals in it. The track radius scarcely depends on the LET within the range examined. The radiation energy deposited in the core region of the ion track was concluded to spread over the rod to generate free radicals. (author)

  14. 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

  15. 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.)

  16. 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

  17. 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

  18. 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

  19. Inhibition of potential lethal damage repair and related gene expression after carbon-ion beam irradiation to human lung cancer grown in nude mice

    International Nuclear Information System (INIS)

    Yashiro, Tomoyasu; Fujisawa, Takehiko; Koyama-Saegusa, Kumiko; Imai, Takashi; Miyamoto, Tadaaki

    2007-01-01

    Using cultured and nude mouse tumor cells (IA) derived from a human lung cancer, we previously demonstrated their radiosensitivity by focusing attention on the dynamics of tumor clonogens and the early and rapid survival recovery (potential lethal damage repair: PLD repair) occurring after X-ray irradiation. To the authors' knowledge, this is the first study demonstrating gene expression in association with PLD repair after carbon-ion beam or X-ray irradiation to cancer cells. In this study we tried to detect the mechanism of DNA damage and repair of the clonogens after X-ray or carbon-ion beam irradiation. At first, colony assay method was performed after irradiation of 12 Gy of X-ray or 5 Gy of carbon-ion beam to compare the time dependent cell survival of the IA cells after each irradiation pass. Second, to search the genes causing PLD repair after irradiation of X-ray or carbon-ion beam, we evaluated gene expressions by using semi-quantitative RT-PCR with the selected 34 genes reportedly related to DNA repair. The intervals from the irradiation were 0, 6, 12 and 24 hr for colony assay method, and 0, 3, 18 hr for RT-PCR method. From the result of survival assays, significant PLD repair was not observed in carbon-ion beam as compared to X-ray irradiation. The results of RT-PCR were as follows. The gene showing significantly higher expressions after X-ray irradiation than after carbon-ion beam irradiation was PCNA. The genes showing significantly lower expressions after X-ray irradiation rather than after carbon-ion beam irradiation were RAD50, BRCA1, MRE11A, XRCC3, CHEK1, MLH1, CCNB1, CCNB2 and LIG4. We conclude that PCNA could be a likely candidate gene for PLD repair. (author)

  20. 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

  1. Theoretical investigation of aspects of radioactive contamination

    International Nuclear Information System (INIS)

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

    1998-01-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  3. 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.)

  4. Solvent Dynamical Effects in Electron Transfer: Comparisons of Self-Exchange Kinetics for Cobaltocenium-Cobaltocene and Related Redox Couples with Theoretical Predictions.

    Science.gov (United States)

    1988-02-17

    prepared by oxidizing CP2Fe and Cp2 Fe, respectively, with nitrosonium tetrafluoroborate (Lancaster Synthesis, Ltd.) in dichloromethane...generally agreed to within 10%. As noted above, most kex measurements for CP2Co+ / ° and Cp’Co+ /° employed ca. 0.04 M cobalticenium ions together...precursor complex formation constant, Kp, rather than the energetics of the electron-transfer step itself. Given that - formation of the precursor

  5. Liquid chromatography, in combination with a quadrupole time-of-flight instrument (LC QTOF), with sequential window acquisition of all theoretical fragment-ion spectra (SWATH) acquisition: systematic studies on its use for screenings in clinical and forensic toxicology and comparison with information-dependent acquisition (IDA).

    Science.gov (United States)

    Roemmelt, Andreas T; Steuer, Andrea E; Poetzsch, Michael; Kraemer, Thomas

    2014-12-02

    Forensic and clinical toxicological screening procedures are employing liquid chromatography-tandem mass spectrometry (LC-MS/MS) techniques with information-dependent acquisition (IDA) approaches more and more often. It is known that the complexity of a sample and the IDA settings might prevent important compounds from being triggered. Therefore, data-independent acquisition (DIA) methods should be more suitable for systematic toxicological analysis (STA). The DIA method sequential window acquisition of all theoretical fragment-ion spectra (SWATH), which uses Q1 windows of 20-35 Da for data-independent fragmentation, was systematically investigated for its suitability for STA. Quality of SWATH-generated mass spectra were evaluated with regard to mass error, relative abundance of the fragments, and library hits. With the Q1 window set to 20-25 Da, several precursors pass Q1 at the same time and are fragmented, thus impairing the library search algorithms to a different extent: forward fit was less affected than reverse fit and purity fit. Mass error was not affected. The relative abundance of the fragments was concentration dependent for some analytes and was influenced by cofragmentation, especially of deuterated analogues. Also, the detection rate of IDA compared to SWATH was investigated in a forced coelution experiment (up to 20 analytes coeluting). Even using several different IDA settings, it was observed that IDA failed to trigger relevant compounds. Screening results of 382 authentic forensic cases revealed that SWATH's detection rate was superior to IDA, which failed to trigger ∼10% of the analytes.

  6. 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)

  7. 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)

  8. 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)

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  10. Heavy-ion radiography

    International Nuclear Information System (INIS)

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

    1983-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-15

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

  12. Stopping power for heavy ions in low energy region

    International Nuclear Information System (INIS)

    Kitagawa, Mitsuo

    1983-01-01

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

  13. Detector Characterization Report, Response Related to Linear Movement and Radiation Levels for an Oak Ridge National Laboratory (ORNL)-Developed Ion Chamber and a Commercial Ion Chamber

    International Nuclear Information System (INIS)

    Chiaro, P.J.

    2001-01-01

    Recent activities regarding the safeguarding of radioactive material have indicated there is a need to use radiation sensors to monitor intentional or unintentional material movement. Existing radiation detection systems were not typically designed for this type of operation since most of their use accounted for monitoring material while the material is stationary. To ensure that a radiation monitoring system is capable of detecting the movement of radioactive material, a series of tests were needed. These tests would need to be performed in known radiological conditions, under controlled environmental conditions, and at known movement speeds. The Radiation Effects Facility (REF), located at the Radiation Calibration Laboratory, provided the necessary capabilities to perform these tests. This report provides a compilation of the results from a characterization of two different sensors--a simple, air ionization chamber-based sensor developed at ORNL that consists of an ion chamber connected to a separate amplifier, and an Eberline model RO-7-LD. The RO-7-LD is also an air ionization chamber-based sensor, but the electronics are in the same physical package

  14. Determinants of IT-Related Innovation Acceptance and Use Behavior: Theoretical Integration of Unified Theory of Acceptance and Use of Technology and Entrepreneurial Potential Model

    Directory of Open Access Journals (Sweden)

    Sedigheh Moghavvemi

    2014-03-01

    Full Text Available Purpose – a great number of models investigate individual intention towards adopting and using information technology. However, the complex link between intention and behavior suggests that it may require more scrutiny (intention behavior gap. The link between the intention and behavior is most likely influenced by a number of factors, some controllable, others uncontrollable; therefore, external factors are likely to play a significant role. However, IS literature on the subject is extremely lacking. One of the popular theories in this context is the UTAUT model, which has certain limitations, especially when it concerns intention behavior gaps. Research on the entrepreneurship context identified precipitating events as a promising candidate to overcome such limitations. To address the gap in the UTAUT and improve the model, it is reviewed and empirically compared to the Entrepreneurial Potential Model (EPM in order to allow us to develop a new model that integrates elements from the two models in order to capture the different factors of IT adoption behavior.Methodology – a longitudinal survey approach is appropriate for this study, since this research design allows the researcher to test the overall fit of the integrative TADU model. The longitudinal study is appropriate to test the relationship between intention and use behavior and the effect of precipitating events on the time that intention is formed and behavior is performed. This is an ongoing research, and at this stage, the authors are mainly developing a theoretical argument and methodology that is currently in the process of being tested.Results – the new model mitigates the limitations arising from the UTAUT, particularly its predictive ability, and it also reduces the ‘distal nature’ between intention and use behavior.Study limitation – the paper represents work in progress and may some researcher criticize it in term of the predicted results.Practical significance

  15. 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.

  16. Dose-volume histogram analysis of hepatic toxicity related to carbon ion radiation therapy of hepatocellular carcinoma

    International Nuclear Information System (INIS)

    Yasuda, Shigeo; Kato, Hirotoshi; Tsujii, Hitohiko; Mizoe, Junetsu

    2005-01-01

    The purpose of this study is to analyze the correlation of hepatic toxicity with dose-volume factors of carbon ion radiotherapy in the liver. Forty-nine patients with hepatocellular carcinoma were treated with carbon ion radiotherapy delivered in 4 fractions over 4 to 7 days. Six patients received a total dose of 48 GyE and 43 received 52.8 GyE. The correlation of various blood biochemistry data with dose-volume histogram (DVH) data in non-cancerous liver were evaluated. The strongest significant correlation was seen between percent volume of non-cancerous liver with radiation dose more than 11 GyE (V 11 GyE ) and elevation of serum glutamic oxaloacetic transaminase (GOT) level as early adverse response after carbon ion beam radiation therapy (p=0.0003). In addition, significant correlation between DVH data and change of several other blood biochemistry data were also revealed in early phase. In late phase after carbon ion radiotherapy, the strongest significant correlation was seen between decrease of platelet count and V 26GyE (p=0.015). There was no significant correlation between other blood biochemistry data and DVH data in the late phase. It was suggested that dose-volume factors of carbon ion radiotherapy influenced only transient aggravation of liver function, which improved in the long term after irradiation. (author)

  17. Rapid MCNP simulation of DNA double strand break (DSB) relative biological effectiveness (RBE) for photons, neutrons, and light ions.

    Science.gov (United States)

    Stewart, Robert D; Streitmatter, Seth W; Argento, David C; Kirkby, Charles; Goorley, John T; Moffitt, Greg; Jevremovic, Tatjana; Sandison, George A

    2015-11-07

    To account for particle interactions in the extracellular (physical) environment, information from the cell-level Monte Carlo damage simulation (MCDS) for DNA double strand break (DSB) induction has been integrated into the general purpose Monte Carlo N-particle (MCNP) radiation transport code system. The effort to integrate these models is motivated by the need for a computationally efficient model to accurately predict particle relative biological effectiveness (RBE) in cell cultures and in vivo. To illustrate the approach and highlight the impact of the larger scale physical environment (e.g. establishing charged particle equilibrium), we examined the RBE for DSB induction (RBEDSB) of x-rays, (137)Cs γ-rays, neutrons and light ions relative to γ-rays from (60)Co in monolayer cell cultures at various depths in water. Under normoxic conditions, we found that (137)Cs γ-rays are about 1.7% more effective at creating DSB than γ-rays from (60)Co (RBEDSB  =  1.017) whereas 60-250 kV x-rays are 1.1 to 1.25 times more efficient at creating DSB than (60)Co. Under anoxic conditions, kV x-rays may have an RBEDSB up to 1.51 times as large as (60)Co γ-rays. Fission neutrons passing through monolayer cell cultures have an RBEDSB that ranges from 2.6 to 3.0 in normoxic cells, but may be as large as 9.93 for anoxic cells. For proton pencil beams, Monte Carlo simulations suggest an RBEDSB of about 1.2 at the tip of the Bragg peak and up to 1.6 a few mm beyond the Bragg peak. Bragg peak RBEDSB increases with decreasing oxygen concentration, which may create opportunities to apply proton dose painting to help address tumor hypoxia. Modeling of the particle RBE for DSB induction across multiple physical and biological scales has the potential to aid in the interpretation of laboratory experiments and provide useful information to advance the safety and effectiveness of hadron therapy in the treatment of cancer.

  18. 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

  19. Hydrogen ion species analysis and related neutral beam injection power assessment in the Heliotron E neutral beam injection system

    International Nuclear Information System (INIS)

    Sano, Fumimichi; Obiki, Tokuhiro; Sasaki, Akihiko; Iiyoshi, Atsuo; Uo, Koji

    1982-01-01

    The hydrogen ion species in a Heliotron E neutral beam injection system of maximum electric power 6.3 MW were analyzed in order to assess the neutral beam power injected into the torus. The masimum p roton ratio of the cylindrical bucket type ion source used was observed to be more than 90 percent assuming that the angular divergences for the respective species in the beam are the same. The experimental data are compared with calculations using a particle balance model. The analysis indicates that the net injection power reaches nearly 2.7 MW at the optimal conditions of the system considering the geometrical limitation of the neutral beam path. (author)

  20. 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.

  1. EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations: Theoretical manual, user's guide, and related documentation (Version 7.0)

    International Nuclear Information System (INIS)

    Wolery, T.J.

    1992-01-01

    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 = -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

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

    Science.gov (United States)

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

    2016-12-23

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

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

    Science.gov (United States)

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

    2016-01-01

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

  4. 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)

  5. Ab initio/GIAO-CCSD(T) study of structures, energies, and 13C NMR chemical shifts of C4H7(+) and C5H9(+) ions: relative stability and dynamic aspects of the cyclopropylcarbinyl vs bicyclobutonium ions.

    Science.gov (United States)

    Olah, George A; Surya Prakash, G K; Rasul, Golam

    2008-07-16

    The structures and energies of the carbocations C 4H 7 (+) and C 5H 9 (+) were calculated using the ab initio method. The (13)C NMR chemical shifts of the carbocations were calculated using the GIAO-CCSD(T) method. The pisigma-delocalized bisected cyclopropylcarbinyl cation, 1 and nonclassical bicyclobutonium ion, 2 were found to be the minima for C 4H 7 (+) at the MP2/cc-pVTZ level. At the MP4(SDTQ)/cc-pVTZ//MP2/cc-pVTZ + ZPE level the structure 2 is 0.4 kcal/mol more stable than the structure 1. The (13)C NMR chemical shifts of 1 and 2 were calculated by the GIAO-CCSD(T) method. Based on relative energies and (13)C NMR chemical shift calculations, an equilibrium involving the 1 and 2 in superacid solutions is most likely responsible for the experimentally observed (13)C NMR chemical shifts, with the latter as the predominant equilibrating species. The alpha-methylcyclopropylcarbinyl cation, 4, and nonclassical bicyclobutonium ion, 5, were found to be the minima for C 5H 9 (+) at the MP2/cc-pVTZ level. At the MP4(SDTQ)/cc-pVTZ//MP2/cc-pVTZ + ZPE level ion 5 is 5.9 kcal/mol more stable than the structure 4. The calculated (13)C NMR chemical shifts of 5 agree rather well with the experimental values of C 5H 9 (+).

  6. 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.)

  7. Detection of DNA lesion induced by heavy ion irradiation using DNA repair related proteins in cultured cells

    International Nuclear Information System (INIS)

    Eguchi-Kasai, Kiyomi; Tsujita, Sena

    2006-01-01

    We studied the localization of phosphorylated H2AX (γ-H2AX) in cultured human fibroblasts after irradiation with heavy ion beams. Asynchronous human normal fibroblasts (NB1RGB) were irradiated with X-rays, C (LET≅85 keV/μm), Si (240 keV/μm), Ar (85 keV/μm), and Fe (440 keV/μm) ion beams. Gamma-H2AX was measured in irradiated cells from 0 to 24 h after irradiation using flow cytometry. The fluorescent signal of γ-H2AX increased just after irradiation of each radiation and reached maximum around 30 nun and then, decreased. At 30 min after irradiation, γ-H2AX signal increased with increasing the radiation dose for both X-rays and Fe ion. The slope of fitting line for the Fe ion was bigger than that of X-rays. Foci of γ-H2AX on cell nuclei were counted under the laser scanning confocal microscopy at 30 min after. Number of foci per nucleus was increased with increasing dose of each radiation. (author)

  8. 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

  9. Ion-ion collisions

    International Nuclear Information System (INIS)

    Salzborn, Erhard; Melchert, Frank

    2000-01-01

    Collisions between ions belong to the elementary processes occurring in all types of plasmas. In this article we give a short overview about collisions involving one-electron systems. For collisions involving multiply-charged ions we limit the discussion to one specific quasi-one-electron system. (author)

  10. Optimization of a Differential Ion Mobility Spectrometry-Tandem Mass Spectrometry Method for High-Throughput Analysis of Nicotine and Related Compounds: Application to Electronic Cigarette Refill Liquids.

    Science.gov (United States)

    Regueiro, Jorge; Giri, Anupam; Wenzl, Thomas

    2016-06-21

    Fast market penetration of electronic cigarettes is leading to an exponentially growing number of electronic refill liquids with different nicotine contents and an endless list of flavors. Therefore, rapid and simple methods allowing a fast screening of these products are necessary to detect harmful substances which can negatively impact the health of consumers. In this regard, the present work explores the capabilities of differential ion mobility spectrometry coupled to tandem mass spectrometry for high-throughput analysis of nicotine and 11 related compounds in commercial refill liquids for electronic cigarettes. The influence of main factors affecting the ion mobility separation, such as modifier types and concentration, separation voltage, and temperature, was systematically investigated. Despite small molecular weight differences among the studied compounds, a good separation was achieved in the ion mobility cell under the optimized conditions, which involved the use of ethanol as a polar gas-phase chemical modifier. Indeed, differential ion mobility was able to resolve (resolution >4) nicotine from its structural isomer anabasine without the use of any chromatographic separation. The quantitative performance of the proposed method was then evaluated, showing satisfactory precision (RSD ≤ 16%) and recoveries ranging from 85 to 100% for nicotine, and from 84 to 126% for the rest of the target analytes. Several commercial electronic cigarette refill liquids were analyzed to demonstrate the applicability of the method. In some cases, significant differences were found between labeled and measured levels of nicotine. Anatabine, cotinine, myosmine, and nornicotine were also found in some of the analyzed samples.

  11. Collision-Induced Dissociation of Deprotonated Peptides. Relative Abundance of Side-Chain Neutral Losses, Residue-Specific Product Ions, and Comparison with Protonated Peptides.

    Science.gov (United States)

    Liang, Yuxue; Neta, Pedatsur; Yang, Xiaoyu; Stein, Stephen E

    2018-03-01

    High-accuracy MS/MS spectra of deprotonated ions of 390 dipeptides and 137 peptides with three to six residues are studied. Many amino acid residues undergo neutral losses from their side chains. The most abundant is the loss of acetaldehyde from threonine. The abundance of losses from the side chains of other amino acids is estimated relative to that of threonine. While some amino acids lose the whole side chain, others lose only part of it, and some exhibit two or more different losses. Side-chain neutral losses are less abundant in the spectra of protonated peptides, being significant mainly for methionine and arginine. In addition to the neutral losses, many amino acid residues in deprotonated peptides produce specific negative ions after peptide bond cleavage. An expanded list of fragment ions from protonated peptides is also presented and compared with those of deprotonated peptides. Fragment ions are mostly different for these two cases. These lists of fragments are used to annotate peptide mass spectral libraries and to aid in the confirmation of specific amino acids in peptides. Graphical Abstract ᅟ.

  12. 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)

  13. 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.)

  14. A novel ion imager for secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    Matsumoto, Kazuya; Miyata, Kenji; Nakamura, Tsutomu

    1993-01-01

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

  15. Theoretical Status of the RHIC Program

    International Nuclear Information System (INIS)

    Jalilian-Marian, Jamal

    2006-01-01

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

  16. 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

  17. 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.

  18. 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)

  19. Solutions to defect-related problems in implanted silicon by controlled injection of vacancies by high-energy ion irradiation

    International Nuclear Information System (INIS)

    Roth, E.G.; Holland, O.W.; Duggan, J.L.

    1999-01-01

    Amorphization and a dual implant technique have been used to manipulate residual defects that persist following implantation and post-implant thermal treatments. Residual defects can often be attributed to ion-induced defect excesses. A defect is considered to be excess when it occurs in a localized region at a concentration greater than its complement. Sources of excess defects include spatially separated Frenkel pairs, excess interstitials resulting from the implanted atoms, and sputtering. Preamorphizing prior to dopant implantation has been proposed to eliminate dopant broadening due to ion channeling as well as dopant diffusion during subsequent annealing. However, transient-enhanced diffusion (TED) of implanted boron has been observed in pre-amorphized Si. The defects driving this enhanced boron diffusion are thought to be the extended interstitial-type defects that form below the amorphous-crystalline interface during implantation. A dual implantation process was applied in an attempt to reduce or eliminate this interfacial defect band. High-energy, ion implantation is known to inject a vacancy excess in this region. Vacancies were implanted at a concentration coincident with the excess interstitials below the a-c interface to promote recombination between the two defect species. Preliminary results indicate that a critical fluence, i.e., a sufficient vacancy concentration, will eliminate the interstitial defects. The effect of the reduction or elimination of these interfacial defects upon TED of boron will be discussed. Rutherford backscattering/channeling and cross section transmission electron microscopy analyses were used to characterize the defect structure within the implanted layer. Secondary ion mass spectrometry was used to profile the dopant distributions. copyright 1999 American Institute of Physics

  20. 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)

  1. 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.

  2. 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

  3. 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)

  4. 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

  5. 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

  6. Ion implantation

    International Nuclear Information System (INIS)

    Dearnaley, Geoffrey

    1975-01-01

    First, ion implantation in semiconductors is discussed: ion penetration, annealing of damage, gettering, ion implanted semiconductor devices, equipement requirements for ion implantation. The importance of channeling for ion implantation is studied. Then, some applications of ion implantation in metals are presented: study of the corrosion of metals and alloys; influence or ion implantation on the surface-friction and wear properties of metals; hyperfine interactions in implanted metals

  7. 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.

  8. 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)

  9. Quantitative approach to relate dielectric constant studies with TSDC studies of 50 MeV Si ion irradiated kapton-H polymide

    International Nuclear Information System (INIS)

    Quamara, J.K.; Garg, Maneesha; Sridharbabu, Y.; Prabhavathi, T.

    2003-01-01

    Temperature and frequency dependent dielectric behaviour has been investigated for pristine and swift heavy ion irradiated (Si ion, 50 MeV energy) kapton-H polyimide in the temperature range of 30 to 250 deg C at frequencies 120 Hz, 1 kHz, 10 kHz and 100 kHz respectively. The dielectric relaxation behaviour of the same samples was also studied using thermally stimulated discharge current (TSDC) technique. A quantitative approach is developed using a well-known Clausius Mossotti equation to relate the TSDC findings to the dielectric constant studies. An overall increase in the dielectric constant of the irradiated samples are also in conformity to the TSDC findings. (author)

  10. 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.

  11. 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....

  12. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-09-15

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

  14. 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.; Baker, Ruth E.; Gillow, Kathryn; Davis, Jason J.; Gavaghan, David J.; Bond, Alan M.

    2015-01-01

    © 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.

  15. 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.

  16. 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.

  17. Transport of radioactive ion beams and related safety issues: The {sup 132}Sn{sup +} case study

    Energy Technology Data Exchange (ETDEWEB)

    Osswald, F., E-mail: francis.osswald@iphc.cnrs.fr; Bouquerel, E.; Boutin, D.; Dinkov, A.; Sellam, A. [IPHC/IN2P3/CNRS, University of Strasbourg, 67037 Strasbourg (France); Kazarinov, N. [JINR/FLNR, 141980 Dubna (Russian Federation); Perrot, L. [IPNO/IN2P3/CNRS, University of Paris-Sud-11, 91406 Orsay (France)

    2014-12-15

    The transport of intense radioactive ion beam currents requires a careful design in order to limit the beam losses, the contamination and thus the dose rates. Some investigations based on numerical models and calculations have been performed in the framework of the SPIRAL 2 project to evaluate the performance of a low energy beam transport line located between the isotope separation on line (ISOL) production cell and the experiment areas. The paper presents the results of the transverse phase-space analysis, the beam losses assessment, the resulting contamination, and radioactivity levels. They show that reasonable beam transmission, emittance growth, and dose rates can be achieved considering the current standards.

  18. Characterization of the interaction between therapeutical carbon ions and bone-like materials and related impact on treatment planning

    Energy Technology Data Exchange (ETDEWEB)

    Eichhorn, Anna; Durante, Marco [GSI Helmholtzzentrum fuer Schwereionen, Darmstadt (Germany); TU Darmstadt (Germany); Carlino, Antonio [University of Palermo (Italy); Kaderka, Robert; Kraemer, Michael; La Tessa, Chiara; Scifoni, Emanuele [GSI Helmholtzzentrum fuer Schwereionen, Darmstadt (Germany)

    2013-07-01

    Radiotherapy is one of the most common and effective therapies for cancer. The treatment planning system for ions TRiP98 was developed at GSI, Darmstadt. In TRiP98, the interaction between primary radiation and tissue is modeled from experimental data measured in water and rescaled to other tissue. This approximation is not accurate enough for biological materials whose elemental composition besides density deviates significantly from water. The nuclear attenuation of carbon beams in bone-like materials was measured and an estimation of the fragmentation cross section was done. In parallel, the dose profile inhomogeneity predicted by TRiP98 at the interface between water and bones was investigated and measured at HIT (Heidelberg). A 3D treatment plan was delivered in a water phantom equipped with bone targets. Pin-point ionization chambers and X-ray dosimetric films were used for measuring the dose at different positions. As a further step, the measured cross sections of carbon ions in bone have been implemented in TRiP98. The comparison of the dose profiles calculated with the standard and benchmarked versions of the treatment planning will give an estimate of the improvement.

  19. 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.

  20. Theoretical foundations of the correction factors for the analysis of the relative variations of 13C/12C and 18O/16O ratios, by mass spectrometry

    International Nuclear Information System (INIS)

    Ducatti, C.; Salati, E.

    1982-01-01

    A review is made of analytical procedures to calculate correction factors, proposed by CRAIG (1957) to determine isotopic enrichment relating to the international PBD standard sample, obtained from analysis of carbon dioxide gas samples by mass spectrometry. Using such correction factors, the isotopic composition of the secondary CENA-standard sample is characterized through calculation of the main isotopic ratios of this sample. It is then possible to obtain correction factors for the determination of the isotopic enrichment relating to the secondary CENA-standard sample itself. New correction factors are proposed taking into account the interference of various isotopic species and the variability in sample and secondary standard preparation, that make possible the detemination of carbon-13 and oxygen-18 isotopic enrichment relating to the international PBD standard sample, with a total analytical error σ = + - 0.2 0 /00 in normal routine work. (Author) [pt

  1. Direct and remarkably efficient conversion of methane into acetic acid catalyzed by amavadine and related vanadium complexes. A synthetic and a theoretical DFT mechanistic study.

    Science.gov (United States)

    Kirillova, Marina V; Kuznetsov, Maxim L; Reis, Patrícia M; da Silva, José A L; da Silva, João J R Fraústo; Pombeiro, Armando J L

    2007-08-29

    Vanadium(IV or V) complexes with N,O- or O,O-ligands, i.e., [VO{N(CH2CH2O)3}], Ca[V(HIDPA)2] (synthetic amavadine), Ca[V(HIDA)2], or [Bu4N]2[V(HIDA)2] [HIDPA, HIDA = basic form of 2,2'-(hydroxyimino)dipropionic or -diacetic acid, respectively], [VO(CF3SO3)2], Ba[VO(nta)(H2O)]2 (nta = nitrilotriacetate), [VO(ada)(H2O)] (ada = N-2-acetamidoiminodiacetate), [VO(Hheida)(H2O)] (Hheida = 2-hydroxyethyliminodiacetate), [VO(bicine)] [bicine = basic form of N,N-bis(2-hydroxyethyl)glycine], and [VO(dipic)(OCH2CH3)] (dipic = pyridine-2,6-dicarboxylate), are catalyst precursors for the efficient single-pot conversion of methane into acetic acid, in trifluoroacetic acid (TFA) under moderate conditions, using peroxodisulfate as oxidant. Effects on the yields and TONs of various factors are reported. TFA acts as a carbonylating agent and CO is an inhibitor for some systems, although for others there is an optimum CO pressure. The most effective catalysts (as amavadine) bear triethanolaminate or (hydroxyimino)dicarboxylates and lead, in a single batch, to CH3COOH yields > 50% (based on CH4) or remarkably high TONs up to 5.6 x 103. The catalyst can remain active upon multiple recycling of its solution. Carboxylation proceeds via free radical mechanisms (CH3* can be trapped by CBrCl3), and theoretical calculations disclose a particularly favorable process involving the sequential formation of CH3*, CH3CO*, and CH3COO* which, upon H-abstraction (from TFA or CH4), yields acetic acid. The CH3COO* radical is formed by oxygenation of CH3CO* by a peroxo-V complex via a V{eta1-OOC(O)CH3} intermediate. Less favorable processes involve the oxidation of CH3CO* by the protonated (hydroperoxo) form of that peroxo-V complex or by peroxodisulfate. The calculations also indicate that (i) peroxodisulfate behaves as a source of sulfate radicals which are methane H-abstractors, as a peroxidative and oxidizing agent for vanadium, and as an oxidizing and coupling agent for CH3CO* and that (ii) TFA is

  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

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

  3. 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.

  4. 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.

  5. 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

  6. 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.)

  7. 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

  8. Discussion on resin conversion related problems in the process of using ion exchange method to recover uranium from carbonate lixivium in a uranium mine

    International Nuclear Information System (INIS)

    Yu Suqin; Du Yuhai; Long Qing; Han Wei; Que Weimin

    2012-01-01

    Ion exchange method was used to recover uranium from carbonate lixivium in a uranium mine, lean resin was converted by sodium bicarbonate solution. Because of high sodium bicarbonate, chlorine and uranium concentration in the converted solution, it is difficult to effectively use. Combined with the production practices of the mine, the resin conversion related problems were analyzed. Some measures were taken for improving utilization rate of the converted solution, and good results were obtained. The utilization rate of the converted solution increased to about 20% from less than lO%, and the consumption of sodium bicarbonate reduced by about 30%. (authors)

  9. Theoretical studies in nuclear reactions and nuclear structure

    International Nuclear Information System (INIS)

    Wallace, S.J.

    1991-05-01

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

  10. Ion implantation into iron

    International Nuclear Information System (INIS)

    Iwaki, Masaya

    1978-01-01

    The distribution of implanted ions in iron, the friction characteristics and the corrosion of iron were studied. The distribution of Ni or Cr ions implanted into mild steel was measured. The accelerated voltage was 150 keV, and the beam current density was about 2 microampere/cm 2 . The measurement was made with an ion microanalyzer. The measured distribution was compared with that of LSS theory. Deep invasion of Ni was seen in the measured distribution. The distribution of Cr ions was different from the distribution calculated by the LSS theory. The relative friction coefficient of mild steel varied according to the dose of implanted Cu or N ions, and to the accelerating voltage. Formation of compound metals on the surfaces of metals by ion-implantation was investigated for the purpose to prevent the corrosion of metals. The resistance of mild steel in which Ni ions were implanted was larger than that of mild steel without any treatment. (Kato, T.)

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  12. 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.

  13. Ion-Ion Plasmas Produced by Electron Beams

    Science.gov (United States)

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

    2001-10-01

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

  14. 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.)

  15. 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)

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Philip A., E-mail: Smith.Philip.A@dol.gov [Uniformed Services University of the Health Sciences, Department of Preventive Medicine and Biometrics, 4301 Jones Bridge Road, Bethesda, MD, 20814 (United States); Lepage, Carmela R. Jackson [Defence R and D Canada - Suffield, Box 400, Station Main, Medicine Hat, Alberta, T1A 8K6 (Canada); Savage, Paul B. [Brigham Young University, Department of Chemistry and Biochemistry, Provo, UT, 84602 (United States); Bowerbank, Christopher R.; Lee, Edgar D. [Torion Technologies Inc., 796 East Utah Valley Drive, Suite 200, American Fork, UT, 84003 (United States); Lukacs, Michael J. [Defence R and D Canada - Suffield, Box 400, Station Main, Medicine Hat, Alberta, T1A 8K6 (Canada)

    2011-04-01

    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]{sup +}) 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]{sup +} ions only with increased fixed ionization or ion cooling times. Analysis of triethylamine-d{sub 15} provided evidence that [M+H]{sup +} 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]{sup +} ions for VX and several relevant degradation products. Dimer ions were also observed for two phosphonate compounds detected in this sample.

  16. 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.

  17. 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

  18. Fast-ion transport during repetitive burst phenomena of toroidal Alfven eigenmodes in the Large Helical Device

    International Nuclear Information System (INIS)

    Nishiura, M.; Isobe, M.; Yamamoto, S.

    2008-10-01

    Alfven instabilities induced fast-ion losses have been directly observed for the first time by a newly developed scintillator lost ion probe (SLIP) in the Large Helical Device (LHD). The SLIP can measure the pitch angle and gyro radius of escaped fast ions toward loss region. Neutral beam driven Alfven Eigenmodes (AEs) are excited under the reactor relevant conditions: the ratio of fast ion (beam) speed υ b and Alfven speed υ A is more than 0.3 - 4.0. The beta value for fast ions is considered roughly to be ∼10%. Non-linear phenomena related to Alfven instabilities are observed under such conditions. During repetitive Toroidal Alfven Eigenmode (TAE) bursts, synchronized fast ion losses are observed by SLIP. From the orbit calculation the measured fast ion with pitch angle of 130 degrees and beam energy of 150 keV surely pass through the locations of TAE gaps. The orbit analysis found that the observed fast ions interact strongly with the excited TAEs. This result becomes the first experimental evidence of radial transport of fast ions predicted theoretically during TAE activities. In addition, from the correlation between stored energy degradation and fast-ion loss rate, it is found that fast-ion losses induced by TAE activities with low toroidal mode numbers categorize two phenomena without and with fast- ion loss enhancements, which indicate the fast-ion redistribution and loss. (author)

  19. 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

  20. Theoretical Consolidation of Acoustic Dissipation

    Science.gov (United States)

    Casiano, M. J.; Zoladz, T. F.

    2012-01-01

    In many engineering problems, the effects of dissipation can be extremely important. Dissipation can be represented by several parameters depending on the context and the models that are used. Some examples of dissipation-related parameters are damping ratio, viscosity, resistance, absorption coefficients, pressure drop, or damping rate. This Technical Memorandum (TM) describes the theoretical consolidation of the classic absorption coefficients with several other dissipation parameters including linearized resistance. The primary goal of this TM is to theoretically consolidate the linearized resistance with the absorption coefficient. As a secondary goal, other dissipation relationships are presented.

  1. Imaging and relative quantification of 127I in human thyroid follicles by analytical ion microscope: Characterization of benign thyroid epithelial tumors

    International Nuclear Information System (INIS)

    Fragu, P.; Briancon, C.; Noel, M.; Halpern, S.

    1989-01-01

    Analytical ion microscopy (AIM) can be used for imaging and relative quantification of chemical elements in tissue sections. We used this technique to assess the changes in 127I mapping within thyroid follicular cells and follicular lumina in benign thyroid epithelial abnormalities from 17 patients and in macroscopically normal perinodular tissue surrounding solitary cold nodules from 8 patients. Among the 17 patients, 9 had simple goiters, 5 had toxic nodular goiters, and 3 had hypofunctioning (cold) nodules. The tissue samples were fixed chemically and embedded in methacrylate resin to ensure preservation of organified iodine, and thin sections were analyzed by AIM. 127I was found in the follicular lumina and follicular epithelial cells of most specimens. The local concentration of 127I, which is proportional to the ratio of the two secondary ion beam currents of iodine and carbon, was evaluated in 30 follicular lumina and 30 follicular epithelial cells of each specimen. In normal tissue, the relative 127I concentration within follicular cells (mean, 0.72; range 0.01-8.30) was much lower than that in follicular lumina (mean, 4.63; range, 0.18-36.74). In simple goiter tissue, follicular lumen (mean, 0.57; range, 0.00-5.76), and cell (mean, 0.17; range, 0.002-1.82) relative 127I concentrations were below normal, but both distributions remained different. On the contrary, in toxic nodular goiter tissue the follicular cell relative 127I concentration (mean, 0.96; range, 0.003-27.3) largely overlapped that of the follicular lumina (mean, 2.1; range, 0.001-36.5). The cold nodules had the lowest relative follicular lumina 127I concentration (mean, 0.008; range, undetectable-0.07), and the relative cellular 127I concentrations were undetectable in 67%. These results demonstrate the capacity of AIM to characterize the functional activity of thyroid tissue without prior administration of radio-iodine

  2. 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.)

  3. Development of versatile multiaperture negative ion sources

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-08

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

  4. An examination of the factors related to dating violence perpetration among young men and women and associated theoretical explanations: a review of the literature.

    Science.gov (United States)

    Dardis, Christina M; Dixon, Kristiana J; Edwards, Katie M; Turchik, Jessica A

    2015-04-01

    This article provides a review of the literature on dating violence (DV) perpetration, specifically sex similarities and differences in the correlates and predictors of DV perpetration and the utility of current theories to explain young men's and women's DV perpetration. Overall, many of the correlates and predictors of DV perpetration are similar among young men and women (e.g., witnessing interparental violence, experiencing child abuse, alcohol abuse, traditional gender roles, relationship power dynamics). However, young women's perpetration of DV is more strongly related to internalizing symptoms (e.g., depression), trait anger and hostility, and experiencing DV victimization than young men's perpetration, whereas young men's perpetration of DV is more consistently related to lower socioeconomic status and educational attainment, antisocial personality characteristics, and increased relationship length than young women's perpetration. Each theory offers insights into but does not fully account for the correlates and predictors of DV perpetration. Sociocultural theories may be useful in explaining the use of coercive control in relationships, and learning/intergenerational transmission of violence theories may be useful in explaining bidirectional couple violence. Future research should focus on integrative theories, such as in the social-ecological theory, in order to explain various forms of DV. Our understanding of young men's and young women's DV perpetration is limited by cross-sectional research designs, methodological inconsistencies, a lack of sex-specific analytic approaches, and a lack of focus on contextual factors; more multivariate and longitudinal studies are needed. Further, as DV prevention programming is often presented in mixed-sex formats, a critical understanding of sex differences and similarities in DV perpetration could ultimately refine and improve effectiveness of programming efforts aimed at reducing DV. © The Author(s) 2014.

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-07-01

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

  12. 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...

  13. 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.

  14. Acid-sensing ion channels contribute to chemosensitivity of breathing-related neurons of the nucleus of the solitary tract.

    Science.gov (United States)

    Huda, Rafiq; Pollema-Mays, Sarah L; Chang, Zheng; Alheid, George F; McCrimmon, Donald R; Martina, Marco

    2012-10-01

    Cellular mechanisms of central pH chemosensitivity remain largely unknown. The nucleus of the solitary tract (NTS) integrates peripheral afferents with central pathways controlling breathing; NTS neurons function as central chemosensors, but only limited information exists concerning the ionic mechanisms involved. Acid-sensing ion channels (ASICs) mediate chemosensitivity in nociceptive terminals, where pH values ∼6.5 are not uncommon in inflammation, but are also abundantly expressed throughout the brain where pHi s tightly regulated and their role is less clear. Here we test the hypothesis that ASICs are expressed in NTS neurons and contribute to intrinsic chemosensitivity and control of breathing. In electrophysiological recordings from acute rat NTS slices, ∼40% of NTS neurons responded to physiological acidification (pH 7.0) with a transient depolarization. This response was also present in dissociated neurons suggesting an intrinsic mechanism. In voltage clamp recordings in slices, a pH drop from 7.4 to 7.0 induced ASIC-like inward currents (blocked by 100 μM amiloride) in ∼40% of NTS neurons, while at pH ≤ 6.5 these currents were detected in all neurons tested; RT-PCR revealed expression of ASIC1 and, less abundantly, ASIC2 in the NTS. Anatomical analysis of dye-filled neurons showed that ASIC-dependent chemosensitive cells (cells responding to pH 7.0) cluster dorsally in the NTS. Using in vivo retrograde labelling from the ventral respiratory column, 90% (9/10) of the labelled neurons showed an ASIC-like response to pH 7.0, suggesting that ASIC currents contribute to control of breathing. Accordingly, amiloride injection into the NTS reduced phrenic nerve activity of anaesthetized rats with an elevated arterial P(CO(2)) .

  15. Nonlinear waves in plasma with negative ion

    International Nuclear Information System (INIS)

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

    1984-01-01

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

  16. Research in theoretical nuclear physics

    International Nuclear Information System (INIS)

    1993-06-01

    The introductory section describes the goals, main thrusts, and interrelationships between the various activities in the program and principal achievements of the Stony Brook Nuclear Theory Group during 1992--93. Details and specific accomplishments are related in abstract form. Current research is taking place in the following areas: strong interaction physics (the physics of hadrons, QCD and the nucleus, QCD at finite temperature and high density), relativistic heavy-ion physics, nuclear structure and nuclear many- body theory, and nuclear astrophysics

  17. 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.)

  18. 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

  19. 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.

  20. 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