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Sample records for conversion electron spectra

  1. Deconvolution of 238,239,240Pu conversion electron spectra measured with a silicon drift detector

    DEFF Research Database (Denmark)

    Pommé, S.; Marouli, M.; Paepen, J.

    2018-01-01

    Internal conversion electron (ICE) spectra of thin 238,239,240Pu sources, measured with a windowless Peltier-cooled silicon drift detector (SDD), were deconvoluted and relative ICE intensities were derived from the fitted peak areas. Corrections were made for energy dependence of the full...

  2. Synchrotron radiation-based Mössbauer spectra of {sup 174}Yb measured with internal conversion electrons

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, Ryo, E-mail: masudar@rri.kyoto-u.ac.jp; Kobayashi, Yasuhiro; Kitao, Shinji; Kurokuzu, Masayuki [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Saito, Makina [Beamline Spectroscopy/Scattering Group, Elettra-Sincrotrone Trieste, S. S. 14 Km 163.5, I-34149 Trieste (Italy); Yoda, Yoshitaka [Research and Utilization Division, Japan Synchrotron Radiation Research Institute, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Mitsui, Takaya [Condensed Matter Science Division, Japan Atomic Energy Agency, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Iga, Fumitoshi [College of Science, Ibaraki University, Mito, Ibaraki, 310-8512 (Japan); Seto, Makoto [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Condensed Matter Science Division, Japan Atomic Energy Agency, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan)

    2014-02-24

    A detection system for synchrotron-radiation (SR)-based Mössbauer spectroscopy was developed to enhance the nuclear resonant scattering counting rate and thus increase the available nuclides. In the system, a windowless avalanche photodiode (APD) detector was combined with a vacuum cryostat to detect the internal conversion (IC) electrons and fluorescent X-rays accompanied by nuclear de-excitation. As a feasibility study, the SR-based Mössbauer spectrum using the 76.5 keV level of {sup 174}Yb was observed without {sup 174}Yb enrichment of the samples. The counting rate was five times higher than that of our previous system, and the spectrum was obtained within 10 h. This result shows that nuclear resonance events can be more efficiently detected by counting IC electrons for nuclides with high IC coefficients. Furthermore, the windowless detection system enables us to place the sample closer to the APD elements and is advantageous for nuclear resonant inelastic scattering measurements. Therefore, this detection system can not only increase the number of nuclides accessible in SR-based Mössbauer spectroscopy but also allows the nuclear resonant inelastic scattering measurements of small single crystals or enzymes with dilute probe nuclides that are difficult to measure with the previous detection system.

  3. Conversion electron spectroscopy in transfermium nuclei

    International Nuclear Information System (INIS)

    Herzberg, R.D.

    2003-01-01

    Conversion electron spectroscopy is an essential tool for the spectroscopy of heavy deformed nuclei. The conversion electron spectrometer SACRED has been used in conjunction with the gas-filled recoil separator RITU to study conversion electron cascades in 254 No. The spectra reveal the ground state rotational bands down to low spin. A detailed analysis of the background seen for 254 No shows that approximately 40% of the decay path goes via excited high K bands which may be built on an isomer. (orig.)

  4. Conversion electrons in the SDC

    International Nuclear Information System (INIS)

    Wicklund, A.B.

    1991-01-01

    We summarize a preliminary analysis of the rates for conversion electrons in the SDC detector, relative to other interesting sources of prompt electrons. We have used Papageno V3.30, and other available NLO calculations to estimate inclusive rates in the central region (η less than 2.0), and we have cross checked these using CDF data at 1.8 TeV. We have considered three sources of ''isolated'' electrons, namely inclusive W/Z production; top quark (Mt=140); and QCD prompt photon production, followed by conversion in 10% XO. This value approximates the inner silicon detector at SDC. Additional conversions will occur in the outer tracking chamber, but the trigger and track reconstruction efficiency will be lower. We have also considered ''nonisolated'' leptons coming from inclusive bottom production, photon conversions resulting from π 0 ,η production in jets, and high pt hadrons faking electrons

  5. Electron spectrometers with internal conversion

    International Nuclear Information System (INIS)

    Suita, J.C.; Lemos Junior, O.F.; Auler, L.T.; Silva, A.G. da

    1981-01-01

    The efforts that the Department of Physics (DEFI) of Institute of Nuclear Engineering (IEN) are being made aiming at adjusting the electron spectrometers with internal conversion to its necessity, are shown. (E.G.) [pt

  6. Polarization of electron cyclotron emission spectra in LHD

    International Nuclear Information System (INIS)

    Vries, P.C. de; Nagayama, Y.; Kawahata, K.; Inagaki, S.; Sasao, H.; Nagasaki, K.

    1999-07-01

    Electron cyclotron emission (ECE) can be used to determine the electron temperature profile in magnetized plasmas. The complex structure of the magnetic field configuration in the Large Helical Device (LHD), which has a large shear, complicates the analysis of the ECE spectrum. In a sheared magnetic field the propagation of X and O-mode polarization through the plasma are coupled, causing mode conversion and polarization rotation. Mode scrambling is also caused by wall reflections. In this report, this mode conversion in LHD is numerically analyzed. It was found that at low density mode conversion scrambles the ECE spectra. However, at higher density (n eo > 1.0·10 19 m -3 ) the polarization mode is found to rotate with the sheared magnetic field, yielding only a negligible mode conversion. Wall reflections are found to depolarize the ECE spectrum. Notwithstanding the LHD magnetic configuration, it is shown that temperature profiles could be revealed from the ECE spectra. (author)

  7. Radial Basis Function Networks for Conversion of Sound Spectra

    Directory of Open Access Journals (Sweden)

    Carlo Drioli

    2001-03-01

    Full Text Available In many advanced signal processing tasks, such as pitch shifting, voice conversion or sound synthesis, accurate spectral processing is required. Here, the use of Radial Basis Function Networks (RBFN is proposed for the modeling of the spectral changes (or conversions related to the control of important sound parameters, such as pitch or intensity. The identification of such conversion functions is based on a procedure which learns the shape of the conversion from few couples of target spectra from a data set. The generalization properties of RBFNs provides for interpolation with respect to the pitch range. In the construction of the training set, mel-cepstral encoding of the spectrum is used to catch the perceptually most relevant spectral changes. Moreover, a singular value decomposition (SVD approach is used to reduce the dimension of conversion functions. The RBFN conversion functions introduced are characterized by a perceptually-based fast training procedure, desirable interpolation properties and computational efficiency.

  8. Alpha and conversion electron spectroscopy of 238,239Pu and 241Am and alpha-conversion electron coincidence measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dion, Michael P.; Miller, Brian W.; Warren, Glen A.

    2016-09-01

    A technique to determine the isotopics of a mixed actinide sample has been proposed by measuring the coincidence of the alpha particle during radioactive decay with the conversion electron (or Auger) emitted during the relaxation of the daughter isotope. This presents a unique signature to allow the deconvolution of isotopes that possess overlapping alpha particle energy. The work presented here are results of conversion electron spectroscopy of 241Am, 238Pu and 239Pu using a dual-stage peltier-cooled 25 mm2 silicon drift detector. A passivated ion implanted planar silicon detector provided measurements of alpha spectroscopy. The conversion electron spectra were evaluated from 20–55 keV based on fits to the dominant conversion electron emissions, which allowed the relative conversion electron emission intensities to be determined. These measurements provide crucial singles spectral information to aid in the coincident measurement approach.

  9. Electronic spectra of astrophysically interesting cations

    Energy Technology Data Exchange (ETDEWEB)

    Maier, John P., E-mail: j.p.maier@unibas.ch; Rice, Corey A., E-mail: j.p.maier@unibas.ch; Mazzotti, Fabio J., E-mail: j.p.maier@unibas.ch; Johnson, Anatoly, E-mail: j.p.maier@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstr. 80, CH-4056 Basel (Switzerland)

    2015-01-22

    The electronic spectra of polyacetylene cations were recorded at 20K in the laboratory in an ion trap instrument. These can then be compared with diffuse interstellar band (DIB) absorptions. Examination of recently published data shows that the attribution of a weak DIB at ∼506.9 nm to diacetylene cation is not justified. Study of the higher excited electronic states of polyacetylene cations shows that their widths can still be sufficiently narrow for consideration as DIB carriers.

  10. Theory of optical spectra of solvated electrons

    International Nuclear Information System (INIS)

    Kestner, N.R.

    1975-01-01

    During the last few years better theoretical models of solvated electron have been developed. These models allow one to calculate a priori the observable properties of the trapped electron. One of the most important and most widely determined properties is the optical spectrum. In this paper we consider the predictions of the theories not only as to the band maximum but line shape and width. In addition we will review how the theories predict these will depend on the solvent, pressure, temperature, and solvent density. In all cases extensive comparisons will be made with experimental work. In addition four new areas will be explored and recent results will be presented. These concern electrons in dense polar gases, the time development of the solvated electron spectrum, solvated electrons in mixed solvents, and photoelectron emission spectra (PEE) as it relates to higher excited states. This paper will review all recent theoretical calculations and present a critical review of the present status and future developments which are anticipated. The best theories are quite successful in predicting trends, and qualitative agreement concerning band maximum. The theory is still weak in predicting line shape and line width

  11. Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

    International Nuclear Information System (INIS)

    Brainerd, J.J.

    1987-01-01

    Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts. 13 references

  12. Theoretical investigations of molecular wires: Electronic spectra and electron transport

    Science.gov (United States)

    Palma, Julio Leopoldo

    The results of theoretical and computational research are presented for two promising molecular wires, the Nanostar dendrimer, and a series of substituted azobenzene derivatives connected to aluminum electrodes. The electronic absorption spectra of the Nanostar (a phenylene-ethynylene dendrimer attached to an ethynylperylene chromophore) were calculated using a sequential Molecular Dynamics/Quantum Mechanics (MD/QM) method to perform an analysis of the temperature dependence of the electronic absorption process. We modeled the Nanostar as a series of connected units, and performed MD simulations for each chromophore at 10 K and 300 K to study how the temperature affected the structures and, consequently, the spectra. The absorption spectra of the Nanostar were computed using an ensemble of 8000 structures for each chromophore. Quantum Mechanical (QM) ZINDO/S calculations were performed for each conformation in the ensemble, including 16 excited states, for a total of 128,000 excitation energies. The spectral intensity was then scaled linearly with the number of conjugated units. Our calculations for both the individual chromophores and the Nanostar, are in good agreement with experiments. We explain in detail the effects of temperature and the consequences for the absorption process. The second part of this thesis presents a study of the effects of chemical substituents on the electron transport properties of the azobenzene molecule, which has been proposed recently as a component of a light-driven molecular switch. This molecule has two stable conformations (cis and trans) in its electronic ground state, with considerable differences in their conductance. The electron transport properties were calculated using first-principles methods combining non-equilibrium Green's function (NEGF) techniques with density functional theory (DFT). For the azobenzene studies, we included electron-donating groups and electron-withdrawing groups in meta- and ortho-positions with

  13. Ultrafast Electron Dynamics in Solar Energy Conversion.

    Science.gov (United States)

    Ponseca, Carlito S; Chábera, Pavel; Uhlig, Jens; Persson, Petter; Sundström, Villy

    2017-08-23

    Electrons are the workhorses of solar energy conversion. Conversion of the energy of light to electricity in photovoltaics, or to energy-rich molecules (solar fuel) through photocatalytic processes, invariably starts with photoinduced generation of energy-rich electrons. The harvesting of these electrons in practical devices rests on a series of electron transfer processes whose dynamics and efficiencies determine the function of materials and devices. To capture the energy of a photogenerated electron-hole pair in a solar cell material, charges of opposite sign have to be separated against electrostatic attractions, prevented from recombining and being transported through the active material to electrodes where they can be extracted. In photocatalytic solar fuel production, these electron processes are coupled to chemical reactions leading to storage of the energy of light in chemical bonds. With the focus on the ultrafast time scale, we here discuss the light-induced electron processes underlying the function of several molecular and hybrid materials currently under development for solar energy applications in dye or quantum dot-sensitized solar cells, polymer-fullerene polymer solar cells, organometal halide perovskite solar cells, and finally some photocatalytic systems.

  14. In-beam conversion electron spectroscopy using the SACRED array

    International Nuclear Information System (INIS)

    Jones, P.M.; Cann, K.J.; Cocks, J.F.C.; Jones, G.D.; Julin, R.; Schulze, B.; Smith, J.F.; Wilson, A.N.

    1997-01-01

    Conversion electron studies of medium-heavy to heavy nuclear mass systems are important where the internal conversion process begins to dominate over gamma-ray emission. The use of a segmented detector array sensitive to conversion electrons has been used to study multiple conversion electron cascades from nuclear transitions. The application of the silicon array for conversion electron detection (SACRED) for in-beam measurements has successfully been implemented. (orig.). With 2 figs

  15. Implementation of the Electron conversion Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Hernandez, Torres, D.; Noriega Scull, C.

    1996-01-01

    In the present work has been exposed the principles of the Conversion Moessbauer Electron Spectroscopy and its possibilities of application. Is also described the operation of the parallel plate avalanche detector made at the CEADEN starting from modifications done to the Gancedo's model and is exposed examples of the use of this detector in the characterization of corroded surfaces, with chemical cleaning and in samples of welded joints. The experiences obtained of this work were extended to the National Polytechnic Institute of Mexico where a similar detector, made in our center, was installed there

  16. A simple method for conversion of airborne gamma-ray spectra to ground level doses

    DEFF Research Database (Denmark)

    Korsbech, Uffe C C; Bargholz, Kim

    1996-01-01

    A new and simple method for conversion of airborne NaI(Tl) gamma-ray spectra to dose rates at ground level has been developed. By weighting the channel count rates with the channel numbers a spectrum dose index (SDI) is calculated for each spectrum. Ground level dose rates then are determined...... by multiplying the SDI by an altitude dependent conversion factor. The conversion factors are determined from spectra based on Monte Carlo calculations. The results are compared with measurements in a laboratory calibration set-up. IT-NT-27. June 1996. 27 p....

  17. Conversion electron spectrometry of Pu isotopes with a silicon drift detector.

    Science.gov (United States)

    Pommé, S; Paepen, J; Peräjärvi, K; Turunen, J; Pöllänen, R

    2016-03-01

    An electron spectrometry set-up was built at IRMM consisting of a vacuum chamber with a moveable source holder and windowless Peltier-cooled silicon drift detector (SDD). The SDD is well suited for measuring low-energy x rays and electrons emitted from thin radioactive sources with low self-absorption. The attainable energy resolution is better than 0.5keV for electrons of 30keV. It has been used to measure the conversion electron spectra of three plutonium isotopes, i.e. (238)Pu, (239)Pu, (240)Pu, as well as (241)Am (being a decay product of (241)Pu). The obtained mixed x-ray and electron spectra are compared with spectra obtained with a close-geometry set-up using another SDD in STUK and spectra measured with a Si(Li) detector at IRMM. The potential of conversion electron spectrometry for isotopic analysis of mixed plutonium samples is investigated. With respect to the (240)Pu/(239)Pu isotopic ratio, the conversion electron peaks of both isotopes are more clearly separated than their largely overlapping peaks in alpha spectra. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  18. Electron energy-loss spectra in molecular fluorine

    Science.gov (United States)

    Nishimura, H.; Cartwright, D. C.; Trajmar, S.

    1979-01-01

    Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.

  19. Alpha and conversion electron spectroscopy of {sup 238,239}Pu and {sup 241}Am and alpha-conversion electron coincidence measurements

    Energy Technology Data Exchange (ETDEWEB)

    Dion, Michael P., E-mail: michael.dion@pnnl.gov; Miller, Brian W.; Warren, Glen A.

    2016-09-11

    A technique to determine the isotopic constituents of a mixed actinide sample has been proposed by a coincident alpha-conversion electron measurement. This presents a unique signature to allow the unfolding of isotopes that possess overlapping alpha particle energy and reduce backgrounds of an unseparated sample. The work presented here are results of conversion electron spectroscopy of {sup 241}Am, {sup 238}Pu and {sup 239}Pu using a dual-stage peltier-cooled 25 mm{sup 2} silicon drift detector and alpha spectroscopy with a passivated ion implanted planar silicon detector. The conversion electron spectra were evaluated from 20–55 keV based on fits to the dominant conversion electron emissions, which allowed the relative conversion electron emission intensities to be determined. These measurements provide crucial singles spectral information and calibration to aid in the coincident measurement approach. Furthermore, an alpha-conversion electron spectrometer was assembled using the silicon based detectors described and results of a coincident spectrum analysis is reported for {sup 241}Am.

  20. The measurement of internal conversion electrons of selected nuclei: A physics undergraduate laboratory experience

    International Nuclear Information System (INIS)

    Nagy, P.; Duggan, J.L.; Desmarais, D.

    1992-01-01

    Thin sources are now commercially available for a wide variety of isotopes that have measurable internal conversion coefficients. The authors have used standard surface barrier detectors, NIM electronics, and a personal computer analyzer to measure conversion electrons from a few of these sources. Conversion electrons energy and intensity were measured for 113 Sn, 133 Ba, 137 Cs, and 207 Bi. From the measured spectra the innershell binding energies of the K ampersand L Shell electrons from the daughter nuclei were determined and compared to theory. The relative conversion coefficients a k /a L and the K/L ration were also measured. The spin and parity change of the transitions will also be assigned based on the selection rules of the transitions

  1. Photoelectron spectra and electronic structure of some spiroborate complexes

    Energy Technology Data Exchange (ETDEWEB)

    Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

    2014-12-15

    Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

  2. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    International Nuclear Information System (INIS)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1. - Highlights: • Easy-to-use graphical interface for assigning and understanding molecular spectra. • Simulates rotational and vibrational structure of many types of molecular spectra. • Fits molecular properties to line positions or spectral contours. • Handles linear molecules and symmetric and asymmetric tops. • Handles perturbations, nuclear and electron spin, and electric and magnetic fields.

  3. Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

    Energy Technology Data Exchange (ETDEWEB)

    Abbate, Sergio, E-mail: abbate@med.unibs.it [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Longhi, Giovanna; Lebon, France [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Tommasini, Matteo [Dipartimento di Chimica, Materiali e Ingegneria Chimica ' G. Natta' , Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Consorzio Interuniversitario per la Scienza e Tecnologia dei Materiali (INSTM), Unita di Ricerca del Politecnico di Milano (Dip. CMIC), Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2012-09-11

    Highlights: Black-Right-Pointing-Pointer ECD and VCD Spectra of (R)-(-)-apomorphine measured in various solvents. Black-Right-Pointing-Pointer DFT calculations allow to study the protonation state and conformations. Black-Right-Pointing-Pointer Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  4. Derivation of electron and photon energy spectra from electron beam central axis depth dose curves

    Energy Technology Data Exchange (ETDEWEB)

    Deng Jun [Department of Radiation Oncology, Stanford University School of Medicine, Stanford, CA 94305 (United States)]. E-mail: jun@reyes.stanford.edu; Jiang, Steve B.; Pawlicki, Todd; Li Jinsheng; Ma, C.M. [Department of Radiation Oncology, Stanford University School of Medicine, Stanford, CA 94305 (United States)

    2001-05-01

    A method for deriving the electron and photon energy spectra from electron beam central axis percentage depth dose (PDD) curves has been investigated. The PDD curves of 6, 12 and 20 MeV electron beams obtained from the Monte Carlo full phase space simulations of the Varian linear accelerator treatment head have been used to test the method. We have employed a 'random creep' algorithm to determine the energy spectra of electrons and photons in a clinical electron beam. The fitted electron and photon energy spectra have been compared with the corresponding spectra obtained from the Monte Carlo full phase space simulations. Our fitted energy spectra are in good agreement with the Monte Carlo simulated spectra in terms of peak location, peak width, amplitude and smoothness of the spectrum. In addition, the derived depth dose curves of head-generated photons agree well in both shape and amplitude with those calculated using the full phase space data. The central axis depth dose curves and dose profiles at various depths have been compared using an automated electron beam commissioning procedure. The comparison has demonstrated that our method is capable of deriving the energy spectra for the Varian accelerator electron beams investigated. We have implemented this method in the electron beam commissioning procedure for Monte Carlo electron beam dose calculations. (author)

  5. Electron impact spectra of methane, ethane, and neopentane

    International Nuclear Information System (INIS)

    Johnson, K.E.; Kim, K.; Johnston, D.B.; Lipsky, S.

    1979-01-01

    Electron impact spectra of methane, ethane, and neopentane have been obtained at scattering angles of 0 0 and 90 0 and at impact energies from approx. =30 to 250 eV. The data are consistent with the lowest excitation in all of these systems to involve promotion of an electron to a 3s Rydberg-like orbital. Differences between 0 0 and 90 0 onsets are attributed to large-angle intensity enhancements of transitions to the 3s Rydberg triplets. At 90 0 all of the spectra exhibit very similar intensity redistributions with strong enhancement of transitions in the 12 and 15 eV region as compared to lower-lying transitions. Assignments of the spectra and possible origins of the angular dependence are discussed

  6. Conversion electron spectrometry of Pu isotopes with a silicon drift detector

    OpenAIRE

    Pommé, S.; Paepen, J.; Peräjärvi, K.; Turunen, J.; Pöllänen, R.

    2016-01-01

    An electron spectrometry set-up was built at IRMM consisting of a vacuum chamber with a moveable source holder and windowless Peltier-cooled silicon drift detector (SDD). The SDD is well suited for measuring low-energy x rays and electrons emitted from thin radioactive sources with low self-absorption. The attainable energy resolution is better than 0.5 keV for electrons of 30 keV. It has been used to measure the conversion electron spectra of three plutonium isotopes, i.e. 238Pu, 239Pu, 240P...

  7. Emission spectra of dimethoxybenzenes by controlled electron impact

    International Nuclear Information System (INIS)

    Ogawa, Teiichiro; Imasaka, Totaro; Toyoda, Minoru; Tsuji, Masaharu; Ishibashi, Nobuhiko

    1975-01-01

    The emission spectra of o-, m-, and p-dimethoxybenzenes under controlled electron impact excitation (200 eV) were measured in the 220 - 450 nm region at very low pressures. The photoemissions of the excited parent species and such fragment species as H, CH, CO, and CO + were observed and assigned. The relative intensities of the photoemissions of the parent species were compared with those of the fluorescence spectra (photoexcitation) in an n-hexane solution. The excited parent species, H, and CH were concluded to be produced in one-electron processes; however, the CO + species were assumed to be produced in both one- and two-electron processes, and the relative contributions are evaluated. It was concluded that the rate of the predissociation of o-dimethoxybenzene was faster than those of the other two isomers, and the observed characteristics of o-dimethoxybenzene had something to do with this faster rate. (auth.)

  8. Calculation of conversion coefficients for clinical photon spectra using the MCNP code.

    Science.gov (United States)

    Lima, M A F; Silva, A X; Crispim, V R

    2004-01-01

    In this work, the MCNP4B code has been employed to calculate conversion coefficients from air kerma to the ambient dose equivalent, H*(10)/Ka, for monoenergetic photon energies from 10 keV to 50 MeV, assuming the kerma approximation. Also estimated are the H*(10)/Ka for photon beams produced by linear accelerators, such as Clinac-4 and Clinac-2500, after transmission through primary barriers of radiotherapy treatment rooms. The results for the conversion coefficients for monoenergetic photon energies, with statistical uncertainty <2%, are compared with those in ICRP publication 74 and good agreements were obtained. The conversion coefficients calculated for real clinic spectra transmitted through walls of concrete of 1, 1.5 and 2 m thick, are in the range of 1.06-1.12 Sv Gy(-1).

  9. Electronic spectra and structures of some biologically important xanthines

    Science.gov (United States)

    Shukla, M. K.; Mishra, P. C.

    1994-08-01

    Electronic absorption and fluorescence spectra of aqueous solutions of xanthine, caffeine, theophylline and theobromine have been studied at different pH. The observed spectra have been interpreted in terms of neutral and ionic forms of the molecules with the help of molecular orbital calculations. At neutral and acidic pH, the spectra can be assigned to the corresponding most stable neutral forms, with the exception that the fluorescence of xanthine at acidic pH appears to originate from the lowest singlet excited state of a cation of the molecule. At alkaline pH, xanthine and theophylline exist mainly as their monoanions. In xanthine and theophylline at alkaline pH, fluorescence originates from the lowest singlet excited state of the corresponding anion. However, in caffeine and theobromine, even at alkaline pH, fluorescence belongs to the neutral species. On the whole, the properties of xanthine are quite different from those of the methyl xanthines.

  10. Electronic spectra from TDDFT and machine learning in chemical space

    International Nuclear Information System (INIS)

    Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

    2015-01-01

    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities

  11. Electronic spectra from TDDFT and machine learning in chemical space

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

    2015-08-28

    Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

  12. Gas flow counter conversion electron Moessbauer spectroscopy (GFC-CEMS)

    International Nuclear Information System (INIS)

    Williamson, A.; Vijay, Y.K.; Jain, I.P.

    1999-01-01

    Conversion Electron Moessbauer Spectroscopy (CEMS) is well established technique to study surface properties of materials. However non availability of commercial experimental set up and complexity of operational parameters have been restricting the working experimental groups with in the country and abroad. In this paper we have presented the development work for the design of Gas Flow Counter (GFC), e.g. convenient sample mount, grounding, steady flow rate adjustment and minimum He-losses so that the detector operation and installation becomes convenient and dependable. The basic design is modified e.g. large volume to maintain steady gas flow, sample mount close to central wire and O-ring fitted flange. The CEMS spectra are recorded using conventional Moessbauer drive and 57 Co source. The calibrated spectrum shows a detection efficiency of about 20% for natural iron and steel foil. The CEMS spectrum for FeTi bulk and transmission Moessbauer Spectroscopy (TMS) spectrum of FeTi thin film deposited by vacuum evaporation on thin glass substrate were recorded to test the performance of GFC-CEMS. (author)

  13. Electronic energy spectra in antiferromagnetic media with broken reciprocity

    International Nuclear Information System (INIS)

    Vitebsky, I.; Edelkind, J.; Bogachek, E.N.; Scherbakov, A.G.; Landman, U.

    1997-01-01

    Electronic energy spectra var-epsilon(q) of antiferromagnetically ordered media may display nonreciprocity; that is, the energies corresponding to Bloch states with wave numbers q and -q may be different. In this paper a simple Kronig-Penney model, which includes a staggered microscopic magnetic and electric fields of the proper symmetry, is employed to estimate the magnitude of nonreciprocity effects in systems such as antiferromagnetically ordered crystals as well as periodical layered structures. copyright 1997 The American Physical Society

  14. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    Science.gov (United States)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

  15. Comparison of optical and electron spectra in an infra-red free electron laser

    Energy Technology Data Exchange (ETDEWEB)

    MacLeod, A.M.; Gillespie, W.A.; Martin, P.F. [Univ. of Abertay, Dundee (United Kingdom)] [and others

    1995-12-31

    Time-resolved electron and optical spectra recently acquired at the FELIX facility are presented, showing the evolution of the respective macropulses. A comparison is made between the optical power output during the macropulse and the measured power extracted from the electron beam using a simple model of the cavity losses. Data are available for a wide range of operating conditions: the wavelength range is from 9 {mu}m to 28 {mu}m and detuning are between 1/4{lambda} and 2{lambda}. The effect of rapid electron beam energy changes on the optical and electron spectra will also be discussed.

  16. Electron impact spectra of some mono-olefinic hydrocarbonsa)

    International Nuclear Information System (INIS)

    Johnson, K.E.; Johnston, D.B.; Lipsky, S.

    1979-01-01

    Electron impact spectra of ethylene, propylene, isobutene, trans-butene, cis-butene, trimethylethylene, and tetramethylethylene have been obtained at scattering angles of 0 0 and 90 0 and at impact energies from approx. =20 to 150 eV. The spectra scan an energy-loss region from 2.5--15 eV. All of the observed Rydberg transitions of the methyl derivatives are correlated to corresponding Rydberg transitions of ethylene. The missing π→3p transitions of ethylene are tentatively located via this correlation. Evidence is also presented for assigning the N→3R' system of ethylene (at 8.26 eV) to a π→3p/sub x/ transition. Possible assignments of some broad continua above approx. =8--9eV as sigma→π* and sigma→sigma* transitions are considered. In agreement with other reported large-angle electron impact spectra, no evidence is obtained for transitions that could be assigned to triplet Rydberg states. However the π→π* triplet transitions are all clearly located with transition energies in good agreement with those obtained by a variety of other techniques

  17. Search for Muon to electron conversion at J-PARC

    Energy Technology Data Exchange (ETDEWEB)

    Collaboration: Chen Wu on behalf of the COMET Collaboration

    2016-12-15

    This article introduces the search for muon to electron conversion at J-PARC, namely COMET (COherent Muon Electron Transition) experiment, including a brief introduction of its physics motivation, a detailed description of COMET experiment and its staged approach, and an overview of its current status.

  18. Electronic structure and photoelectron spectra of boron beta-diketonates

    International Nuclear Information System (INIS)

    Borisenko, A.V.; Vovna, V.I.

    1990-01-01

    Photoelectron spectra and data of semiempirical (MNDO, CNDO/2, CNDO/S, INDO) and nonempirical (with STO-3G basis) methods of calculation were obtained to analyse the electronic structure of boron-containing diketonate cycle and the influence of substitution effect (aromatic substituents in particular) on it. The sequence and the character of upper occupied MO were determined; the nature of bond of the fragment X 2 B + and AA was established; charges of six-membered ion and influence of substituents on their values were determined. 13 refs.; 5 figs.; 4 tabs

  19. Correlation of the Auger electrons direction of movement with the internal electron conversion direction of movement

    International Nuclear Information System (INIS)

    Mitrokhovich, N.F.; Kupryashkin, V.T.; Sidorenko, L.P.

    2013-01-01

    On installation of coincidences of γ-quanta with electrons and with law energy electrons about zero area the spatial correlation of the direction emitting Auger-electrons and electron of internal conversion was investigated at the 152 Eu decay. Auger-electrons were registered on e 0 -electrons of the secondary electron emission (γ e IC e 0 -coincidences). It was established, that Auger-electrons of M-series, as well as electrons 'shake-off' at β-decay and internal conversion, are strongly correlated at the direction of movement with the direction of movement of basic particle (β -particle, conversion electron), moving together mainly in the forward hemisphere. The intensity of correlated M-Auger radiation in range energy 1000 - 1700 eV is equal to intensity of correlated radiation 'shake-off' electron from internal conversion in this range. The assumption, that the presence of spatial correlating Auger-electron and conversion electron caused by cur-rent components of electron-electron interaction of particles in the final state is made

  20. On the merits of conversion electron Mossbauer spectroscopy in geosciences

    DEFF Research Database (Denmark)

    Gunnlaugsson, H.P.; Bertelsen, P.; Budtz-Jørgensen, Carl

    2006-01-01

    Described are some applications of conversion electron Mossbauer spectroscopy (CEMS) in geosciences. It is shown how easily this technique can be applied in existing Mossbauer laboratories to investigate natural samples. Some examples demonstrate the kind of information CEMS can give on the weath......Described are some applications of conversion electron Mossbauer spectroscopy (CEMS) in geosciences. It is shown how easily this technique can be applied in existing Mossbauer laboratories to investigate natural samples. Some examples demonstrate the kind of information CEMS can give...

  1. Very local interstellar spectra for galactic electrons, protons and helium

    Energy Technology Data Exchange (ETDEWEB)

    Potgieter, Marius S., E-mail: Marius.Potgieter@nwu.ac.za [Centre for Space Research, North-West University (South Africa)

    2014-07-01

    The local interstellar spectra (LIS) for cosmic rays at energies below ∼30 GeV/nuc are increasingly obscured from view at Earth by solar modulation, the lower the energy becomes. These charged particles encounter significant changes in the heliosphere, over an 11-year cycle, which include processes such as convection, diffusion, adiabatic energy losses and gradient, curvature and current sheet drifts. Particle drifts cause charge-sign-dependent modulation and a 22-year cycle, adding complexity to determining the respective very LIS from observations only at Earth. However, with measurements now made by the Voyager 1 spacecraft in the vicinity of the helio pause, it is possible to determine a very LIS for galactic electrons between ∼5 and ∼120 MeV. At these low energies, also galactic protons observed in the outer heliosphere had been completely obscured by the so-called anomalous component which is accelerated inside the helio sheath. Since August 2012, these anomalous cosmic rays are substantially depleted at Voyager 1 so that for cosmic ray ions, it is now possible to obtain a lower limit to their very LIS. Combining numerical modelling of solar modulation with the accurate measurements by the PAMELA mission and with Voyager observations, the lower limit of the very LIS for electrons, protons and helium and other ions can be determined from ∼5 MeV and above. These spectra are called helio pause spectra which is considered to be the lowest possible very LIS. Also, from an astrophysics point of view, the determination of what can be called a very LIS, not just an averaged galactic spectrum, is encouraging. The mentioned aspects are discussed, focusing on a comparison of recent heliospheric observations and corresponding solar modulation modelling. (author)

  2. Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA)

    Science.gov (United States)

    SRD 100 Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA) (PC database for purchase)   This database has been designed to facilitate quantitative interpretation of Auger-electron and X-ray photoelectron spectra and to improve the accuracy of quantitation in routine analysis. The database contains all physical data needed to perform quantitative interpretation of an electron spectrum for a thin-film specimen of given composition. A simulation module provides an estimate of peak intensities as well as the energy and angular distributions of the emitted electron flux.

  3. Modeling Blazar Spectra by Solving an Electron Transport Equation

    Science.gov (United States)

    Lewis, Tiffany; Finke, Justin; Becker, Peter A.

    2018-01-01

    Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.

  4. Development of a mini-orange spectrometer for conversion electron study

    International Nuclear Information System (INIS)

    Mishra, N.R.; Chakravarty, V.; Chintalapudi, S.N.; Ghugre, S.S.; Sastry, D.L.

    1996-01-01

    Conversion electrons provide with an unique tool to have an unambiguous multipolarity assignment for the observed gamma transitions. The fabrication of an electron spectrometer to detect these conversion electrons is a non-trivial task

  5. Theoretical microcontact spectra of metal electron-phonon coupling

    International Nuclear Information System (INIS)

    Kulagina, T.N.; Zhernov, A.P.

    1987-01-01

    Theoretical and experimental microcontact spectra of simple and certain transition metals are discussed. The Eliashberg thermodynamic functions for the metals are considered, as well as correlations between spectra peculiarities and parameters of metals and microbridge models

  6. Study of optical and electronic properties of nickel from reflection electron energy loss spectra

    Science.gov (United States)

    Xu, H.; Yang, L. H.; Da, B.; Tóth, J.; Tőkési, K.; Ding, Z. J.

    2017-09-01

    We use the classical Monte Carlo transport model of electrons moving near the surface and inside solids to reproduce the measured reflection electron energy-loss spectroscopy (REELS) spectra. With the combination of the classical transport model and the Markov chain Monte Carlo (MCMC) sampling of oscillator parameters the so-called reverse Monte Carlo (RMC) method was developed, and used to obtain optical constants of Ni in this work. A systematic study of the electronic and optical properties of Ni has been performed in an energy loss range of 0-200 eV from the measured REELS spectra at primary energies of 1000 eV, 2000 eV and 3000 eV. The reliability of our method was tested by comparing our results with the previous data. Moreover, the accuracy of our optical data has been confirmed by applying oscillator strength-sum rule and perfect-screening-sum rule.

  7. Testing of the SPEDE conversion electron spectrometer at ISOLDE

    CERN Document Server

    AUTHOR|(CDS)2157167

    2017-04-24

    The aim of this work was to test the performance of the SPEDE detector in the MINIBALL setup at CERN’s ISOLDE laboratory. The main research objective of MINIBALL is to study properties of atomic nuclei employing radioactive ion beams. Radioactive Bi-207 and Hg-191 were used in this experiment. SPEDE detects internal conversion electrons which are created in transitions between states in atomic nucleus. The internal conversion is competing process to more common γ-ray emission. This way it is possible to measure different properties of nuclear structure for example the E0-transitions. The simultaneous γ and electron measurements are possible when SPEDE is used in conjunction with the MINIBALL spectrometer. The GEANT4 simulation results were used to help interpretation of experimental results. As a result, αK/L-ratio was determined for Bi-207 conversion electrons, for the 5^2− -> 1^2− transition αK/L = 3.29±0.06 and for the 13^2+-> 5^2− transition αK/L = 3.11±0.05 were obtained. Also, the partial...

  8. Electronic Raman spectra in iron-based superconductors with two-orbital model

    International Nuclear Information System (INIS)

    Lu Hongyan; Wang Da; Chen San; Wang Wei; Gong Pifeng

    2011-01-01

    Electronic Raman spectra were calculated in orbital space in a microscopic theory. Both Raman spectra and spectra weight were presented. Raman spectra for the gap symmetries are different from each other. The results can help decide the gap symmetry by comparing with experiments. Electronic Raman spectra in iron-based superconductors with two-orbital model is discussed. In the orbital space, some possible pairing symmetries of the gap are selected. To further discriminate them, electronic Raman spectra and spectra weight at Fermi surface (FS) which helps understand the Raman spectra are calculated in each case. From the low energy threshold, the number of Raman peaks, and the low frequency power law behavior, we can judge whether it is full gap or nodal gap, and even one gap or multi-gaps. The results provide useful predictions for comparison with experiments.

  9. Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

    Science.gov (United States)

    Tretiak, Sergei

    2014-03-01

    The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

  10. Modeling power electronics and interfacing energy conversion systems

    CERN Document Server

    Simões, Marcelo Godoy

    2017-01-01

    Discusses the application of mathematical and engineering tools for modeling, simulation and control oriented for energy systems, power electronics and renewable energy. This book builds on the background knowledge of electrical circuits, control of dc/dc converters and inverters, energy conversion and power electronics. The book shows readers how to apply computational methods for multi-domain simulation of energy systems and power electronics engineering problems. Each chapter has a brief introduction on the theoretical background, a description of the problems to be solved, and objectives to be achieved. Block diagrams, electrical circuits, mathematical analysis or computer code are covered. Each chapter concludes with discussions on what should be learned, suggestions for further studies and even some experimental work.

  11. Microwave generation and frequency conversion using intense relativistic electron beams

    International Nuclear Information System (INIS)

    Buzzi, J.M.; Doucet, H.J.; Etlicher, B.

    1977-01-01

    Some aspects of the microwave generation and frequency conversion by relativistic electron beams are studied. Using an electron synchrotron maser, the excitation of microwaves by an annular relativistic electron beam propagating through a circular wave guide immersed in a longitudinal magnetic field is analyzed. This theoretical model is somewhat more realistic than the previous one because the guiding centers are not on the wave guide axis. Microwave reflection is observed on a R.E.B. front propagating into a gas filled waveguide. The frequency conversion from the incident X-band e.m. waves and the reflected Ka band observed signal is consistent with the Doppler model for β = 0.7. This value agrees with the average beam front velocity as measured from time-of-flight using two B/sub theta/ probes. The reflection is found to occur during the current rise time. With a low impedance device (2 Ω, 400 keV) a GW X-band emission has been observed using thin anodes and a gas filled waveguide. This emission is probably due to the self-fields of the beam and could be used as a diagnostic

  12. The {nu}MSM and muon to electron conversion experiments

    Energy Technology Data Exchange (ETDEWEB)

    Canetti, Laurent, E-mail: laurent.canetti@epfl.ch; Shaposhnikov, Mikhail, E-mail: mikhail.shaposhnikov@epfl.ch [EPFL, ITP (Switzerland)

    2013-03-15

    We review briefly the different constraints on the three right-handed neutrinos of the {nu}MSM, an extension of the Standard Model that can explain baryon asymmetry, dark matter and neutrino masses. We include in the discussion the proposed experiments on muon to electron conversion Mu2e (Carey et al., Mu2e Collaboration, 2012), COMET and PRISM (Hungerford, COMET Collaboration, AIP Conf Proc 1182:694, 2009; Cui et al., COMET Collaboration, 2012). We find that the expected sensitivity of these experiments is weaker by about two orders of magnitude than the constraints coming from successful baryogenesis.

  13. Electron-electron correlation, resonant photoemission and X-ray emission spectra

    International Nuclear Information System (INIS)

    Parlebas, J.C.; Kotani, Akio; Tanaka, Satoshi.

    1991-01-01

    In this short review paper we essentially focus on the high energy spectroscopies which involve second order quantum processes, i.e., resonance photoemission, Auger and X-ray emission spectroscopies, denoted respectively by RXPS, AES and XES. First, we summarize the main 3p-RXPS and AES results obtained in Cu and Ni metals; especially we recall that the satellite near the 3p-threshold in the spectra, which arises from a d-hole pair bound state, needs a careful treatment of the electron-electron correlation. Then we analyze the RXPS spectra in a few Ce compounds (CeO 2 , Ce 2 O 3 and CeF 3 ) involving 3d or 4d core levels and we interpret the spectra consistently with the other spectroscopies, such as core XPS and XAS which are first order quantum processes. Finally within the same one-impurity model and basically with the same sets of parameters, we review a theory for the Ce 5p→3d XES, as well as for the corresponding RXES, where (1) the incident X-ray is tuned to resonate with the 3d→4f transition and (2) the X-ray emission due to the 5p→3d transition is actually observed. The paper ends with a general discussion. (author) 77 refs

  14. Electronic and optical properties of doped oxides for energy conversion

    International Nuclear Information System (INIS)

    Silva, Antonio Ferreira da

    2016-01-01

    Full text: Photocatalytic materials have gained remarkable attention in the field of solar fuel production, which is a promising approach for efficient solar energy conversion and storage . Among other oxides, doped BiNb(Ta)O 4 , ZnO , SnO 2 , WO 3 and TiO 2 have been identified as potential photocatalytic materials due to their appropriate band gap energies. We have used high quality materials as for instance by the citrate method according to reference [1], a modified ion beam assisted deposition technique [2] and as titanium dioxide nanotubes (TiO 2 -NTs) arrays synthesized by electrochemical anodization [3]. We present the optical properties spectra of these materials using the X-ray Photoelectron Spectroscopy (XPS), Ellipsometry and first principles approach by DFT respectively [1,2]. In this work, position of reduction and oxidation level with respect to the vacuum level are identified for these materials. We can conclude that some of them are good candidates for the production of hydrogen by splitting of water in the presence of sunlight and for efficient solar energy conversion as well. [1] C. G. Almeida, R. B. Araujo, R. G. Yoshimura, A. J. S. Mascarenhas, A. Ferreira da Silva, C. M.Araujo, L. A. Silva,Int. J. Hyd. Energy 39, 1220 (2014). [2] M. Kumar, G.Baldissera, C.Persson, D.G.F.David ,M.V.S.da Silva , J.A.Freitas Jr., J.G. Tischler , J.F.D.Chubaci, M.Matsuoka , A.Ferreira da Silva, , J. of Crystal Growth 403, 124 (2014). [3] J. R. Gonzalez et all., Nanotechnology (2016 in press). (author)

  15. Electronic and optical properties of doped oxides for energy conversion

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Antonio Ferreira da, E-mail: ferreira.fis@gmail.com [Universidade Federal da Bahia (UFBA), Salvador (Brazil)

    2016-07-01

    Full text: Photocatalytic materials have gained remarkable attention in the field of solar fuel production, which is a promising approach for efficient solar energy conversion and storage . Among other oxides, doped BiNb(Ta)O{sub 4}, ZnO , SnO{sub 2}, WO{sub 3} and TiO{sub 2} have been identified as potential photocatalytic materials due to their appropriate band gap energies. We have used high quality materials as for instance by the citrate method according to reference [1], a modified ion beam assisted deposition technique [2] and as titanium dioxide nanotubes (TiO{sub 2}-NTs) arrays synthesized by electrochemical anodization [3]. We present the optical properties spectra of these materials using the X-ray Photoelectron Spectroscopy (XPS), Ellipsometry and first principles approach by DFT respectively [1,2]. In this work, position of reduction and oxidation level with respect to the vacuum level are identified for these materials. We can conclude that some of them are good candidates for the production of hydrogen by splitting of water in the presence of sunlight and for efficient solar energy conversion as well. [1] C. G. Almeida, R. B. Araujo, R. G. Yoshimura, A. J. S. Mascarenhas, A. Ferreira da Silva, C. M.Araujo, L. A. Silva,Int. J. Hyd. Energy 39, 1220 (2014). [2] M. Kumar, G.Baldissera, C.Persson, D.G.F.David ,M.V.S.da Silva , J.A.Freitas Jr., J.G. Tischler , J.F.D.Chubaci, M.Matsuoka , A.Ferreira da Silva, , J. of Crystal Growth 403, 124 (2014). [3] J. R. Gonzalez et all., Nanotechnology (2016 in press). (author)

  16. Momentum spectra for single and double electron ionization of He in relativistic collisions

    International Nuclear Information System (INIS)

    Anon.

    1997-01-01

    The complete momentum spectra for single and double ionization of He by 1-GeV/u (β=0.88) U 92+ have been investigated using a classical trajectory Monte Carlo method corrected for the relativistic projectile. The 1/r 12 electron-electron interaction has been included in the post-collision region for double ionization to incorporate the effects of both the nuclear-electron and electron-electron ionizing interactions, and to access the effects of electron correlation in the electron spectra. Experimental measurements were able to determine the longitudinal momentum spectra for single ionization; these observations are in accordance with the theoretical predictions for the three-body momentum balance between projectile, recoil ion, and ionized electron. In particular, the Lorentz contraction of the Coulomb interaction of the projectile manifests itself in the decrease of the post-collision interaction of the projectile with the electron and recoil ion, causing them to recoil back-to-back as in the case for a short electromagnetic pulse. This feature is clearly displayed in both the theoretical and experimental longitudinal momentum spectra, and by comparing to calculations that are performed at the same collision speed but do not include the relativistic potentials. Moreover, collision plane spectra of the three particles demonstrate that the momenta of the recoil ion and ionized electron are preferentially equal, and opposite, to each other. The electron spectra for double ionization show that the inclusion of the electron-electron interaction in the post-collision regime partitions the combined ionization momentum of the electrons so that the electrons are preferentially emitted in opposite azimuthal angles to one another. This is in contrast to calculations made assuming independent electrons. copyright 1997 The American Physical Society

  17. Momentum spectra for single and double electron ionization of He in relativistic collisions

    International Nuclear Information System (INIS)

    Wood, C.J.; Olson, R.E.

    1997-08-01

    The complete momentum spectra for single and double ionization of He by 1GeV/u (β=0.88) U 92+ have been investigated using a classical trajectory Monte Carlo method corrected for the relativistic projectile. The 1/r 12 electron-electron interaction has been included in the post-collision region for double ionization to incorporate the effects of both the nuclear-electron and electron-electron ionizing interactions, and to access the effects of electron correlation in the electron spectra. Experimental measurements were able to determine the longitudinal momentum spectra for single ionization; these observations are in accordance with the theoretical predictions for the three-body momentum balance between projectile, recoil ion, and ionized electron. In particular, the Lorentz contraction of the Coulomb interaction of the projectile manifests itself in the decrease of the post-collision interaction of the projectile with the electron and recoil ion, causing them to recoil back-to-back as in the case for a short electromagnetic pulse. This feature is clearly displayed in both the theoretical and experimental longitudinal momentum spectra, and by comparing to calculations that are performed at the same collision speed but do not include the relativistic potentials. Moreover, collision plane spectra of the three particles demonstrate that the momenta of the recoil ion and ionized electron are preferentially equal, and opposite, to each other. The electron spectra for double ionization show that the inclusion of the electron-electron interaction in the post-collision regime partitions the combined ionization momentum of the electrons so that the electrons are preferentially emitted in opposite azimuthal angles to one another. This is in contrast to calculations made assuming independent electrons. (orig.)

  18. Analytic and numerical calculations of quantum synchrotron spectra from relativistic electron distributions

    International Nuclear Information System (INIS)

    Brainerd, J.J.; Petrosian, V.

    1987-01-01

    Calculations are performed numerically and analytically of synchrotron spectra for thermal and power-law electron distributions using the single-particle synchrotron power spectrum derived from quantum electrodynamics. It is found that the photon energy at which quantum effects appear is proportional to temperature and independent of field strength for thermal spectra; quantum effects introduce an exponential roll-off away from the classical spectra. For power law spectra, the photon energy at which quantum effects appear is inversely proportional to the magnetic field strength; quantum effects produce a steeper power law than is found classically. The results are compared with spectra derived from the classical power spectrum with an energy cutoff ensuring conservation of energy. It is found that an energy cutoff is generally an inadequate approximation of quantum effects for low photon energies and for thermal spectra, but gives reasonable results for high-energy emission from power-law electron distributions. 17 references

  19. Investigation of internal conversion electron lines by track counting technique

    CERN Document Server

    Islamov, T A; Kambarova, N T; Muminov, T M; Lebedev, N A; Solnyshkin, A A; Aleshin, Yu D; Kolesnikov, V V; Silaev, V I; Niipf-Tashgu, T

    2001-01-01

    The methodology of counting the tracks of the internal conversion electron (ICE) in the nuclear photoemulsion is described. The results on counting the ICE tracks on the photoplates for sup 1 sup 6 sup 1 Ho, sup 1 sup 6 sup 3 Tm, sup 1 sup 6 sup 6 Tm, sup 1 sup 3 sup 5 Ce is described. The above results are obtained through the MBI-9 microscope and the MAS-1 automated facility. The ICE track counting on the photoplates provides for essentially higher sensitivity as compared to the photometry method. This makes it possible to carry out measurements with the sources by 1000 times weaker as by the study into the density of blackening

  20. Method of electroplating a conversion electron emitting source on implant

    Science.gov (United States)

    Srivastava, Suresh C [Setauket, NY; Gonzales, Gilbert R [New York, NY; Adzic, Radoslav [East Setauket, NY; Meinken, George E [Middle Island, NY

    2012-02-14

    Methods for preparing an implant coated with a conversion electron emitting source (CEES) are disclosed. The typical method includes cleaning the surface of the implant; placing the implant in an activating solution comprising hydrochloric acid to activate the surface; reducing the surface by H.sub.2 evolution in H.sub.2SO.sub.4 solution; and placing the implant in an electroplating solution that includes ions of the CEES, HCl, H.sub.2SO.sub.4, and resorcinol, gelatin, or a combination thereof. Alternatively, before tin plating, a seed layer is formed on the surface. The electroplated CEES coating can be further protected and stabilized by annealing in a heated oven, by passivation, or by being covered with a protective film. The invention also relates to a holding device for holding an implant, wherein the device selectively prevents electrodeposition on the portions of the implant contacting the device.

  1. Very low-energy conversion electron detection (VLECED) system at the isocele on-line isotope separator, Orsay

    International Nuclear Information System (INIS)

    Kilcher, P.; Sauvage, J.; Munsch, J.; Obert, J.; Caruette, A.; Ferro, A.; Boissier, G.; Fournet-Fayas, J.; Ducourtieux, M.; Landois, G.

    1988-01-01

    A system designed and installed at the on-line isotope separator ISOCELE II allows the high resolution detection of low-energy conversion electrons (down to 1 keV) emitted by mass separated radioactive sources: the use of a special tape transport permits both the slowing down of the incoming beam of radioactive ions up to a collection point and the acceleration of the electrons emitted by the collected sources brought to a flat magnetic spectrograph. Typical spectra so obtained are presented

  2. On the frequency and field linewidth conversion of ferromagnetic resonance spectra

    International Nuclear Information System (INIS)

    Wei, Yajun; Svedlindh, Peter; Liang Chin, Shin

    2015-01-01

    Both frequency swept and field swept ferromagnetic resonance measurements have been carried out for a number of different samples with negligible, moderate and significant extrinsic frequency independent linewidth contribution to analyze the correlation between the experimentally measured frequency and field linewidths. Contrary to the belief commonly held by many researchers, it is found that the frequency and field linewidth conversion relation does not hold for all cases. Instead it holds only for samples with negligible frequency independent linewidth contributions. For samples with non-negligible frequency independent linewidth contribution, the field linewidth values converted from the measured frequency linewidth are larger than the experimentally measured field linewidth. A close examination of the literature reveals that previously reported results support our findings, with successful conversions related to samples with negligible frequency independent linewidth contributions and unsuccessful conversions related to samples with significant frequency independent linewidth. The findings are important in providing guidance in ferromagnetic resonance linewidth conversions. (paper)

  3. Experimental techniques of conversion coefficient measurements

    International Nuclear Information System (INIS)

    Hamilton, J.H.

    1975-01-01

    Discusses briefly the history of conversion electron spectra measurements, and the interpretation of the collected data. Then provides a comprehensive review of techniques presently available to measure the conversion coefficients. (Auth.)

  4. Discovery of the Electronic Spectra of Hps and Dps

    Science.gov (United States)

    Grimminger, Robert A.; Wei, Jie; Ellis, Blaine; Clouthier, Dennis J.; Wang, Zhong; Sears, Trevor

    2009-06-01

    The hitherto unknown electronic spectrum of the closed shell transient molecule HPS has been observed in the 685 - 846 nm region by laser-induced fluorescence and single vibronic level emission techniques. HPS (and DPS) were produced in a pulsed electric discharge jet using a precursor mixture of 3% PH_3 and 1% H_2S (or PD_3 and D_2S) in high pressure argon. The weak set of observed bands are assigned to the à ^1A^''-X˜ ^1A^' electronic transition on the basis of chemical evidence, isotope shifts and the correspondence of the vibrational frequencies, excitation energy, and band contours with predictions based on our own high level ab initio calculations. Theory predicts that the HPS bond angle decreases on electronic excitation, contrary to expectations based on Walsh diagrams.

  5. Spectra of elementary excitations of fullerenes C60 and electron irradiation effect

    International Nuclear Information System (INIS)

    Gordeev, Yu.S.; Mikushkin, V.M.; Shnitov, V.V.

    2000-01-01

    The electron-stimulated changes in the spectra of the fullerenes C 60 elementary excitations are determined. They are manifested in decreasing the π-plasmon energy, the forbidden zone width, the HOMO-LUMO transition energy and also in smoothing the corresponding peculiarities of the spectra. The observed red shifts are connected with collectivization of the part of the π-electrons, formation of chemically-bound neighbouring molecules (polymerization) and with the corresponding increase in the part of the sp 3 -hybridized electrons. The spectra of the characteristic energy losses of the fullerene electrons, unperturbed by the polymerization process, are measured. The multipole structure of the (σ + π) plasmon and the exciton peculiarity, which manifests high sensitivity to the electron impact and may be used for the fullerene initial structure characterization, is identified [ru

  6. Energy spectra from coupled electron-photon slowing down

    International Nuclear Information System (INIS)

    Beck, H.L.

    1976-08-01

    A coupled electron-photon slowing down calculation for determining electron and photon track length in uniform homogeneous media is described. The method also provides fluxes for uniformly distributed isotropic sources. Source energies ranging from 10 keV to over 10 GeV are allowed and all major interactions are treated. The calculational technique and related cross sections are described in detail and sample calculations are discussed. A listing of the Fortran IV computer code used for the calculations is also included. 4 tables, 7 figures, 16 references

  7. High-Resolution Measurements of Low-Energy Conversion Electrons

    CERN Multimedia

    Gizon, A; Putaux, J

    2002-01-01

    Measurements of low-energy internal conversion electrons have been performed with high energy resolution in some N = 105 odd and odd-odd nuclei using a semi-circular spectrograph associated to a specific tape transport system. These experiments aimed to answer the following questions~: \\begin{itemize} \\item Do M3 isomeric transitions exist in $^{183}$Pt and $^{181}$Os, isotones of $^{184}$Au~? \\item Are the neutron configurations proposed to describe the isomeric and ground states of $^{184}$Au right or wrong~? \\item Does it exist an isomeric state in $^{182}$Ir, isotone of $^{181}$Os, $^{183}$Pt and $^{184}$Au~? \\item What are the spin and parity values of the excited states of $^{182}$Ir~? \\end{itemize} In $^{183}$Pt, the 35.0 keV M3 isomeric transition has been clearly observed and the reduced transition probability has been determined. The deduced hindrance factor is close to that observed in the neighbouring odd-odd $^{184}$Au nucleus. This confirms the neutron configurations previously proposed for the ...

  8. Electrochemical and conversion electron Moessbauer study of corrosion induced by acid rain

    International Nuclear Information System (INIS)

    Vertes, C.; Lakatos-Varsanyi, M.; Vertes, A.; Meisel, W.; Guetlich, P.

    1993-01-01

    The passivation of low carbon steel was studied in aqueous solution of 0.5M Na 2 SO 4 +0.001M NaHSO 3 (pH 3.5, 6.5 and 8.5) which can be considered as a model of acid rain. The used conversion electron Moessbauer spectroscopy (CEMS) with the complementary electrochemical investigations proved that the sulfite ions induce pitting corrosion at pH 3.5 and 6.5, while the measurements showed much weaker pitting at pH 8.5. The compositions and thicknesses of the passive films formed during the electrochemical treatments are determined from the CEM spectra. Only γ-FeOOH was found on the surface of the samples at pH 6.5 and 8.5. Nevertheless, at pH 3.5 the sextet belonging to Fe 3 C appears in the spectra, and also FeSO 4 .H 2 O could be detected in low concentration. (orig.)

  9. X-ray spectra from the Cornell Electron-Beam Ion Source (CEBIS I)

    International Nuclear Information System (INIS)

    Johnson, B.M.; Jones, K.W.; Kostroun, V.O.; Ghanbari, E.; Janson, S.W.

    1985-01-01

    Radiation emitted from the Cornell electron beam ion source (CEBIS I) has been surveyed with a Si(Li) x-ray detector. These spectra can be used to estimate backgrounds from electron bremsstrahlung and to evaluate the feasibility of atomic physics experiments using the CEBIS I source in this configuration. 1 ref., 2 figs

  10. Non-adiabatic effects in the electron and phonon spectra of a Peierls insulator

    International Nuclear Information System (INIS)

    Dzyub, I.P.; Zerov, Yu.E.

    1989-08-01

    The phonon and electron spectra of the discrete version of the Su, Schrieffer and Heeger model are calculated taking into account the polarization effects. It is shown that there exists a finite probability of electron states relaxation even at zero temperature. (author). 5 refs, 1 fig

  11. Spectra of electron pair under harmonic and Debye potential

    Energy Technology Data Exchange (ETDEWEB)

    Munjal, D. [Department of Physics and Astrophysics, University of Delhi (India); Department of Physics, Swami Shraddhanand College, University of Delhi (India); Prasad, V. [Department of Physics, Swami Shraddhanand College, University of Delhi (India)

    2017-02-15

    Two electron systems confined by harmonic potential is known as harmonium. Such a system has been studied for many reasons in the literature. In this work we study harmonium under Debye potential. We use higher order finite difference method for the solution of Schrodinger equation. Complete energy spectrum of harmonium and harmonium under Debye potential is studied. Debye screening length shows considerable effect on the energy levels and the radial matrix elements. The results are analysed in the light of existing results and the comparison with available results shows remarkable agreement. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  12. [Effects of white organic light-emitting devices using color conversion films on electroluminescence spectra].

    Science.gov (United States)

    Hou, Qing-Chuan; Wu, Xiao-Ming; Hua, Yu-Lin; Qi, Qing-Jin; Li, Lan; Yin, Shou-Gen

    2010-06-01

    The authors report a novel white organic light-emitting device (WOLED), which uses a strategy of exciting organic/ inorganic color conversion film with a blue organic light-emitting diode (OLED). The luminescent layer of the blue OLED was prepared by use of CBP host blended with a blue highly fluorescent dye N-BDAVBi. The organic/inorganic color conversion film was prepared by dispersing a mixture of red pigment VQ-D25 and YAG : Ce3+ phosphor in PMMA. The authors have achieved a novel WOLED with the high color stability by optimizing the thickness and fluorescent pigment concentration of the color conversion film. When the driving voltage varied between 6 and 14 V, the color coordinates (CIE) varied slightly from (0.354, 0.304) to (0.357, 0.312) and the maximum current efficiency is about 5.8 cd x A(-1) (4.35 mA x cm(-2)), the maximum brightness is 16 800 cd x m(-2) at the operating voltage of 14 V.

  13. Photoelectron spectra as a probe of double-core resonsance in two-electron atoms

    International Nuclear Information System (INIS)

    Grobe, R.; Haan, S.L.; Eberly, J.H.

    1996-01-01

    The authors calculate photoelectron spectra for a two-electron atom under the influence of two external driving fields, using an essential states formalism. They focus on the regime of so-called coherence transfer, in which electron-electron correlation transfers field-induced photo-coherence from one electron to the other. In the case studied here, two laser fields are resonant with coupled atomic transitions, in the manner familiar from three-level dark-state spectroscopy. Dynamical two electron effects are monitored via the photoelectron energy spectrum. The authors show that the distribution of the photoelectron energies can be singly, doubly or triply peaked depending on the relative laser intensities. The electron spectra are independent of the turn-on sequence of the fields

  14. Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

    International Nuclear Information System (INIS)

    Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M

    2016-01-01

    Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree with those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. Finally, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable. (paper)

  15. Nonlinear effects and conversion efficiency of free electron laser in compton regime

    International Nuclear Information System (INIS)

    Taguchi, Toshihiro; Mima, Kunioki; Mochizuki, Takayasu

    1980-01-01

    Nonlinear evolutions of free electron laser are analyzed by using quasi-linear theory. By the analysis, the energy conversion rates and the spectral width of the emitted radiations are calculated self-consistently. Moreover, it is found that the energy conversion rate is remarkably improved, when a RF field is applied to reaccelerate electron beam. (author)

  16. Conversion of Airborne Gamma ray Spectra to Ground Level Air Kerma Rates

    DEFF Research Database (Denmark)

    Bargholz, Kim; Korsbech, Uffe C C

    1997-01-01

    A new method for relating airborne gamma-ray spectra to dose rates and kerma rates at ground level is presented. Dependent on flying altitude 50 m to 125 m the method gives correct results for gamma energies above 250 keV respective 350 keV. At lower energies the method underestimate the dose...... or kerma rates; by having a large fraction of the ground level gamma-rays at energies below 350 keV special care should be taken at an interpretation of the results....

  17. Research of electronic absorption spectra of benzazols derivatives by ab initio calculations

    Science.gov (United States)

    Irgibaeva, I. S.; Birimzhanova, D. A.; Barashkov, N. N.

    Using the method of density functional theory in approximating B3LYP with the basis set 6-31G* the computations of structures and UV-vis spectra (TDDFT method) of benzazols derivatives were performed. The comparison of estimated electron spectra with the observed ones was made indicating good agreement of theoretically obtained results with experiment. Moreover these compounds have distinctive spectral-luminescent properties (large stokes shift) because of intramolecular proton transfer in excited state.

  18. Reestimation of the production spectra of cosmic ray secondary positrons and electrons in the ISM

    Science.gov (United States)

    Wong, C. M.; Ng, L. K.

    1985-01-01

    A detailed calculation of the production spectra of charged hadrons produced by interactions of cosmic rays in the interstellar medium is presented along with a thorough treatment of pion and muon decays. Newly parameterized inclusive cross sections of hadrons were used and exact kinematic limitations were taken into account. Single parametrized expressions for the production spectra of both secondary positrons and electrons in the energy range .1 to 100 GeV are presented. The results are compared with other authors' predictions. Equilibrium spectra using various models are also presented.

  19. The X-ray electronic spectra of TiC-NbC solid solution

    International Nuclear Information System (INIS)

    Cherkashenko, V.M.; Ezhov, A.V.; Nazarova, S.Z.; Kurmaev, Eh.Z.; Nojmann, M.

    2001-01-01

    X-ray photoelectronic spectra of inner levels and valency lands in TiC-NbC solid solutions were studied. Results of combining TiL α -, NbL β2.15 -, CK α - X-ray emission spectra and photoelectronic spectra of valency bands in one energy scale in reference to the Fermi level were analyzed. It is shown that a change in crystal lattice parameters, as well as charge redistribution between titanium and niobium atoms, produce a strong effect on electronic structure formation in the mixed carbides mentioned [ru

  20. Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes.

    Science.gov (United States)

    Evarestov, Robert A; Bandura, Andrei V; Porsev, Vitaly V; Kovalenko, Alexey V

    2017-11-15

    Hybrid density functional theory calculations are performed for the first time on the phonon dispersion and thermodynamic properties of WS 2 -based single-wall nanotubes. Symmetry analysis is presented for phonon modes in nanotubes using the standard (crystallographic) factorization for line groups. Symmetry and the number of infra-red and Raman active modes in achiral WS 2 nanotubes are given for armchair and zigzag chiralities. It is demonstrated that a number of infrared and Raman active modes is independent on the nanotube diameter. The zone-folding approach is applied to find out an impact of curvature on electron and phonon band structure of nanotubes rolled up from the monolayer. Phonon frequencies obtained both for layers and nanotubes are used to compute the thermal contributions to their thermodynamic functions. The temperature dependences of energy, entropy, and heat capacity of nanotubes are estimated with respect to those of the monolayer. The role of phonons in the stability estimation of nanotubes is discussed based on Helmholtz free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  1. Conversion between EIT and Fano spectra in a microring-Bragg grating coupled-resonator system

    Science.gov (United States)

    Zhang, Zecen; Ng, Geok Ing; Hu, Ting; Qiu, Haodong; Guo, Xin; Wang, Wanjun; Rouifed, Mohamed Saïd; Liu, Chongyang; Wang, Hong

    2017-08-01

    A conversion between the electromagnetically induced transparency (EIT) transmission and Fano transmission is theoretically and experimentally demonstrated in an all-pass microring-Bragg grating (APMR-BG) coupled-resonator system. In this work, the coupling between the two resonators (the microring resonator and the Fabry-Perot resonator formed by two Bragg gratings) gives rise to the EIT and Fano transmissions. The resonant status strongly depends on the round-trip attenuation of the microring and the coupling strength. By tuning the coupling strength, the EIT and Fano transmissions can be controlled and converted. The device performance has been theoretically calculated and analyzed with a specially developed numerical model based on the transfer matrix method. The APMR-BG coupled-resonator systems with different gap widths were designed, fabricated, and characterized on a silicon-on-insulator (SOI) platform. The conversion of resonance was experimentally observed and verified. In addition, this on-chip system has the advantage of a small footprint, and the fabrication process is compatible with the planar waveguide fabrication process.

  2. The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

    Science.gov (United States)

    Baryshnikov, G. V.; Minaeva, V. A.; Minaev, B. F.; Grigoras, M.

    2018-01-01

    We study the features of the electronic structure and the IR, UV, and visible spectra of a series of triphenylamines substituted with phenylethynyl groups. The analysis is performed at the level of the density functional theory (DFT) and its nonstationary version in comparison with the experimental data of IR and electron spectroscopy. It is shown that, in the excited state, there is a change in the alternation of single, double, and triple bonds in accordance with the character of bonding and antibonding in the lowest vacant molecular orbital. The gradual introduction of additional phenylethynyl groups does not cause frequency shifts in the IR spectra of the molecules under study, but significantly affects the intensity of the corresponding IR bands. A similar effect is also observed in the electronic-absorption spectra of these compounds. This can be used for optical tuning of triphenylamines as promising materials for organic light-emitting diodes and solar cells.

  3. Measurements of energy spectra of fast electrons from PF-1000 in the upstream and downstream directions

    Energy Technology Data Exchange (ETDEWEB)

    Kwiatkowski, R.; Czaus, K.; Skladnik-Sadowska, E.; Malinowski, K.; Zebrowski, J. [The Andrzej Soltan Institute for Nuclear Studies (IPJ), 05-400 Otwock-Swierk (Poland); Sadowski, M.J. [The Andrzej Soltan Institute for Nuclear Studies (IPJ), 05-400 Otwock-Swierk (Poland); Karpinski, L.; Paduch, M.; Scholz, M. [Institute of Plasma Physics and Laser Microfusion (IPPLM), 01-497 Warsaw (Poland); Kubes, P. [Czech Technical University (CVUT), 166-27 Prague, (Czech Republic)

    2011-07-01

    The paper describes measurements of energy spectra of electrons emitted in the upstream direction along the symmetry-axis of the PF-1000 facility, operated with the deuterium filling at 21 kV, 290 kJ. The measurements were performed with a magnetic analyzer. The same analyzer was used to measure also electron beams emitted in along the symmetry-axis in the downstream direction. The recorded spectra showed that the electron-beams emitted in the upstream direction have energies in the range from about 40 keV to about 800 keV, while those in the downstream direction have energies in the range from about 60 keV to about 200 keV. These spectra confirm that in the PF (Plasma Focus) plasma column there appear strong local fields accelerating charged particles in different directions. This document is composed of a paper and a poster. (authors)

  4. Determination of electron clinical spectra from percentage depth dose (PDD) curves by classical simulated annealing method

    International Nuclear Information System (INIS)

    Visbal, Jorge H. Wilches; Costa, Alessandro M.

    2016-01-01

    Percentage depth dose of electron beams represents an important item of data in radiation therapy treatment since it describes the dosimetric properties of these. Using an accurate transport theory, or the Monte Carlo method, has been shown obvious differences between the dose distribution of electron beams of a clinical accelerator in a water simulator object and the dose distribution of monoenergetic electrons of nominal energy of the clinical accelerator in water. In radiotherapy, the electron spectra should be considered to improve the accuracy of dose calculation since the shape of PDP curve depends of way how radiation particles deposit their energy in patient/phantom, that is, the spectrum. Exist three principal approaches to obtain electron energy spectra from central PDP: Monte Carlo Method, Direct Measurement and Inverse Reconstruction. In this work it will be presented the Simulated Annealing method as a practical, reliable and simple approach of inverse reconstruction as being an optimal alternative to other options. (author)

  5. Development of methodology for assessment of absorbed dose and stopping power for low energy conversion electrons

    International Nuclear Information System (INIS)

    Almeida, Ivan Pedro Salati de

    1995-08-01

    The evaluation of absorbed dose in the case of external and internal contamination due to radionuclides is sometimes hard, because of the difficulties in the assessment of the absorbed dose caused by electrons with energy less than 100 KeV in mucous membrane. In this work, a methodology for assessment of absorbed dose and stopping power in VYNS (co-polymer of polivinyl chloride - acetate) absorbers, for the 62.5 KeV and 84-88 KeV energy 109 Cd conversion electrons, working with a 4 π proportional pressurized detector, is presented. In order to assure the reproducibility of measurement conditions, one of the detector halves has been used to obtain a spectrum of a thin 109 Cd source, without absorber. The other half of the detector was used in concomitance to obtain spectra with different thicknesses if absorber. The absorbed energy was obtained subtracting each spectrum with absorber from the spectrum without absorber, which were stored in a microcomputer connected to signal processing systems by ACE type interface. The VYNS weight and thickness were evaluated using common radionuclide metrology procedures. As VYNS has characteristics similar to a tissue equivalent material, the results obtained are consistent with dosimetric concepts and have a good agreement with those of the literature. (author)

  6. Electron spectra resulting from autoionization in low-energy Li+ + He collisions

    International Nuclear Information System (INIS)

    Yagishita, A.; Wakiya, K.; Takayanagi, T.; Suzuki, H.; Koike, F.

    1979-09-01

    Spectra of electrons ejected from doubly excited states of helium have been extensively measured at several observation angles fro impact with lithium ions at energies lower than 5 KeV. ''Molecular-autoionization'' spectra have been found at forward observation angles, and analyzed in terms of the Gerber-Niehaus theory with modification. The spectral shapes of atomic-autoionization peaks have been discussed in relation to both the Barker-Berry effect and the Doppler effect. Excitation cross sections of autoionizing states have been determined by a new method that uses simultaneous impact of ions and electrons. (author)

  7. Geant4-DNA simulation of electron slowing-down spectra in liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Incerti, S., E-mail: sebastien.incerti@tdt.edu.vn [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Univ. Bordeaux, CENBG, UMR 5797, F-33170, Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Kyriakou, I. [Medical Physics Laboratory, University of Ioannina Medical School, 45110 Ioannina (Greece); Tran, H.N. [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam)

    2017-04-15

    This work presents the simulation of monoenergetic electron slowing-down spectra in liquid water by the Geant4-DNA extension of the Geant4 Monte Carlo toolkit (release 10.2p01). These spectra are simulated for several incident energies using the most recent Geant4-DNA physics models, and they are compared to literature data. The influence of Auger electron production is discussed. For the first time, a dedicated Geant4-DNA example allowing such simulations is described and is provided to Geant4 users, allowing further verification of Geant4-DNA track structure simulation capabilities.

  8. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

    Science.gov (United States)

    Tiwari, Vivek; Jonas, David M.

    2018-02-01

    Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a

  9. Enhanced Mode Conversion of Thermally Emitted Electron Bernstein Waves (EBW)to Extraordinary Mode

    International Nuclear Information System (INIS)

    Jones, B.; Efthimion, P.C.; Taylor, G.; Munsat, T.; Wilson, J.R.; Hosea, J.C.; Kaita, R.; Majeski, R.; Maingi, R.; Shiraiwa, S.; Spaleta, J.

    2002-01-01

    In the CDX-U spherical torus, approximately 100% conversion of thermal EBWs to X-mode has been observed by controlling the electron density scale length (Ln) in the conversion region with a local limiter outside the last closed flux surface. The radiation temperature profile agrees with Thomson scattering electron temperature data. Results are consistent with theoretical calculations of conversion efficiency using measured Ln. By reciprocity of the conversion process, prospects for efficient coupling in EBW heating and current drive scenarios are strongly supported

  10. Enhanced Mode Conversion of Thermally Emitted Electron Bernstein Waves (EBW)to Extraordinary Mode; TOPICAL

    International Nuclear Information System (INIS)

    B. Jones; P.C. Efthimion; G. Taylor; T. Munsat; J.R. Wilson; J.C. Hosea; R. Kaita; R. Majeski; R. Maingi; S. Shiraiwa; J. Spaleta

    2002-01-01

    In the CDX-U spherical torus, approximately 100% conversion of thermal EBWs to X-mode has been observed by controlling the electron density scale length (Ln) in the conversion region with a local limiter outside the last closed flux surface. The radiation temperature profile agrees with Thomson scattering electron temperature data. Results are consistent with theoretical calculations of conversion efficiency using measured Ln. By reciprocity of the conversion process, prospects for efficient coupling in EBW heating and current drive scenarios are strongly supported

  11. Electronic structure of some adenosine receptor antagonists. III. Quantitative investigation of the electronic absorption spectra of alkyl xanthines

    Science.gov (United States)

    Moustafa, H.; Shalaby, Samia H.; El-sawy, K. M.; Hilal, Rifaat

    2002-07-01

    Quantitative and comparative investigation of the electronic absorption spectra of theophylline, caffeine and their derivatives is reported. The spectra of theophylline, caffeine and theobromine were compared to establish the predominant tautomeric species in solution. This comparison, analysis of solvent effects and assignments of the observed transitions via MO computations indicate the exits of only one tautomeric species in solution that is the N7 form. A low-lying triplet state was identified which corresponds to a HOMO-LUMO transition. This relatively long-lived T 1 state is always less polar than the ground state and may very well underlie the photochemical reactivity of alkyl xanthines. Substituents of different electron donating or withdrawing strengths and solvent effects are investigated and analyzed. The present analysis is facilitated via computer deconvolution of the observed spectra and MO computation.

  12. Result on speech perception after conversion from Spectra® to Freedom®.

    Science.gov (United States)

    Magalhães, Ana Tereza de Matos; Goffi-Gomez, Maria Valéria Schmidt; Hoshino, Ana Cristina; Tsuji, Robinson Koji; Bento, Ricardo Ferreira; Brito, Rubens

    2012-04-01

    New technology in the Freedom® speech processor for cochlear implants was developed to improve how incoming acoustic sound is processed; this applies not only for new users, but also for previous generations of cochlear implants. To identify the contribution of this technology-- the Nucleus 22®--on speech perception tests in silence and in noise, and on audiometric thresholds. A cross-sectional cohort study was undertaken. Seventeen patients were selected. The last map based on the Spectra® was revised and optimized before starting the tests. Troubleshooting was used to identify malfunction. To identify the contribution of the Freedom® technology for the Nucleus22®, auditory thresholds and speech perception tests were performed in free field in sound-proof booths. Recorded monosyllables and sentences in silence and in noise (SNR = 0dB) were presented at 60 dBSPL. The nonparametric Wilcoxon test for paired data was used to compare groups. Freedom® applied for the Nucleus22® showed a statistically significant difference in all speech perception tests and audiometric thresholds. The Freedom® technology improved the performance of speech perception and audiometric thresholds of patients with Nucleus 22®.

  13. Electronic and vibrational circular dichroism spectra of (R)-(−)-apomorphine

    International Nuclear Information System (INIS)

    Abbate, Sergio; Longhi, Giovanna; Lebon, France; Tommasini, Matteo

    2012-01-01

    Highlights: ► ECD and VCD Spectra of (R)-(−)-apomorphine measured in various solvents. ► DFT calculations allow to study the protonation state and conformations. ► Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  14. Continuous registration of optical absorption spectra of periodically produced solvated electrons

    International Nuclear Information System (INIS)

    Krebs, P.

    1975-01-01

    Absorption spectra of unstable intermediates, such as solvated electrons, were usually taken point by point, recording the time-dependent light absorption after their production by a flash. The experimental arrangement for continuous recording of the spectra consists of a conventional one beam spectral photometer with a stabilized white light source, a monochromator, and a light detector. By periodic production of light absorbing intermediates such as solvated electrons, e.g., by ac uv light, a small ac signal is modulated on the light detector output which after amplification can be continuously recorded as a function of wavelength. This method allows the detection of absorption spectra when disturbances from the outside provide a signal-to-noise ratio smaller than 1

  15. Analysis of electron spin resonance spectra of irradiated gingers: Organic radical components derived from carbohydrates

    International Nuclear Information System (INIS)

    Yamaoki, Rumi; Kimura, Shojiro; Ohta, Masatoshi

    2010-01-01

    Electron spin resonance (ESR) spectral characterizations of gingers irradiated with electron beam were studied. Complex asymmetrical spectra (near g=2.005) with major spectral components (line width=2.4 mT) and minor signals (at 6 mT apart) were observed in irradiated gingers. The spectral intensity decreased considerably 30 days after irradiation, and continued to decrease steadily thereafter. The spectra simulated on the basis of characteristics of free radical components derived from carbohydrates in gingers are in good agreement with the observed spectra. Analysis showed that shortly after irradiation the major radical components of gingers were composed of radical species derived from amylose and cellulose, and the amylose radicals subsequently decreased considerably. At 30 days after irradiation, the major radical components of gingers were composed of radical species derived from cellulose, glucose, fructose or sucrose.

  16. Channeling effect in electronic spectra produced by grazing impact of fast protons on insulator surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C D; Gravielle, M S, E-mail: archubi@iafe.uba.a, E-mail: msilvia@iafe.uba.a [Instituto de Astronomia y Fisica del Espacio, Casilla de Correo 67, Sucursal 28, 1428, Buenos Aires (Argentina)

    2009-11-01

    Electron emission due to grazing scattering of fast protons from LiF and KCl surfaces is studied under axial incidence conditions. The differential emission probability is calculated within a distorted-wave formalism, taking into account axial channeled trajectories. For different emission angles, electronic spectra for proton incidence along the two principal crystal axes ([100] and [110]) are compared with those corresponding to an impact velocity in a random direction, finding effects associated with the channeling conditions.

  17. Electronic transient processes and optical spectra in quantum dots for quantum computing

    Czech Academy of Sciences Publication Activity Database

    Král, Karel; Zdeněk, Petr; Khás, Zdeněk

    2004-01-01

    Roč. 3, č. 1 (2004), s. 17-25 ISSN 1536-125X R&D Projects: GA AV ČR IAA1010113 Institutional research plan: CEZ:AV0Z1010914 Keywords : depopulation * electronic relaxation * optical spectra * quantum dots * self-assembled quantum dots * upconversion Subject RIV: BE - Theoretical Physics Impact factor: 3.176, year: 2004

  18. Two-dimensional spectra of electron collisions with acrylonitrile and methacrylonitrile reveal nuclear dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Regeta, K., E-mail: khrystyna.regeta@unifr.ch; Allan, M., E-mail: michael.allan@unifr.ch [Department of Chemistry, University of Fribourg, Chemin du Musée 9, CH-1700 Fribourg (Switzerland)

    2015-05-14

    Detailed experimental information on the motion of a nuclear packet on a complex (resonant) anion potential surface is obtained by measuring 2-dimensional (2D) electron energy loss spectra. The cross section is plotted as a function of incident electron energy, which determines which resonant anion state is populated, i.e., along which normal coordinate the wave packet is launched, and of the electron energy loss, which reveals into which final states each specific resonant state decays. The 2D spectra are presented for acrylonitrile and methacrylonitrile, at the incident energy range 0.095-1.0 eV, where the incoming electron is temporarily captured in the lowest π{sup ∗} orbital. The 2D spectra reveal selectivity patterns with respect to which vibrations are excited in the attachment and de-excited in the detachment. Further insight is gained by recording 1D spectra measured along horizontal, vertical, and diagonal cuts of the 2D spectrum. The methyl group in methacrylonitrile increases the resonance width 7 times. This converts the sharp resonances of acrylonitrile into boomerang structures but preserves the essence of the selectivity patterns. Selectivity of vibrational excitation by higher-lying shape resonances up to 8 eV is also reported.

  19. Energy spectra variations of high energy electrons in magnetic storms observed by ARASE and HIMAWARI

    Science.gov (United States)

    Takashima, T.; Higashio, N.; Mitani, T.; Nagatsuma, T.; Yoshizumi, M.

    2017-12-01

    The ARASE spacecraft was launched in December 20, 2016 to investigate mechanisms for acceleration and loss of relativistic electrons in the radiation belts during space storms. The six particle instruments with wide energy range (a few eV to 10MeV) are onboard the ARASE spacecraft. Especially, two particle instruments, HEP and XEP observe high energy electron with energy range from 70keV to over 10Mev. Those instruments observed several geomagnetic storms caused by coronal hole high speed streams or coronal mass ejections from March in 2017. The relativistic electrons in the outer radiation belt were disappeared/increased and their energy spectra were changed dynamically in some storms observed by XEP/HEP onboard the ARASE spacecraft. In the same time, SEDA-e with energy range 200keV-4.5MeV for electron on board the HIMAWARI-8, Japanese weather satellite on GEO, observed increase of relativistic electron in different local time. We will report on energy spectra variations of high energy electrons including calibrations of differential flux between XEP and HEP and discuss comparisons with energy spectra between ARAE and HIMAWARI that observed each storm in different local time.

  20. Water-soluble phosphine-protected Au9 clusters: Electronic structures and nuclearity conversion via phase transfer

    Science.gov (United States)

    Yao, Hiroshi; Tsubota, Shuhei

    2017-08-01

    In this article, isolation, exploration of electronic structures, and nuclearity conversion of water-soluble triphenylphosphine monosulfonate (TPPS)-protected nonagold (Au9) clusters are outlined. The Au9 clusters are obtained by the reduction of solutions containing TPPS and HAuCl4 and subsequent electrophoretic fractionation. Mass spectrometry and elemental analysis reveal the formation of [Au9(TPPS)8]5- nonagold cluster. UV-vis absorption and magnetic circular dichroism (MCD) spectra of aqueous [Au9(TPPS)8]5- are quite similar to those of [Au9(PPh3)8]3+ in organic solvent, so the solution-phase structures are likely similar for both systems. Simultaneous deconvolution analysis of absorption and MCD spectra demonstrates the presence of some weak electronic transitions that are essentially unresolved in the UV-vis absorption. Quantum chemical calculations for a model compound [Au9(pH3)8]3+ show that the possible (solution-phase) skeletal structure of the nonagold cluster has D2h core symmetry rather than C4-symmetrical centered crown conformation, which is known as the crystal form of the Au9 compound. Moreover, we find a new nuclearity conversion route from Au9 to Au8; that is, phase transfer of aqueous [Au9(TPPS)8]5- into chloroform using tetraoctylammonium bromide yields [Au8(TPPS)8]6- clusters in the absence of excess phosphine.

  1. Electronic structure and UV spectra of N-arylthio-1,4-benzoquinone imines

    International Nuclear Information System (INIS)

    Pirozhenko, V.V.; Boldeskul, I.E.; Kolesnikov, V.T.; Vid, L.V.; Kuz'menko, L.O.

    1986-01-01

    The electronic structure of N-arylthio-1,4-benzoquinone imines (II) was studied by quantum-chemical methods (CNDO/2). It was shown that the special characteristics of the reactivity of the compounds in reaction with chlorine compared with sulfenylketimines R 2 C=N-S-Ar not containing a quinonoid ring may be due to the different nature of the lowest unoccupied molecular orbitals (LUMO). The UV spectra of compounds (II) were investigated. In the visible region the spectra of all the compounds contain strong absorption (R 1 = R 2 = R 3 = R 4 = R 5 = H, λ/sub m/ = 433 nm, epsilon/sub m/ = 2.12 x 10 4 liters/mole x cm), due to intramolecular charge transfer from the sulfur atom to the quinonoid fragment of the molecule. It was established that there is a linear relation between the energy of the transition and the σ + constants of the substituents in the aryl fragment. The assignment of the transitions was confirmed by calculations of the UV spectra of N-arylthio-1,4-benzoquinone imines by the PPP method. Comparison of the UV spectra of these compounds with the UV spectra of N-arylsulfonyl-1,4-benzoquinone imines makes it possible to conclude that the sulfur atom of the SO 2 group, unlike the divalent sulfur atom, is not capable of transmitting the electronic effects of the substituents from one part of the molecule to the other

  2. Helium induced fine structure in the electronic spectra of anthracene derivatives doped into superfluid helium nanodroplets

    International Nuclear Information System (INIS)

    Pentlehner, D.; Slenczka, A.

    2015-01-01

    Electronic spectra of organic molecules doped into superfluid helium nanodroplets show characteristic features induced by the helium environment. Besides a solvent induced shift of the electronic transition frequency, in many cases, a spectral fine structure can be resolved for electronic and vibronic transitions which goes beyond the expected feature of a zero phonon line accompanied by a phonon wing as known from matrix isolation spectroscopy. The spectral shape of the zero phonon line and the helium induced phonon wing depends strongly on the dopant species. Phonon wings, for example, are reported ranging from single or multiple sharp transitions to broad (Δν > 100 cm −1 ) diffuse signals. Despite the large number of example spectra in the literature, a quantitative understanding of the helium induced fine structure of the zero phonon line and the phonon wing is missing. Our approach is a systematic investigation of related molecular compounds, which may help to shed light on this key feature of microsolvation in superfluid helium droplets. This paper is part of a comparative study of the helium induced fine structure observed in electronic spectra of anthracene derivatives with particular emphasis on a spectrally sharp multiplet splitting at the electronic origin. In addition to previously discussed species, 9-cyanoanthracene and 9-chloroanthracene will be presented in this study for the first time

  3. Electron and phonon spectra in La2-xSrxCuI4+δ

    International Nuclear Information System (INIS)

    Nomerovannaya, L.V.; Makhnev, A.A.; Malyuk, A.N.; Bolotin, G.A.; Shtrapenin, G.L.; Ignatenkov, A.N.

    1995-01-01

    Ellipsometric measurements of optical constants and measurements of reflection spectra of La 2-x Sr x CuI 4+δ monocrystals were carried out. Variation of peculiarities of electron and phonon spectra at strontium doping was followed. Formulae to calculate ε dielectric permittivity tensor component on the ground of ellipsometric measurements for tetragonal and orthorhombic crystals are given. Effect of superstoichiometric oxygen content on anisotropy of La 2 CuO 4+δ optical properties was studied. 18 refs., 5 figs., 1 tab

  4. Saturation mechanism and improvement of conversion efficiency of free electron laser

    International Nuclear Information System (INIS)

    Taguchi, T.; Mima, K.; Mochizuki, T.

    1980-01-01

    Saturation mechanisms of free electron laser are investigated in the Compton regime. It is found that the saturation occurs due to quasi-linear energy spreading of electron beam in the case of many mode excitation. The energy conversion efficiency remains low even if many modes are taken into account. For improvement of the conversion efficiency, effects of reacceleration by a traveling wave are investigated and turn out to increase the efficiency up to more than 50%. (author)

  5. The future of electronic power processing and conversion

    DEFF Research Database (Denmark)

    Blaabjerg, Frede; Consoli, A.; Ferreira, J.A.

    2005-01-01

    . - A large penetration of power electronics into power systems will happen within the next 25-30 years. The main transmission grid will not be affected. The power electronics development will be in distributed generation and in the loads. - The success of the integrated starter/generator, hybrid or electric...... cars depends on political decisions more than on technological advances. However, the success of a recent Japanese hybrid car and the cost of oil could trigger the critical momentum for large-scale use of power electronics in automotive applications. - We are moving toward standardized power supply...

  6. Organic electronics on fibers for energy conversion applications

    Science.gov (United States)

    O'Connor, Brendan T.

    Currently, there is great demand for pollution-free and renewable sources of electricity. Solar cells are particularly attractive from the standpoint of sunlight abundance. However, truly widespread adoption of solar cells is impeded by the high cost and poor scalability of existing technologies. For example, while 53,000 mi2 of 10% efficient solar cell modules would be required to supply the current U.S. energy demand, only about 50 mi2 have been installed worldwide. Organic semiconductors potentially offer a route to realizing low-cost solar cell modules, but currently suffer from low conversion efficiency. For organic-based solar cells to become commercially viable, further research is required to improve device performance, develop scalable manufacturing methods, and reduce installation costs via, for example, novel device form factors. This thesis makes several contributions to the field of organic solar cells, including the replacement of costly and brittle indium tin oxide (ITO) electrodes by inexpensive and malleable, thin metal films, and the application of external dielectric coatings to improve power conversion efficiency. Furthermore, we show that devices with non-planar geometries (e.g. organic solar cells deposited onto long fibers) can have higher efficiencies than conventional planar devices. Building on these results, we demonstrate novel fiber-based organic light emitting devices (OLEDs) that offer substantially improved color quality and manufacturability as a next-generation solid-state lighting technology. An intriguing possibility afforded by the fiber-based device architectures is the ability to integrate energy conversion and lighting functionalities with textiles, a mature, commodity-scale technology.

  7. Electron shell contributions to gamma-ray spectra of positron annihilation in noble gases

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Feng; Selvam, Lalitha [Centre for Molecular Simulation, Swinburne University of Technology, PO Box 218, Hawthorn, Victoria 3122 (Australia); Gribakin, Gleb F [Department of Applied Mathematics and Theoretical Physics, Queen' s University Belfast BT7 1NN (United Kingdom); Surko, Clifford M, E-mail: fwang@swin.edu.a [Physics Department, University of California, San Diego, La Jolla, CA 92093-0319 (United States)

    2010-08-28

    Gamma-ray positron annihilation spectra of the noble gases are simulated using computational chemistry tools for the bound electron wavefunctions and plane-wave approximation for the low-energy positron. The present annihilation line shapes, i.e. the full width at half maximum, {Delta}{epsilon}, of the {gamma}-ray annihilation spectra for He and Ar (valence) agree well with available independent atomic calculations using a different algorithm. For other noble gases they achieve moderate agreement with the experimental measurements. It is found that the contributions of various atomic electron shells to the spectra depend significantly on their principal quantum number n and orbital angular momentum quantum number l. The present study further reveals that the outermost ns electrons of the noble gases exhibit spectral line shapes in close agreement with those measured, indicating (as expected) that the measurements are not due to a simple sum over the momentum densities for all atomic electrons. The robust nature of the present approach makes it possible for us to proceed to more complex molecular systems using the tools of modern computational chemistry.

  8. Local secondary-electron emission spectra of graphite and gold surfaces obtained using the Scanning Probe Energy Loss Spectrometer (SPELS)

    International Nuclear Information System (INIS)

    Lawton, J J; Pulisciano, A; Palmer, R E

    2009-01-01

    Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

  9. Local secondary-electron emission spectra of graphite and gold surfaces obtained using the Scanning Probe Energy Loss Spectrometer (SPELS)

    Energy Technology Data Exchange (ETDEWEB)

    Lawton, J J; Pulisciano, A; Palmer, R E, E-mail: R.E.Palmer@bham.ac.u [Nanoscale Physics Research Laboratory, School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT (United Kingdom)

    2009-11-25

    Secondary-electron emission (SEE) spectra have been obtained with the Scanning Probe Energy Loss Spectrometer at a tip-sample distance of only 50 nm. Such short working distances are required for the best theoretical spatial resolution (<10 nm). The SEE spectra of graphite, obtained as a function of tip bias voltage, are shown to correspond to unoccupied states in the electronic band structure. The SEE spectra of thin gold films demonstrate the capability of identifying (carbonaceous) surface contamination with this technique.

  10. Absorption and backscatter of internal conversion electrons in the measurements of surface contamination of 137Cs

    International Nuclear Information System (INIS)

    Yunoki, A.; Kawada, Y.; Yamada, T.; Unno, Y.; Sato, Y.; Hino, Y.

    2013-01-01

    We measured 4π and 2π counting efficiencies for internal conversion electrons (ICEs), gross β-particles and also β-rays alone with various source conditions regarding absorber and backing foil thickness using e-X coincidence technique. Dominant differences regarding the penetration, attenuation and backscattering properties among ICEs and β-rays were revealed. Although the abundance of internal conversion electrons of 137 Cs- 137 Ba is only 9.35%, 60% of gross counts may be attributed to ICEs in worse source conditions. This information will be useful for radionuclide metrology and for surface contamination monitoring. - Highlights: • Counting efficiencies for internal conversion electrons from 137 Cs were measured, and compared with those for β-rays. • Electron-X coincidence technique was employed. • A thin NaI(Tl) scintillation detector was used for X-ray detection. • Backscattering fractions of electrons and beta particles were studied by similar experiments

  11. Deconvolution of overlapping features in electron energy-loss spectra: the determination of absolute differential cross sections for electron-impact excitation of electronic states of molecules

    International Nuclear Information System (INIS)

    Campbell, L.; Brunger, M.J.; Teubner, O.J.P.; Mojarrabi, B.

    1996-06-01

    A set of three computer programs is reported which allow for the deconvolution of overlapping molecular electronic state structure in electron energy-loss spectra, even in highly perturbed systems. This procedure enables extraction of absolute differential cross sections for electron-impact excitation of electronic states of diatomic molecules from electron energy-loss spectra. The first code in the sequence uses the Rydberg-Klein-Rees procedure to generate potential energy curves from spectroscopic constants, while the second calculates Franck-Condon factors by numerical solution of the Schroedinger equation, given the potential energy curves. The third, given these Franck-Condon factors, the previously calculated relevant energies for the vibrational levels of the respective electronic states and the experimental energy-loss spectra, extracts the differential cross sections for each state. Each program can be run independently, or the three can run in sequence to determine these cross sections from the spectroscopic constants and the experimental energy-loss spectra. The application of these programs to the specific case of electron scattering from nitric oxide (NO) is demonstrated. 25 refs., 2 tabs., 2 figs

  12. Transmission spectra of electrons through the Thue-Morse graphene superlattice

    International Nuclear Information System (INIS)

    Korol', A.M.

    2014-01-01

    The transmission spectra of the Thue-Morse superlattice (SL) based on a monolayer gapped graphene are investigated. The SL consists of rectangular barriers located along the Ox axis. The Thue-Morse aperiodic modulation is proposed to be realized due to the difference in values of the gap width in different SL elements. It is shown that the effective splitting of the allowed bands (and thereby the arising of a series of gaps) is observed under the influence of the aperiodic factor in the case of normal incidence of the electron wave on the SL as well as in the case of oblique incidence. The spectra are periodical with potential barrier height. In some regions of the spectra, the splitting of bands is subjected to the Fibonacci inflation rule in every new Thue-Morse generation. As in the periodical graphene-based SL, in every Thue-Morse sequence a superlattice Dirac point is created. The width of the gap associated with this point depends on SL parameters substantially; at the same time the energy location of this gap depends weakly on mass term in the Hamiltonian and it does not depend on SL period. The spectra dependence on the angle of electron wave incidence is not substantial

  13. Sensitivity Analysis of X-ray Spectra from Scanning Electron Microscopes

    Energy Technology Data Exchange (ETDEWEB)

    Miller, Thomas Martin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Patton, Bruce W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Weber, Charles F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bekar, Kursat B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2014-10-01

    The primary goal of this project is to evaluate x-ray spectra generated within a scanning electron microscope (SEM) to determine elemental composition of small samples. This will be accomplished by performing Monte Carlo simulations of the electron and photon interactions in the sample and in the x-ray detector. The elemental inventories will be determined by an inverse process that progressively reduces the difference between the measured and simulated x-ray spectra by iteratively adjusting composition and geometric variables in the computational model. The intended benefit of this work will be to develop a method to perform quantitative analysis on substandard samples (heterogeneous phases, rough surfaces, small sizes, etc.) without involving standard elemental samples or empirical matrix corrections (i.e., true standardless quantitative analysis).

  14. A multichannel magnetic β-ray spectrometer for rapid measurements of electron spectra

    International Nuclear Information System (INIS)

    Kariya, Komyo; Morikawa, Kaoru.

    1989-01-01

    In order to make the magnetic β-ray spectrometer suitable for rapid measurements of electron spectra with short-lived nuclides, twelve small GM counters have been arrayed along the focal plane of a 180deg focusing flat type design. All the signal pulses from each one of these detectors are mixed together onto a single cable. By means of multichannel PHA, each pulse can be traced back to the specific detector which sent it out. In order to avoid time consuming evacuation procedures, the sample source is placed outside a thin window of the preevacuated analyzer chamber. By the use of this multichannel spectrometer a β-ray spectrum with maximum energy up to about 10 MeV can be measured within 1 min or so. Electron spectra measured with 113m In, 119m In and 144 Pr source are shown. (author)

  15. spectra of heliumlike chromium from an electron-beam ion trap

    International Nuclear Information System (INIS)

    Decaux, V.; Beiersdorfer, P.; Elliott, S.; Osterheld, A.

    1993-01-01

    spectra of heliumlike chromium have been recorded using the Livermore electron-beam ion trap (EBIT) with a high-resolution Bragg crystal spectrometer in the von Hamos configuration, in the wavelong range from 1.870 Angstrom. Measurements have been made both for direct excitation at an electron beam energy of 8 k and dielectronic recombination around the KLM resonance energy of 5 keV. In order to evaluate the resonance strength the lithiumlike dielectronic satellites, we used a data routine technique to accumulate spectra at 15 different beam energies between 4.96 and 5.28 keV. Results are compared to theoretical calculations using the multiconfiguration parametric potential method

  16. Direct conversion of graphite into diamond through electronic excited states

    CERN Document Server

    Nakayama, H

    2003-01-01

    An ab initio total energy calculation has been performed for electronic excited states in diamond and rhombohedral graphite by the full-potential linearized augmented plane wave method within the framework of the local density approximation (LDA). First, calculations for the core-excited state in diamond have been performed to show that the ab initio calculations based on the LDA describe the wavefunctions in the electronic excited states as well as in the ground state quite well. Fairly good coincidence with both experimental data and theoretical prediction has been obtained for the lattice relaxation of the core exciton state. The results of the core exciton state are compared with nitrogen-doped diamond. Next, the structural stability of rhombohedral graphite has been investigated to examine the possibility of the transition into the diamond structure through electronic excited states. While maintaining the rhombohedral symmetry, rhombohedral graphite can be spontaneously transformed to cubic diamond. Tota...

  17. Independent component analysis: A new possibility for analysing series of electron energy loss spectra

    International Nuclear Information System (INIS)

    Bonnet, Nogl; Nuzillard, Danielle

    2005-01-01

    A complementary approach is proposed for analysing series of electron energy-loss spectra that can be recorded with the spectrum-line technique, across an interface for instance. This approach, called blind source separation (BSS) or independent component analysis (ICA), complements two existing methods: the spatial difference approach and multivariate statistical analysis. The principle of the technique is presented and illustrations are given through one simulated example and one real example

  18. Electron and nuclear spin interactions in the optical spectra of single GaAs quantum dots.

    Science.gov (United States)

    Gammon, D; Efros, A L; Kennedy, T A; Rosen, M; Katzer, D S; Park, D; Brown, S W; Korenev, V L; Merkulov, I A

    2001-05-28

    Fine and hyperfine splittings arising from electron, hole, and nuclear spin interactions in the magneto-optical spectra of individual localized excitons are studied. We explain the magnetic field dependence of the energy splitting through competition between Zeeman, exchange, and hyperfine interactions. An unexpectedly small hyperfine contribution to the splitting close to zero applied field is described well by the interplay between fluctuations of the hyperfine field experienced by the nuclear spin and nuclear dipole/dipole interactions.

  19. Diffraction structures in delta electron spectra emitted in heavy-ion atom collisions

    International Nuclear Information System (INIS)

    Liao, C.; Bhalla, C.; Shingal, R.; Schmidt-Boecking, H.; Shinpaugh, J.; Wolf, W.; Wolf, H.

    1992-01-01

    We have measured doubly differential cross sections DDCS for projectiles between F and Au and find evidence for strong diffraction structure in the Binary Encounter region of the emitted electron spectra for Au(Z=79), I(Z=53) and Cu(Z=29) projectiles, however not for F projectiles in the collision energy range between 0.2 and 0.5 MeV/u. (orig.)

  20. Radiation spectra of high-energy electrons in monocrystals of various thickness and orientation

    International Nuclear Information System (INIS)

    Avakyan, R.O.; Agan'yants, A.O.; Akopov, N.Z.; Vartanov, Yu.A.; Vartapetyan, G.A.; Lebedev, A.N.; Mirzoyan, R.M.; Taroyan, S.P.; Danagulyan, S.S.

    1982-01-01

    Yield of photons with energies 20-200 MeV at motion of the 4.7 GeV electron beam in parallel to the axis of a diamond crystal exceeds substantially the corresponding yield from a disoriented target. A similarity is observed in the radiation spectra within the crystal thickness range of 100- 610 mkm. The radiation yield is suppressed at certain energies of the γ quanta [ru

  1. Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

    CERN Document Server

    Jones, R; Gutiérrez-Sosa, A; Bangert, U; Heggie, M I; Blumenau, A T; Frauenheim, T; Briddon, P R

    2002-01-01

    First-principles calculations of electron energy loss (EEL) spectra for bulk GaN and diamond are compared with experimental spectra acquired with a scanning tunnelling electron microscope offering ultra-high-energy resolution in low-loss energy spectroscopy. The theoretical bulk low-loss EEL spectra, in the E sub g to 10 eV range, are in good agreement with experimental data. Spatially resolved spectra from dislocated regions in both materials are distinct from bulk spectra. The main effects are, however, confined to energy losses lying above the band edge. The calculated spectra for low-energy dislocations in diamond are consistent with the experimental observations, but difficulties remain in understanding the spectra of threading dislocations in GaN.

  2. An analytic approach to 2D electronic PE spectra of molecular systems

    International Nuclear Information System (INIS)

    Szoecs, V.

    2011-01-01

    Graphical abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems using direct calculation from electronic Hamiltonians allows peak classification from 3P-PE spectra dynamics. Display Omitted Highlights: → RWA approach to electronic photon echo. → A straightforward calculation of 2D electronic spectrograms in finite molecular systems. → Importance of population time dynamics in relation to inter-site coherent coupling. - Abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems and simplified line broadening models is presented. The Fourier picture of a heterodyne detected three-pulse rephasing PE signal in the δ-pulse limit of the external field is derived in analytic form. The method includes contributions of one and two-excitonic states and allows direct calculation of Fourier PE spectrogram from corresponding Hamiltonian. As an illustration, the proposed treatment is applied to simple systems, e.g. 2-site two-level system (TLS) and n-site TLS model of photosynthetic unit. The importance of relation between Fourier picture of 3P-PE dynamics (corresponding to nonzero population time, T) and coherent inter-state coupling is emphasized.

  3. The Future of Electronic Power Processing and Conversion: Highlights from FEPPCON IX

    DEFF Research Database (Denmark)

    Enslin, Johan H.; Blaabjerg, Frede; Tan, Don F.D.

    2017-01-01

    Since 1991, every second year the IEEE Power Electronics Society (PELS) has organized the technical long-range planning meeting "Future of Electronic Power Processing and Conversion" (FEPPCON). FEPPCON IX was held 12-16 June 2017 in beautiful Kruger Park in South Africa (Figure 1). The overall go...

  4. Physical aspects of electron emission spectra shape for ferroelectrics-electrets

    International Nuclear Information System (INIS)

    Kolesnikov, V.V.; Kozakov, A.T.

    2002-01-01

    One introduces a theoretical approach establishing a link between the peculiarities of spectrum of electron emission from ferroelectrics-electrets and the behavior of potential at a specimen surface. From these points of view one analyzes physical nature of the key peculiarities in the experimental spectra. One points out strong effect of electret charge relaxation on their shape due to bifurcation (branching) of peculiarities in a spectrum. A complex shape of spectrum of electron emission from ferroelectrics-electrets results from peculiarities of distribution of electrical field and polarization along their surface [ru

  5. Photoelectron spectra and electronic structure of β-diketonates of p- and d-elements

    International Nuclear Information System (INIS)

    Vovna, V.I.; Andreev, V.A.; Cherednichenko, A.I.

    1990-01-01

    Consideration is given to results of studying electronic structure of β-diketonates of metals and β-diketones by the method of gas-phase photoelectron spectroscopy. Manifestation of covalence of metal-ligand bonds in PE spectra and change of covalence in series and groups of d-elements of the periodic table are analysed. It is shown that ionization energy of outer valence electrons doesn't reflect in all cases effective charges of ligands, due to the influence of molecular potential. 35 refs.; 7 figs.; 12 tabs

  6. Photoelectron spectra and electronic structure of nitrogen analogues of boron β-diketonates with aromatic substituents

    Energy Technology Data Exchange (ETDEWEB)

    Tikhonov, Sergey A., E-mail: allser@bk.ru [Far Eastern Federal University, 8 Sukhanova St., Vladivostok, 690950 (Russian Federation); Vovna, Vitaliy I. [Far Eastern Federal University, 8 Sukhanova St., Vladivostok, 690950 (Russian Federation); Borisenko, Aleksandr V. [Vladivostok Branch of Russian Customs Academy, 16v Strelkovaya St., Vladivostok, 690034 (Russian Federation)

    2016-11-15

    Highlights: • The electronic structures of three nitrogen analogues of boron β-diketonates have been investigated. • UV photoelectron spectra have been interpreted. • The structure of the UV photoelectron spectra is in good agreement with the energies and compositions of Kohn-Sham orbitals. - Abstract: The electronic structure of three nitrogen analogoues of boron β-diketonates containing aromatic substituents was studied by the ultraviolet photoelectron spectroscopy and within the density functional theory. In order to determine effects of heteroatom substitution in the chelate ligand, a comparative analysis was carried out for the electronic structure of three model compounds. In a range of model compounds, the HOMO's nature was revealed to be the same. The HOMO-1 orbital of nitrogen containing compounds is determined by the presence of lone electron pairs of nitrogen. In a range of the complexes under study, the influence of aromatic substituents on the electronic structure was defined. In the imidoylamidinate complex, in contrast to formazanates and β-diketonates, it was found the absence of any noticeable mixing of π-orbitals of the chelate and benzene rings. It was shown that within energy range to 11 eV, the calculated results reproduce well the energy differences between the ionized states of complexes.

  7. Studies on solvatochromic behavior of some monoazo derivatives using electronic absorption spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sidir, Isa; Tasal, Erol; Guelseven, Yadigar [Department of Physics, Faculty of Arts and Sciences, Eskisehir Osmangazi University, 26480 Eskisehir (Turkey); Guengoer, Tayyar [Department of Physics, Faculty of Arts and Sciences, Akdeniz University, Antalya (Turkey); Berber, Halil [Department of Chemistry, Faculty of Sciences, Anadolu University, Eskisehir (Turkey); Oegretir, Cemil [Department of Chemistry, Faculty of Arts and Sciences, Eskisehir Osmangazi University, Eskisehir (Turkey)

    2009-06-15

    The electronic absorption spectra of 2',4'-dihydroxy-2-methoxyazobenzene and 4,2',4'-trihydroxyazobenzene molecules have been investigated in solvents with different polarities. The solvent dependent UV-vis spectral shifts, {nu}{sub max}, were analysed using some physical parameters such as refractive index, dielectric constant, Kamlet-Taft parameters, {alpha} (hydrogen bond donating ability) and {beta} (hydrogen bond accepting ability). The electronic transitions are assigned and the solvent induced spectral shifts have been analysed in relation to different solute-solvent interaction mechanisms using linear regression analysis. The results of fitting coefficients obtained from the analysis helped us to estimate the contribution of each type of interaction to the spectral shift in the molecule under consideration. It is concluded that the electronic character of the chemical nature of the solvent and the electronic character of substituents are the important factor for the observed solvatochromism. (author)

  8. Coordinated observations of electron energy spectra and electrostatic cyclotron waves during diffuse auroras

    International Nuclear Information System (INIS)

    Fontaine, D.; Perraut, S.; Cornilleau-Wehrlin, N.; Aparicio, B.; Bosqued, J.M.; Rodgers, D.

    1986-01-01

    An auroral precipitation event lasting several hours in the dusk sector on June 2, 1982 is studied in conjunction with three instruments: the EISCAT European Incoherent Scatter radar based in Scandinavia, the GEOS-2 European geostationary spacecraft, and the ARCAD-3 French-Soviet polar spacecraft. Electron energy spectra between about 1 and 10 keV, computed from EISCAT measurements, were in agreement, during a diffuse aurora period, with direct observations onboard ARCAD-3, and also with the plasma sheet component (3-10 keV) measured onboard GEOS-2 and available at large pitch-angles. This last comparison suggested the quasi-isotropy of equatorial electron fluxes. The electrostatic electron cyclotron harmonic waves, also observed onboard GEOS-2, were not found to be intense enough to cause by themselves the strong pitch-angle diffusion of electrons of a few keV

  9. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  10. Analysis of electron cyclotron emission spectra of high electron temperature, supershot plasmas in TFTR

    International Nuclear Information System (INIS)

    Taylor, G.; Arunasalam, V.; Efthimion, P.C.; Grek, B.

    1993-01-01

    A primary objective of the TFTR program since 1986 has been the study and optimization of deuterium Supershot plasmas. These plasmas are predominantly heated by 90-110 keV neutral deuterium beams (P NBI /P OH >30), central ion temperatures are ∝30 keV and central electron temperatures from ECE (T ECE ) often exceed 10 keV. Central electron temperature data measured with a TV Thomson scattering (TVTS) system (T TVTS ) during the period 1987-1990 have been compared with data from three different ECE instruments on TFTR. Although T ECE ∝T TVTS for temperatures below 6 keV, there is a systematically increasing disagreement at higher electron temperatures, with T ECE ∝1.2 T TVTS for T TVTS in the range 9-10 keV. Recent theoretical work on the ECE radiation temperature of non-equilibrium plasmas indicates that for a bi-Maxwellian electron velocity distribution with a ratio of tail to bulk electron density η, a bulk temperature T b , and a hot tail temperature T h , the perpendicular ECE radiation temperature is given by T ECE ∝T b {1+η(T h /T b )}, for η ECE would be enhanced over T TVTS by a factor which depends on η and T h . This paper investigates whether the discrepancy between T TVTS and T ECE seen in TFTR Supershots at high electron temperatures is due to the presence of a hot electron tail component. The extraordinary mode ECE spectrum at the second, third and fourth harmonics is measured on the horizontal midplane by an absolutely calibrated ECE Michelson interferometer. This ECE spectrum is compared with the output from a time-independent transport code with relativistic opacity which solves the three-dimensional ECE radiation transport in a toroidally symmetric, two-dimensional geometry and uses measured electron density and temperature profiles from the TVTS system. (orig.)

  11. Electronic spectra and DFT calculations of some pyrimido[1,2-a]benzimidazole derivatives

    Science.gov (United States)

    Elshakre, Mohamed E.; Moustafa, H.; Hassaneen, Huwaida. M. E.; Moussa, Abdelrahim. Z.

    2015-06-01

    Ground state properties of 2,4-diphenyl-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine, compound 1, and its derivatives are investigated experimentally and theoretically in Dioxane and DMF. The calculations show that all the studied compounds (1-7) are non-planar, resulting in a significant impact on the electronic and structural properties. The ground state properties of compounds 1-7 at B3LYP/6-311G (d, p) show that compound 5 has the lowest EHOMO, ELUMO, and ΔE indicating highest reactivity. Compound 7 is found to have the highest polarity. The observed UV spectra in Dioxane and DMF of compounds 1-4 show 2 bands, while compounds 5-7 show 4 bands in both solvents. Band maxima (λmax) and intensities of the spectra are found to have solvent dependence reflected as blue and red shifts. The theoretical spectra computed at TD-B3LYP/6-311G (d, p) in gas phase, Dioxane and DMF indicate a good agreement with the observed spectra.

  12. Electronic Spectra of Cs2NaYb(NO2)6: Is There Quantum Cutting?

    Science.gov (United States)

    Luo, Yuxia; Liu, Zhenyu; Hau, Sam Chun-Kit; Yeung, Yau Yuen; Wong, Ka-Leung; Shiu, Kwok Keung; Chen, Xueyuan; Zhu, Haomiao; Bao, Guochen; Tanner, Peter A

    2018-05-03

    The crystal structure and electronic spectra of the T h symmetry hexanitritoytterbate(III) anion have been studied in Cs 2 NaY 0.96 Yb 0.04 (NO 2 ) 6 , which crystallizes in the cubic space group Fm3̅. The emission from Yb 3+ can be excited via the NO 2 - antenna. The latter electronic transition is situated at more than twice the energy of the former, but at room temperature, one photon absorbed at 470 nm in the triplet state produces no more than one photon emitted. Some degree of quantum cutting is observed at 298 K under 420 nm excitation into the singlet state and at 25 K using excitation into either state. The quantum efficiency is ∼10% at 25 K. The energy level scheme of Yb 3+ has been deduced from excitation and emission spectra and calculated by crystal field theory. New improved energy level calculations are also reported for the Cs 2 NaLn(NO 2 ) 6 (Ln = Pr, Eu, Tb) series using the f- Spectra package. The neat crystal Cs 2 NaYb(NO 2 ) 6 has also been studied, but results were unsatisfactory due to sample decomposition, and this chemical instability makes it unsuitable for applications.

  13. The principles of electronic and electromechanic power conversion a systems approach

    CERN Document Server

    Ferreira, Braham

    2013-01-01

    Teaching the principles of power electronics and electromechanical power conversion through a unique top down systems approach, The Principles of Electromechanical Power Conversion takes the role and system context of power conversion functions as the starting point. Following this approach, the text defines the building blocks of the system and describes the theory of how they exchange power with each other. The authors introduce a modern, simple approach to machines, which makes the principles of field oriented control and space vector theory approachable to undergraduate students as well as

  14. Resonant spin-flavor conversion of supernova neutrinos: Dependence on electron mole fraction

    International Nuclear Information System (INIS)

    Yoshida, Takashi; Takamura, Akira; Kimura, Keiichi; Yokomakura, Hidekazu; Kawagoe, Shio; Kajino, Toshitaka

    2009-01-01

    Detailed dependence of resonant spin-flavor (RSF) conversion of supernova neutrinos on electron mole fraction Y e is investigated. Supernova explosion forms a hot-bubble and neutrino-driven wind region of which electron mole fraction exceeds 0.5 in several seconds after the core collapse. When a higher resonance of the RSF conversion is located in the innermost region, flavor change of the neutrinos strongly depends on the sign of 1-2Y e . At an adiabatic high RSF resonance the flavor conversion of ν e ↔ν μ,τ occurs in Y e e >0.5 and inverted mass hierarchy. In other cases of Y e values and mass hierarchies, the conversion of ν e ↔ν μ,τ occurs. The final ν e spectrum is evaluated in the cases of Y e e >0.5 taking account of the RSF conversion. Based on the obtained result, time variation of the event number ratios of low ν e energy to high ν e energy is discussed. In normal mass hierarchy, an enhancement of the event ratio should be seen in the period when the electron fraction in the innermost region exceeds 0.5. In inverted mass hierarchy, on the other hand, a dip of the event ratio should be observed. Therefore, the time variation of the event number ratio is useful to investigate the effect of the RSF conversion.

  15. Single-electron pulse-height spectra in thin-gap parallel-plate chambers

    CERN Document Server

    Fonte, Paulo J R; Peskov, Vladimir; Policarpo, Armando

    1999-01-01

    Single-electron pulse-height spectra were measured in 0.6 and 1.2 mm parallel-plate chambers developed for the TOF system of the ALICE /LHC-HI experiment. Mixtures of Ar with ethane, isobutane, and SF/sub 6/ were studied. The observed spectrum shows a clear peak for all gases, suggesting efficient single-electron detection in thin parallel-plate structures. The pulse-height spectrum can be described by the weighted sum of an exponential and a Polya distribution, the Polya contribution becoming more important at higher gains. Additionally, it was found that the maximum gain, above 10/sup 6/, is limited by the appearance of streamers and depends weakly on the gas composition. The suitability of each mixture for single-electron detection is also quantitatively assessed. (8 refs).

  16. Atomic Emission Spectra Diagnosis and Electron Density Measurement of Semiconductor Bridge (SCB) Plasma

    International Nuclear Information System (INIS)

    Feng Hongyan; Zhu Shunguan; Zhang Lin; Wan Xiaoxia; Li Yan; Shen Ruiqi

    2010-01-01

    Emission spectra of a semiconductor bridge (SCB) plasma in a visible range was studied in air. The electron density was measured in a conventional way from the broadening of the A1 I 394.4 nm Stark width. Based on the Saha equation, a system for recording the intensity of Si I 390.5 nm and Si II 413.1 nm was designed. With this technique, the SCB plasma electron density was measured well and accurately. Moreover, the electron density distribution Vs time was acquired from one SCB discharge. The individual result from the broadening of the Al I 394.4 nm Stark width and Saha equation was all in the range of 10 15 cm -3 to 10 16 cm -3 . Finally the presumption of the local thermodynamic equilibrium (LTE) condition was validated.

  17. Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation.

    Science.gov (United States)

    Seibert, Jakob; Bannwarth, Christoph; Grimme, Stefan

    2017-08-30

    A fully quantum mechanical (QM) treatment to calculate electronic absorption (UV-vis) and circular dichroism (CD) spectra of typical biomolecules with thousands of atoms is presented. With our highly efficient sTDA-xTB method, spectra averaged along structures from molecular dynamics (MD) simulations can be computed in a reasonable time frame on standard desktop computers. This way, nonequilibrium structure and conformational, as well as purely quantum mechanical effects like charge-transfer or exciton-coupling, are included. Different from other contemporary approaches, the entire system is treated quantum mechanically and neither fragmentation nor system-specific adjustment is necessary. Among the systems considered are a large DNA fragment, oligopeptides, and even entire proteins in an implicit solvent. We propose the method in tandem with experimental spectroscopy or X-ray studies for the elucidation of complex (bio)molecular structures including metallo-proteins like myoglobin.

  18. Temperature dependence of Q-band electron paramagnetic resonance spectra of nitrosyl heme proteins

    Energy Technology Data Exchange (ETDEWEB)

    Flores, Marco; Wajnberg, Eliane; Bemski, George

    1997-11-01

    The Q-band (35 GHz) electron paramagnetic resonance (EPR) spectra of nitrosyl hemoglobin (Hb N O) and nitrosyl myoglobin (Mb NO) were studied as a function of temperature between 19 K and 200 K. The spectra of both heme proteins show classes of variations as a function of temperature. The first one has previously been associated with the existence of two paramagnetic species, one with rhombic and the other with axial symmetry. The second one manifests itself in changes in the g-factors and linewidths of each species. These changes are correlated with the conformational substates model and associate the variations of g-values with changes in the angle of the N(his)-Fe-N (NO) bond in the rhombic species and with changes in the distance between Fe and N of the proximal (F8) histidine in the axial species. (author) 24 refs., 6 figs.

  19. Conversion-electron experiment to characterize the decay of the 237Np shape isomer

    International Nuclear Information System (INIS)

    Henry, E.A.; Becker, J.A.; Bauer, R.W.; Gardner, D.G.; Decman, D.J.; Meyer, R.A.; Roy, N.; Sale, K.E.

    1987-01-01

    Conversion electrons from the decay of low-lying levels of 237 Np have been measured to detect the population of these levels by gamma-ray decay of the 237 Np shape isomer. Analysis of the 208-keV transition L conversion-electron peak gives an upper limit of about 17 μb for the population of the 3/2 - 267-keV level in 237 Np from the shape isomer decay. Model calculations are compared with the measured limit. Improvements are suggested for this experiment. 9 refs., 4 figs

  20. Initial electron energy spectra in water irradiated by photons with energies to 1 GeV

    International Nuclear Information System (INIS)

    Todo, A.S.; Hiromoto, G.; Turner, J.E.; Hamm, R.N.; Wright, H.A.

    1984-02-01

    This work was undertaken to provide basic physical data for use in the dosimetry of high-energy photons. Present and future sources of such photons are described, and the relevant literature is reviewed and summarized. Calculations were performed with a Monte Carlo computer code, PHOEL-3, which is also described. Tables of initial electron and positron energies are presented for monoenergetic photons undergoing single interactions in water. Photon energies to 1 GeV are treated. The code treats explicitly the production of electron-positron pairs, Compton scattering, photoelectric absorption, and the emission of Auger electrons following the occurrence of K-shell vacancies in oxygen. The tables give directly the information needed to specify the absolute single-collision kerma in water, which approximates tissue, at each photon energy. Results for continuous photon energy spectra can be obtained by using linear interpolation with the tables. (Continuous spectra can also be used directly in PHOEL-3.) The conditions under whch first-collision kerma approximate absorbed dose are discussed. A formula is given for estimating bremsstrahlung energy loss, one of the principal differences between kerma and absorbed dose in practical cases. 31 references, 4 figures, 18 tables

  1. Acceleration of relativistic electrons in plasma reactors and non-linear spectra of cosmic radio sources

    International Nuclear Information System (INIS)

    Kaplan, S.A.; Lomadze, R.D.

    1978-01-01

    A second approximation to the theory of turbulent plasma reactors in connection with the problem of interpretation of the non-linear spectra of cosmic radio sources has been investigated by the authors (Kaplan and Lomadze, 1977; Lomadze, 1977). The present paper discusses the basic results received for a Compton reactor with plasma waves of phase velocities smaller than the velocity of light, as well as for the synchrotron reactor. The distortion of the distribution function of relativistic electrons caused by their diffusion from the reactor is also presented as an example. (Auth.)

  2. Electron impact ionization mass spectra of 3-substituted-2-hydroxy-4(3H)-quinazolinones

    International Nuclear Information System (INIS)

    El Deen, I. M.; Abd El Fattah, M. E.

    2003-01-01

    2-Amino-2-hydroxy-4(3H)-quinazolinone (3) was prepared via condensation of 1 with hydrazine hydrate. Treatment of 3 with appropriate acid in POCl 3 , ethyl chloroacetate and activated olefinic compounds in DMF yielded the corresponding 3-(substituted)amino-2-hydroxy-4(3H)-quinazolinones 4,5 and 6. The electron impact ionization mass spectra of compounds 3 and 4 show a weak molecular ion peak and a base peak of m/z 146 resulting from a cleavage fragmentation. The compounds 5 and 6 give a characteristics fragmentation pattern with a very stable fragment of benzopyrazolone (m/z 132)

  3. Bayesian electron density inference from JET lithium beam emission spectra using Gaussian processes

    Science.gov (United States)

    Kwak, Sehyun; Svensson, J.; Brix, M.; Ghim, Y.-C.; Contributors, JET

    2017-03-01

    A Bayesian model to infer edge electron density profiles is developed for the JET lithium beam emission spectroscopy (Li-BES) system, measuring Li I (2p-2s) line radiation using 26 channels with  ∼1 cm spatial resolution and 10∼ 20 ms temporal resolution. The density profile is modelled using a Gaussian process prior, and the uncertainty of the density profile is calculated by a Markov Chain Monte Carlo (MCMC) scheme. From the spectra measured by the transmission grating spectrometer, the Li I line intensities are extracted, and modelled as a function of the plasma density by a multi-state model which describes the relevant processes between neutral lithium beam atoms and plasma particles. The spectral model fully takes into account interference filter and instrument effects, that are separately estimated, again using Gaussian processes. The line intensities are inferred based on a spectral model consistent with the measured spectra within their uncertainties, which includes photon statistics and electronic noise. Our newly developed method to infer JET edge electron density profiles has the following advantages in comparison to the conventional method: (i) providing full posterior distributions of edge density profiles, including their associated uncertainties, (ii) the available radial range for density profiles is increased to the full observation range (∼26 cm), (iii) an assumption of monotonic electron density profile is not necessary, (iv) the absolute calibration factor of the diagnostic system is automatically estimated overcoming the limitation of the conventional technique and allowing us to infer the electron density profiles for all pulses without preprocessing the data or an additional boundary condition, and (v) since the full spectrum is modelled, the procedure of modulating the beam to measure the background signal is only necessary for the case of overlapping of the Li I line with impurity lines.

  4. Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum-mechanical methods

    DEFF Research Database (Denmark)

    Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel

    2011-01-01

    Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...

  5. Calculation of dose-rate conversion factors for external exposure to photons and electrons

    International Nuclear Information System (INIS)

    Kocher, D.C.

    1978-01-01

    Methods are presented for the calculation of dose-rate conversion factors for external exposure to photon and electron radiation from radioactive decay. A dose-rate conversion factor is defined as the dose-equivalent rate per unit radionuclide concentration. Exposure modes considered are immersion in contaminated air, immersion in contaminated water, and irradiation from a contaminated ground surface. For each radiation type and exposure mode, dose-rate conversion factors are derived for tissue-equivalent material at the body surface of an exposed individual. In addition, photon dose-rate conversion factors are estimated for 22 body organs. The calculations are based on the assumption that the exposure medium is infinite in extent and that the radionuclide concentration is uniform. The dose-rate conversion factors for immersion in contaminated air and water then follow from the requirement that all of the energy emitted in the radioactive decay is absorbed in the infinite medium. Dose-rate conversion factors for ground-surface exposure are calculated at a reference location above a smooth, infinite plane using the point-kernel integration method and known specific absorbed fractions for photons and electrons in air

  6. Low-temperature system for simultaneous counting of conversion electrons and backscattered [gamma]-rays in Moessbauer effect experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ruskov, Todor (Institute for Nuclear Research and Nuclear Energy, Tsarigradsko shosse 72, Sofia 1784 (Bulgaria)); Passage, Guener (Institute for Nuclear Research and Nuclear Energy, Tsarigradsko shosse 72, Sofia 1784 (Bulgaria)); Rastanawi, Abdallah (Institute for Nuclear Research and Nuclear Energy, Tsarigradsko shosse 72, Sofia 1784 (Bulgaria)); Radev, Rumen (Institute for Nuclear Research and Nuclear Energy, Tsarigradsko shosse 72, Sofia 1784 (Bulgaria))

    1994-12-01

    A system for simultaneous detection of conversion electrons, emitted after resonant exciting of [sup 57]Fe, and resonant backscattered [gamma]-rays and X-rays, accompanying the conversion electrons, is described. The system includes a helium proportional counter, for detection of conversion electrons, and a toroidal ''Keisch-type'' proportional counter, connected to the vacuum part of a helium cryostat. ((orig.))

  7. Dose conversion coefficients for high-energy photons, electrons, neutrons and protons

    International Nuclear Information System (INIS)

    Sakamoto, Yukio

    2005-01-01

    Dose conversion coefficients for photons, electrons and neutrons based on new ICRP recommendations were cited in the ICRP Publication 74, but the energy ranges of these data were limited and there are no data for high energy radiations produced in accelerator facilities. For the purpose of designing the high intensity proton accelerator facilities at JAERI, the dose evaluation code system of high energy radiations based on the HERMES code was developed and the dose conversion coefficients of effective dose were evaluated for photons, neutrons and protons up to 10 GeV, and electrons up to 100 GeV. The dose conversion coefficients of effective dose equivalent were also evaluated using quality factors to consider the consistency between radiation weighting factors and Q-L relationship. The effective dose conversion coefficients obtained in this work were in good agreement with those recently evaluated by using FLUKA code for photons and electrons with all energies, and neutrons and protons below 500 MeV. There were some discrepancy between two data owing to the difference of cross sections in the nuclear reaction models. The dose conversion coefficients of effective dose equivalents for high energy radiations based on Q-L relation in ICRP Publication 60 were evaluated only in this work. The previous comparison between effective dose and effective dose equivalent made it clear that the radiation weighting factors for high energy neutrons and protons were overestimated and the modification was required. (author)

  8. Characteristic electron energy loss spectra in SiC buried layers formed by C+ implantation into crystalline silicon

    International Nuclear Information System (INIS)

    Yan Hui; Chen Guanghua; Kwok, R.W.M.

    1998-01-01

    SiC buried layers were synthesized by a metal vapor vacuum arc ion source, with C + ions implanted into crystalline Si substrates. According to X-ray photoelectron spectroscopy, the characteristic electron energy loss spectra of the SiC buried layers were studied. It was found that the characteristic electron energy loss spectra depend on the profiles of the carbon content, and correlate well with the order of the buried layers

  9. Many-electron effect in the resonant Auger electron spectroscopy spectra of adsorbates

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    It is shown by a many-body theory that a resonantly excited core hole state in a chemisorbed molecule such as CO/Ni, CO/Pd, and CO/Pt relaxes to a fully relaxed one, i.e., the ionized core hole state of the smallest binding energy observed by photoelectron spectroscopy, before the core hole decays so that the resonant Auger electron spectroscopy (RAES) spectrum shows the normal Auger decay spectrum. It is shown by a many-body theory that the Auger peaks on the higher kinetic energy (K.E.) side in the RAES or AES spectrum, i.e., so called back-bonding peaks, are the two-hole states consisting of a valence hole and a hole in the adsorbate-substrate hybrid states below the substrate Fermi level. The latter hole is the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the back-bonding peak energy and the single valence-hole energy provides an important information about the change in the density of the hybrid states occupied by the screening electron from the core hole state to the valence-hole state. The difference between the RAES spectrum measured at the resonance energy and the AES spectrum measured at far above the ionization limit shows the competition between relaxation and decay of shakeup satellites such as the charge transfer (CT) shakeup. The relaxation rate of the CT shakeup state can be determined by Auger-photoelectron coincidence spectroscopy (APECS)

  10. Electronic spectra of plutonium ions in nitric acid and in lithium nitrate solutions

    International Nuclear Information System (INIS)

    Mekhail, F.M.

    1987-01-01

    The absorption spectra of plutonium ions in nitric acid have been described. There is a characteristic change in the absorption spectra of Pu v in lithium nitrate solutions. In 2 M-lithium nitrate a new peak at 969 nm and high absorption at 1200 nm are noticed. A decrease in the absorption by about 20% and the appearance of a new shoulder at 1120 nm in 6 M-lithium nitrate are found. There is no change in the spectrum in 4 M-lithium nitrate. The absorption spectra of plutonium ions in the spectral range 200 - 400 nm are interesting. All plutonium ions have an intense band in the region 250 - 260 nm as well as a less intense and rather diffuse band at 320 - 330 nm in lithium nitrate solutions the sharp band at 250 - 260 nm has disappeared. This suggests that this band is very sensitive to the environmental field. The band is probably produced by 5 F q → 5 f q-1 6 d transition as well as electron transfer. It is believed that the spectrum of Pu V at pH 6.5 represents the hydrolysis product Pu O 2 (O H). 9 fig., 4 tab

  11. SU-E-T-238: Deriving Electron Contamination Spectra From Pure and Clinical Photon Beams

    International Nuclear Information System (INIS)

    Smit, C; Plessis, F du

    2015-01-01

    Purpose: To extract the electron contamination energy spectra for an Elekta Precise Linac, based on pure photon and measured clinical beam percentage depth dose data. And to include this as an additional source in isource 4 in DOSXYZnrc. Methods: A pure photon beam was simulated for the Linac using isource 4 in the DOSXYZnrc Monte Carlo (MC) code. Percentage depth dose (PDD) data were extracted afterwards for a range of field sizes (FS). These simulated dose data were compared to actual measured dose PDD data, with the data normalized at 10 cm depth. The resulting PDD data resembled the electron contamination depth dose. Since the dose fall-off is a strictly decreasing function, a method was adopted to derive the contamination electron spectrum. Afterwards this spectrum was used in a DOSXYZnrc MC simulation run to verify that the original electron depth dose could be replicated. Results: Various square aperture FS’s for 6, 8 and 15 megavolt (MV) photon beams were modeled, simulated and compared to their respective actual measured PDD data. As FS increased, simulated pure photon depth-dose profiles shifted deeper, thus requiring electron contamination to increase the surface dose. The percentage of electron weight increased with increase in FS. For a FS of 15×15 cm 2 , the percentage electron weight is 0.1%, 0.2% and 0.4% for 6, 8 and 15 MV beams respectively. Conclusion: From the PDD results obtained, an additional electron contamination source was added to the photon source model so that simulation and measured PDD data could match within 2 % / 2 mm gamma-index criteria. The improved source model could assure more accurate simulations of surface doses. This research project was funded by the South African Medical Research Council (MRC) with funds from National Treasury under its Economic Competitiveness and Support package

  12. SU-E-T-238: Deriving Electron Contamination Spectra From Pure and Clinical Photon Beams

    Energy Technology Data Exchange (ETDEWEB)

    Smit, C; Plessis, F du [University of the Free State, Bloemfontein, Free State (South Africa)

    2015-06-15

    Purpose: To extract the electron contamination energy spectra for an Elekta Precise Linac, based on pure photon and measured clinical beam percentage depth dose data. And to include this as an additional source in isource 4 in DOSXYZnrc. Methods: A pure photon beam was simulated for the Linac using isource 4 in the DOSXYZnrc Monte Carlo (MC) code. Percentage depth dose (PDD) data were extracted afterwards for a range of field sizes (FS). These simulated dose data were compared to actual measured dose PDD data, with the data normalized at 10 cm depth. The resulting PDD data resembled the electron contamination depth dose. Since the dose fall-off is a strictly decreasing function, a method was adopted to derive the contamination electron spectrum. Afterwards this spectrum was used in a DOSXYZnrc MC simulation run to verify that the original electron depth dose could be replicated. Results: Various square aperture FS’s for 6, 8 and 15 megavolt (MV) photon beams were modeled, simulated and compared to their respective actual measured PDD data. As FS increased, simulated pure photon depth-dose profiles shifted deeper, thus requiring electron contamination to increase the surface dose. The percentage of electron weight increased with increase in FS. For a FS of 15×15 cm{sup 2}, the percentage electron weight is 0.1%, 0.2% and 0.4% for 6, 8 and 15 MV beams respectively. Conclusion: From the PDD results obtained, an additional electron contamination source was added to the photon source model so that simulation and measured PDD data could match within 2 % / 2 mm gamma-index criteria. The improved source model could assure more accurate simulations of surface doses. This research project was funded by the South African Medical Research Council (MRC) with funds from National Treasury under its Economic Competitiveness and Support package.

  13. Study of electron beam energy conversion at gyrocon-linear accelerator facility

    International Nuclear Information System (INIS)

    Karliner, M.M.; Makarov, I.G.; Ostreiko, G.N.

    2004-01-01

    A gyrocon together with the high-voltage 1.5 MeV accelerator ELIT-3A represents a power generator at 430 MHz serving for linear electron accelerator pulse driving. The facility description and results of calorimetric measurements of ELIT-3A electron beam power and accelerated beam at the end of accelerator are presented in the paper. The achieved energy conversion efficiency is about 55%

  14. Mode-conversion process and overdense-plasma heating in the electron cyclotron range of frequencies

    International Nuclear Information System (INIS)

    Nakajima, S.; Abe, H.

    1988-01-01

    Through a particle-simulation investigation, a new mode-conversion process, through which an incident fast extraordinary mode (fast X mode) is converted into an electron Bernstein mode (B mode) via a (slow extraordinary mode slow X mode), is discovered in plasmas whose maximum density exceeds the cutoff density of the slow X mode. The converted B mode is found to heat the electrons efficiently in an overdense plasma region, when the plasma has the optimum density gradient at the plasma surface

  15. Dose conversion coefficients for high-energy photons, electrons, neutrons and protons

    CERN Document Server

    Sakamoto, Y; Sato, O; Tanaka, S I; Tsuda, S; Yamaguchi, Y; Yoshizawa, N

    2003-01-01

    In the International Commission on Radiological Protection (ICRP) 1990 Recommendations, radiation weighting factors were introduced in the place of quality factors, the tissue weighting factors were revised, and effective doses and equivalent doses of each tissues and organs were defined as the protection quantities. Dose conversion coefficients for photons, electrons and neutrons based on new ICRP recommendations were cited in the ICRP Publication 74, but the energy ranges of theses data were limited and there are no data for high energy radiations produced in accelerator facilities. For the purpose of designing the high intensity proton accelerator facilities at JAERI, the dose evaluation code system of high energy radiations based on the HERMES code was developed and the dose conversion coefficients of effective dose were evaluated for photons, neutrons and protons up to 10 GeV, and electrons up to 100 GeV. The dose conversion coefficients of effective dose equivalent were also evaluated using quality fact...

  16. Application of the generalized multi structural (GMS) wave function to photoelectron spectra and electron scattering processes

    International Nuclear Information System (INIS)

    Nascimento, M.A.C. do

    1992-01-01

    A Generalized Multi Structural (GMS) wave function is presented which combines the advantages of the SCF-MO and VB models, preserving the classical chemical structures but optimizing the orbitals in a self-consistent way. This wave function is particularly suitable to treat situations where the description of the molecular state requires localized wave functions. It also provides a very convenient way of treating the electron correlation problem, avoiding large CI expansions. The final wave functions are much more compact and easier to interpret than the ones obtained by the conventional methods, using orthogonal orbitals. Applications of the GMS wave function to the study of the photoelectron spectra of the trans-glyoxal molecule and to electron impact excitation processes in the nitrogen molecule are presented as an illustration of the method. (author)

  17. A new magnetic spectrometer for the investigation of the internal conversion electron in capture reaction

    International Nuclear Information System (INIS)

    Suarez, A.A.

    1978-01-01

    Planning, development and manufacture of a new beta spectrometer for the investigation of the internal conversion electrons, from 0,02 to 10 MeV, emitted during the radioative capture process of the thermal neutrons. The resolution on the base of resolution curve is about 1,5 X 10 sup(-3) [pt

  18. Contribution of back-scattered electromagnetic rays to the Moessbauer conversion electron spectrum

    International Nuclear Information System (INIS)

    Ruskov, T.; Ruskov, R.; Paneva, D.; Lefterov, D.

    1999-01-01

    The contribution of back-scattered electromagnetic rays in a 57 Fe conversion electron Moessbauer spectrum is considered using proportional counter as a detector. A simplified method for measuring this contribution is described. The experimental results show that this contribution strongly depends on the construction of the counter and the selected fraction in the pulse-height spectrum

  19. Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules

    International Nuclear Information System (INIS)

    Wang Feng; Ma Xiaoguang; Selvam, Lalitha; Gribakin, Gleb; Surko, Clifford M

    2012-01-01

    The Doppler-shift spectra of the γ-rays from positron annihilation in molecules were determined by using the momentum distribution of the annihilation electron–positron pair. The effect of the positron wavefunction on spectra was analysed in a recent paper (Green et al 2012 New J. Phys. 14 035021). In this companion paper, we focus on the dominant contribution to the spectra, which arises from the momenta of the bound electrons. In particular, we use computational quantum chemistry models (Hartree–Fock with two basis sets and density functional theory (DFT)) to calculate the wavefunctions of the bound electrons. Numerical results are presented for noble gases and small molecules such as H 2 , N 2 , O 2 , CH 4 and CF 4 . The calculations reveal relatively small effects on the Doppler-shift spectra from the level of inclusion of electron correlation energy in the models. For atoms, the difference in the full-width at half-maximum of the spectra obtained using the Hartree–Fock and DFT models does not exceed 2%. For molecules the difference can be much larger, reaching 8% for some molecular orbitals. These results indicate that the predicted positron annihilation spectra for molecules are generally more sensitive to inclusion of electron correlation energies in the quantum chemistry model than the spectra for atoms are. (paper)

  20. Changes in electron precipitation inferred from spectra deduced from D region electron densities during a post--magnetic storm effect

    International Nuclear Information System (INIS)

    Montbriand, L.E.; Belrose, J.S.

    1976-01-01

    The occurrence of enhanced ionization after geomagnetic storms, commonly referred to as storm aftereffect, is investigated on the hypothesis that the enhancement is due to a 'drizzle' of energetic electrons from the radiation belts. The study utilized electron density-height profiles obtained from the partial reflection experiment at Ottawa and available information on the height profile of the steady state loss coefficient for energetic electron events in combination with the ion pair production treatments of Ress (1963) and Berger et al. (1974) to deduce two-component differential energy spectra of the electron drizzle. The period studied, December 13--20, 1970, was unique for examining poststorm effects in that the geomagnetic storm on December 14--15 was intense and brief, and it was preceded and followed by periods of geomagnetic calm. The results indicate that the drizzle deduced was minimal before the storm and on the storm day and maximized 2--3 days after the peak of the storm at a time when geomagnetic activity had returned to calm. The results also suggest that the spectrum was hardest shortly after the drizzle maximized. No satisfactory source for the enhanced ionization during the poststorm other than particle drizzle could be found that would produce both the magnitude and the diurnal variation of the effect observed, a conclusion which establishes the validity of the hypothesis made

  1. Hot-electron-based solar energy conversion with metal-semiconductor nanodiodes

    Science.gov (United States)

    Lee, Young Keun; Lee, Hyosun; Lee, Changhwan; Hwang, Euyheon; Park, Jeong Young

    2016-06-01

    Energy dissipation at metal surfaces or interfaces between a metal and a dielectric generally results from elementary excitations, including phonons and electronic excitation, once external energy is deposited to the surface/interface during exothermic chemical processes or an electromagnetic wave incident. In this paper, we outline recent research activities to develop energy conversion devices based on hot electrons. We found that photon energy can be directly converted to hot electrons and that hot electrons flow through the interface of metal-semiconductor nanodiodes where a Schottky barrier is formed and the energy barrier is much lower than the work function of the metal. The detection of hot electron flow can be successfully measured using the photocurrent; we measured the photoyield of photoemission with incident photons-to-current conversion efficiency (IPCE). We also show that surface plasmons (i.e. the collective oscillation of conduction band electrons induced by interaction with an electromagnetic field) are excited on a rough metal surface and subsequently decay into secondary electrons, which gives rise to enhancement of the IPCE. Furthermore, the unique optical behavior of surface plasmons can be coupled with dye molecules, suggesting the possibility for producing additional channels for hot electron generation.

  2. Time of flight spectra of electrons emitted from graphite after positron annihilation

    International Nuclear Information System (INIS)

    Gladen, R W; Chirayath, V A; Chrysler, M D; Mcdonald, A D; Fairchild, A J; Shastry, K; Koymen, A R; Weiss, A H

    2017-01-01

    Low energy (∼2 eV) positrons were deposited onto the surface of highly oriented pyrolytic graphite (HOPG) using a positron beam equipped with a time of flight (TOF) spectrometer. The energy of the electrons emitted as a result of various secondary processes due to positron annihilation was measured using the University of Texas at Arlington’s (UTA) TOF spectrometer. The positron annihilation-induced electron spectra show the presence of a carbon KLL Auger peak at ∼263 eV. The use of a very low energy beam allowed us to observe a new feature not previously seen: a broad peak which reached to a maximum intensity at ∼4 eV and extended up to a maximum energy of ∼15 eV. The low energy nature of the peak was confirmed by the finding that the peak was eliminated when a tube in front of the sample was biased at -15 V. The determination that the electrons in the peak are leaving the surface with energies up to 7 times the incoming positron energy indicates that the electrons under the broad peak were emitted as a result of a positron annihilation related process. (paper)

  3. Electrochemically enhanced microbial CO conversion to volatile fatty acids using neutral red as an electron mediator.

    Science.gov (United States)

    Im, Chae Ho; Kim, Changman; Song, Young Eun; Oh, Sang-Eun; Jeon, Byong-Hun; Kim, Jung Rae

    2018-01-01

    Conversion of C1 gas feedstock, including carbon monoxide (CO), into useful platform chemicals has attracted considerable interest in industrial biotechnology. Nevertheless, the low conversion yield and/or growth rate of CO-utilizing microbes make it difficult to develop a C1 gas biorefinery process. The Wood-Ljungdahl pathway which utilize CO is a pathway suffered from insufficient electron supply, in which the conversion can be increased further when an additional electron source like carbohydrate or hydrogen is provided. In this study, electrode-based electron transference using a bioelectrochemical system (BES) was examined to compensate for the insufficient reducing equivalent and increase the production of volatile fatty acids. The BES including neutral red (BES-NR), which facilitated electron transfer between bacteria and electrode, was compared with BES without neutral red and open circuit control. The coulombic efficiency based on the current input to the system and the electrons recovered into VFAs, was significantly higher in BES-NR than the control. These results suggest that the carbon electrode provides a platform to regulate the redox balance for improving the bioconversion of CO, and amending the conventional C1 gas fermentation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Complementary views on electron spectra: From fluctuation diagnostics to real-space correlations

    Science.gov (United States)

    Gunnarsson, O.; Merino, J.; Schäfer, T.; Sangiovanni, G.; Rohringer, G.; Toschi, A.

    2018-03-01

    We study the relation between the microscopic properties of a many-body system and the electron spectra, experimentally accessible by photoemission. In a recent paper [O. Gunnarsson et al., Phys. Rev. Lett. 114, 236402 (2015), 10.1103/PhysRevLett.114.236402], we introduced the "fluctuation diagnostics" approach to extract the dominant wave-vector-dependent bosonic fluctuations from the electronic self-energy. Here, we first reformulate the theory in terms of fermionic modes to render its connection with resonance valence bond (RVB) fluctuations more transparent. Second, by using a large-U expansion, where U is the Coulomb interaction, we relate the fluctuations to real-space correlations. Therefore, it becomes possible to study how electron spectra are related to charge, spin, superconductivity, and RVB-like real-space correlations, broadening the analysis of an earlier work [J. Merino and O. Gunnarsson, Phys. Rev. B 89, 245130 (2014), 10.1103/PhysRevB.89.245130]. This formalism is applied to the pseudogap physics of the two-dimensional Hubbard model, studied in the dynamical cluster approximation. We perform calculations for embedded clusters with up to 32 sites, having three inequivalent K points at the Fermi surface. We find that as U is increased, correlation functions gradually attain values consistent with an RVB state. This first happens for correlation functions involving the antinodal point and gradually spreads to the nodal point along the Fermi surface. Simultaneously, a pseudogap opens up along the Fermi surface. We relate this to a crossover from a Kondo-type state to an RVB-like localized cluster state and to the presence of RVB and spin fluctuations. These changes are caused by a strong momentum dependence in the cluster bath couplings along the Fermi surface. We also show, from a more algorithmic perspective, how the time-consuming calculations in fluctuation diagnostics can be drastically simplified.

  5. Conversion of sulfur and nitrogen oxides in air under exposure to microsecond electron beams

    International Nuclear Information System (INIS)

    Denisov, G.V.; Kuznetsov, D.L.; Novoselov, Yu.N.; Tkachenko, R.M.

    2002-01-01

    Flue gases of power plants realizing sulfur and nitrogen oxides into the atmosphere represent one of the environmental pollution sources. Paper presents the results of experimental investigations of conversion of sulfur and nitrogen oxides in the ionized gas mixture simulating composition of off-gases of thermal power stations. Pulse beam of microsecond duration electrons was used as a source of ionization. Mutual influence of both types of oxides on process of their conversion is shown. One studied possible kinetic mechanisms to remove sulfur and nitrogen oxides from gaseous mixture [ru

  6. Identification of trapped electron modes in frequency fluctuation spectra of fusion plasmas

    International Nuclear Information System (INIS)

    Arnichand, Hugo

    2015-01-01

    frequency spectra responsible for the QC modes observed experimentally. This interpretation of the measured spectra is made via a synthetic reflectometer diagnostic using the gyrokinetic simulations as an input. The QC modes observed in the plasma core have then been renamed QC-TEM as a reference of their TEM origins. Thereafter, the first applications of the knowledge of QC-TEM properties are made in Ohmic plasmas of Tore Supra, TEXTOR, JET and ASDEX-Upgrade. The global disappearance of QC-TEM simultaneously with the LOC-SOC transition suggests that the stabilization of TEM plays an important role in the change of Ohmic regime. The disappearance of QC-TEM can also be correlated to intrinsic toroidal velocity bifurcation, which is not explained by neoclassical predictions. Another application using the QC signature of TEM has been done in Tore Supra ECRH plasmas. A previous study found an increase of the diffusion coefficient with the electron temperature gradient in a region predicted to be dominated by electron modes (r/a ≤ 0.2). Further out (r/a ≥ 0.2), the diffusion was independent of the electron temperature gradient in a region dominated by ion turbulence. Reflectometry measurements brought an additional indication by showing the presence of QC-TEM at r/a ≤ 0.2 and a broadband spectrum at r/a ≥ 0.2, supporting the previous investigations. Finally, transitions between electrostatic fluctuations (QC-TEM) and electromagnetic MHD modes have been observed. Spatial transitions from TEM toward MHD modes are reported in Ohmic ASDEX Upgrade plasmas and Tore Supra plasmas heated with Lower Hybrid (LH) waves. They may contribute to the sudden stabilization of TEM observed toward the plasma center. Temporal interplay between QC-TEM and MHD modes has also been observed with various heating schemes in Tore Supra plasmas (LH and electron cyclotron resonance heating), and in JET with neutral beam injection heating. This interplay which may have different drives (sawtooth

  7. Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Nomura, Kiyoshi

    1978-01-01

    The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

  8. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    Energy Technology Data Exchange (ETDEWEB)

    Fujihashi, Yuta; Ishizaki, Akihito, E-mail: ishizaki@ims.ac.jp [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan); Fleming, Graham R. [Department of Chemistry, University of California, Berkeley and Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  9. A study of core electron binding energies in technetium-99m complexes by internal conversion electron spectroscopy

    International Nuclear Information System (INIS)

    Burke, J.F.; Archer, C.M.; Wei Chiu, K.; Latham, I.A.; Egdell, R.G.

    1991-01-01

    Core electron binding energies in a series of 99m Tc complexes have been studied by internal conversion electron spectroscopy (ICES) in a conventional x-ray photoelectron spectrometer. In both 3d and 3p regions, a chemical shift of about 1 eV is observed per unit increase in oxidation state. The role of ICES in characterizing radiopharmaceutical agents is illustrated with studies of some novel 99m Tc-phosphine complexes that have been developed for myocardial perfusion imaging. (author)

  10. Radiative electron rearrangement and polarization in target K x-ray spectra

    International Nuclear Information System (INIS)

    Jamison, K.A.

    1978-01-01

    Two topics in the atomic physics of ion-atom collisions are studied. The first is an investigation of a free-atom decay process that is shown to be a two-electron one-photon decay. This two-electron decay requires an initial state with multiple inner-shell vacancies that has a high probability of creation in ion-atom collisions. Because this decay promotes one electron to a higher shell while allowing the other to fall to a lower shell, it is referred to as radiative electron rearrangement (RER). The investigation of this process includes the experimental study of the x-ray spectra region approx. 150 eV below the characteristic Kα 1 2 target radiation in third period elements when bombarded by various ion beams in the energy range 1 to 2 MeV/amu. Theoretical calculations of the transition energies, line strengths, and line widths are performed to verify the origin of the RER lines. The second topic of consideration is the study of the polarization of Kα satellite radiation from targets of Al and Si. It is shown that the polarization, which is observed experimentally with a curved-crystal polarimeter, is due to the nonstatistical population of the magnetic substates created in specific ion-atom collisions. Further, the polarization of the RER lines is studied. The connection between the polarization of the normal Kα satellite radiation and the polarization of the RER lines adds final proof to their origin as two-electron one-photon transitions

  11. A comparison between spectra of runaway electron beams in SF6 and air

    International Nuclear Information System (INIS)

    Zhang, Cheng; Wang, Ruexue; Yan, Ping; Shao, Tao; Tarasenko, Victor; Gu, Jianwei; Baksht, Evgenii

    2015-01-01

    Runaway electron (RAE) with extremely high-energy plays important role on the avalanche propagation, streamer formation, and ionization waves in nanosecond-pulse discharges. In this paper, the generation of a supershort avalanche electron beam (SAEB) in SF 6 and air in an inhomogeneous electric field is investigated. A VPG-30-200 generator with a pulse rise time of ∼1.6 ns and a full width at half maximum of 3–5 ns is used to produce RAE beams. The SAEBs in SF 6 and air are measured by using aluminum foils with different thicknesses. Furthermore, the SAEB spectra in SF 6 and air at pressures of 7.5 Torr, 75 Torr, and 750 Torr are compared. The results showed that amplitude of RAE beam current generated at the breakdown in SF 6 was approximately an order of magnitude less than that in air. The energy of SAEB in air was not smaller than that in SF 6 in nanosecond-pulse discharges under otherwise equal conditions. Moreover, the difference between the maximum energy of the electron distributions in air and SF 6 decreased when the rise time of the voltage pulse increased. It was because the difference between the breakdown voltages in air and SF 6 decreased when the rise time of the voltage pulse increased

  12. A comparison between spectra of runaway electron beams in SF6 and air

    Science.gov (United States)

    Zhang, Cheng; Tarasenko, Victor; Gu, Jianwei; Baksht, Evgenii; Wang, Ruexue; Yan, Ping; Shao, Tao

    2015-12-01

    Runaway electron (RAE) with extremely high-energy plays important role on the avalanche propagation, streamer formation, and ionization waves in nanosecond-pulse discharges. In this paper, the generation of a supershort avalanche electron beam (SAEB) in SF6 and air in an inhomogeneous electric field is investigated. A VPG-30-200 generator with a pulse rise time of ˜1.6 ns and a full width at half maximum of 3-5 ns is used to produce RAE beams. The SAEBs in SF6 and air are measured by using aluminum foils with different thicknesses. Furthermore, the SAEB spectra in SF6 and air at pressures of 7.5 Torr, 75 Torr, and 750 Torr are compared. The results showed that amplitude of RAE beam current generated at the breakdown in SF6 was approximately an order of magnitude less than that in air. The energy of SAEB in air was not smaller than that in SF6 in nanosecond-pulse discharges under otherwise equal conditions. Moreover, the difference between the maximum energy of the electron distributions in air and SF6 decreased when the rise time of the voltage pulse increased. It was because the difference between the breakdown voltages in air and SF6 decreased when the rise time of the voltage pulse increased.

  13. A comparison between spectra of runaway electron beams in SF{sub 6} and air

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Cheng; Wang, Ruexue; Yan, Ping; Shao, Tao, E-mail: st@mail.iee.ac.cn [Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Key Laboratory of Power Electronics and Electric Drive, Chinese Academy of Sciences, Beijing 100190 (China); Tarasenko, Victor [Institute of High Current Electronics, 2/3 Akademichesky Ave., Tomsk 634055 (Russian Federation); National Research Tomsk State University, 36 Lenin Ave., Tomsk 634050 (Russian Federation); Gu, Jianwei [Institute of Electrical Engineering, Chinese Academy of Sciences, Beijing 100190 (China); Baksht, Evgenii [Institute of High Current Electronics, 2/3 Akademichesky Ave., Tomsk 634055 (Russian Federation)

    2015-12-15

    Runaway electron (RAE) with extremely high-energy plays important role on the avalanche propagation, streamer formation, and ionization waves in nanosecond-pulse discharges. In this paper, the generation of a supershort avalanche electron beam (SAEB) in SF{sub 6} and air in an inhomogeneous electric field is investigated. A VPG-30-200 generator with a pulse rise time of ∼1.6 ns and a full width at half maximum of 3–5 ns is used to produce RAE beams. The SAEBs in SF{sub 6} and air are measured by using aluminum foils with different thicknesses. Furthermore, the SAEB spectra in SF{sub 6} and air at pressures of 7.5 Torr, 75 Torr, and 750 Torr are compared. The results showed that amplitude of RAE beam current generated at the breakdown in SF{sub 6} was approximately an order of magnitude less than that in air. The energy of SAEB in air was not smaller than that in SF{sub 6} in nanosecond-pulse discharges under otherwise equal conditions. Moreover, the difference between the maximum energy of the electron distributions in air and SF{sub 6} decreased when the rise time of the voltage pulse increased. It was because the difference between the breakdown voltages in air and SF{sub 6} decreased when the rise time of the voltage pulse increased.

  14. Warm Dark Matter Sterile Neutrinos in Electron Capture and Beta Decay Spectra

    Directory of Open Access Journals (Sweden)

    O. Moreno

    2016-01-01

    Full Text Available We briefly review the motivation to search for sterile neutrinos in the keV mass scale, as dark matter candidates, and the prospects to find them in beta decay or electron capture spectra, with a global perspective. We describe the fundamentals of the neutrino flavor-mass eigenstate mismatch that opens the possibility of detecting sterile neutrinos in such ordinary nuclear processes. Results are shown and discussed for the effect of heavy neutrino emission in electron capture in Holmium 163 and in two isotopes of Lead, 202 and 205, as well as in the beta decay of Tritium. We study the deexcitation spectrum in the considered cases of electron capture and the charged lepton spectrum in the case of Tritium beta decay. For each of these cases, we define ratios of integrated transition rates over different regions of the spectrum under study and give new results that may guide and facilitate the analysis of possible future measurements, paying particular attention to forbidden transitions in Lead isotopes.

  15. Measurement of the intensity ratio of Auger and conversion electrons for the electron capture decay of 125I.

    Science.gov (United States)

    Alotiby, M; Greguric, I; Kibédi, T; Lee, B Q; Roberts, M; Stuchbery, A E; Tee, Pi; Tornyi, T; Vos, M

    2018-03-21

    Auger electrons emitted after nuclear decay have potential application in targeted cancer therapy. For this purpose it is important to know the Auger electron yield per nuclear decay. In this work we describe a measurement of the ratio of the number of conversion electrons (emitted as part of the nuclear decay process) to the number of Auger electrons (emitted as part of the atomic relaxation process after the nuclear decay) for the case of 125 I. Results are compared with Monte-Carlo type simulations of the relaxation cascade using the BrIccEmis code. Our results indicate that for 125 I the calculations based on rates from the Evaluated Atomic Data Library underestimate the K Auger yields by 20%.

  16. Measurement of the intensity ratio of Auger and conversion electrons for the electron capture decay of 125I

    Science.gov (United States)

    Alotiby, M.; Greguric, I.; Kibédi, T.; Lee, B. Q.; Roberts, M.; Stuchbery, A. E.; Tee, Pi; Tornyi, T.; Vos, M.

    2018-03-01

    Auger electrons emitted after nuclear decay have potential application in targeted cancer therapy. For this purpose it is important to know the Auger electron yield per nuclear decay. In this work we describe a measurement of the ratio of the number of conversion electrons (emitted as part of the nuclear decay process) to the number of Auger electrons (emitted as part of the atomic relaxation process after the nuclear decay) for the case of 125I. Results are compared with Monte-Carlo type simulations of the relaxation cascade using the BrIccEmis code. Our results indicate that for 125I the calculations based on rates from the Evaluated Atomic Data Library underestimate the K Auger yields by 20%.

  17. Availability of nuclear decay data in electronic form, including beta spectra not previously published

    International Nuclear Information System (INIS)

    Eckerman, K.F.; Westfall, R.J.; Ryman, J.C.; Cristy, M.

    1994-01-01

    The unabridged data used in preparing ICRP Publication 38 (1983) and a monograph of the Medical Internal Radiation Dose (MIRD) Committee are now available in electronic form. The open-quotes ICRP38 collectionclose quotes contains data on the energies and intensities of radiations emitted by 825 radionuclides (those in ICRP Publication 38 plus 13 from the MIRD monograph), and the open-quotes MIRD collectionclose quotes contains data on 242 radionuclides. Each collection consists of a radiations data file and a beta spectra data file. The radiations data file contains the complete listing of the emitted radiations, their types, mean or unique energies, and absolute intensities for each radionuclide, the probability that a beta particle will be emitted with kinetic energies defined by a standard energy grid. Although summary information from the radiation data files has been published, neither the unabridged data nor the beta spectra have been published. These data files and a data extraction utility, which runs on a personal computer, are available from the Radiation Shielding Information Center at Oak Ridge National Laboratory. 13 refs., 1 fig., 6 tabs

  18. Wavelength-selective bleaching of the optical spectra of trapped electrons in organic glasses. II

    International Nuclear Information System (INIS)

    Paraszczak, J.; Willard, J.E.

    1979-01-01

    Further resolution of the inhomogeneous optical spectra of trapped electrons (e - /sub t/) in organic glasses has been obtained from wavelength selective bleaching and thermal decay studies on 3-methylpentane-d 14 (3MP-d 14 ) and 2-methyltetrahydrofuran (MTHF) following γ irradiation in the temperature region of 20 K, and limits on the degree of resolution achievable have been indicated. Exposure of 3MP-d 14 to light of wavelengths >2100 nm (from a tunable laser) reduces the optical densities at the bleaching wavelength and longer to zero, while ''peeling off'' a portion of the O.D. at all shorter wavelengths but leaving the remainder of the spectrum unaffected. The fraction of the integrated optical spectrum, ∫OD d (eV), removed by bleaching at each wavelength tested, and also by thermal decay, is equivalent to the fraction of the total e - /sub t/ spins removed and measured by ESR. 1064 nm light bleaches the spectrum nearly uniformly, confirming that the spectra of all of the e - /sub t/ have blue tails with similar ease of bleaching. Heretofore unobserved low temperature thermal decay of e - /sub t/ occurs at 20 and 40 K (20% of the spin concentration in 30 min, 35% in 3h). The rate of decay of the optical spectrum decreases with decreasing wavelength of observation (2.5, 2.2, 1.8, and 1.5 μ), but at each wavelength is the same at 40 K as at 20 K, consistent

  19. Spin-charge conversion in disordered two-dimensional electron gases lacking inversion symmetry

    Science.gov (United States)

    Huang, Chunli; Milletarı, Mirco; Cazalilla, Miguel A.

    2017-11-01

    We study the spin-charge conversion mechanisms in a two-dimensional gas of electrons moving in a smooth disorder potential by accounting for both Rashba-type and Mott's skew scattering contributions. We find that the quantum interference effects between spin-flip and skew scattering give rise to anisotropic spin precession scattering (ASP), a direct spin-charge conversion mechanism that was discovered in an earlier study of graphene decorated with adatoms [Huang et al., Phys. Rev. B 94, 085414 (2016), 10.1103/PhysRevB.94.085414]. Our findings suggest that, together with other spin-charge conversion mechanisms such as the inverse galvanic effect, ASP is a fairly universal phenomenon that should be present in disordered two-dimensional systems lacking inversion symmetry.

  20. Band resolution of optical spectra of solvated electrons in water, alcohols, and tetrahydrofuran

    International Nuclear Information System (INIS)

    Jou, F.-Y.; Freeman, G.R.

    1979-01-01

    The optical absorption spectra of solvated electrons in water, alcohols, and tetrahydrofuran are empirically resolved into two Gaussian bands and a continuum tail. The first Gaussian band covers most of the low energy side of the spectrum. The second Gaussian band lies at an energy slightly above that of the absorption maximum of the total spectrum. With the exception of tert-butyl alcohol, in water and alcohols the following were observed: (a) the first Gaussian bands have the same half-width, but the oscillator strength in water is about double that in an alcohol; (b) the second Gaussian bands have similar half-widths and oscillator strengths; (c) the continuum tails have similar half-widths, yet that in water possesses only about one third as much oscillator strength as the one in alcohol. In tert-butyl alcohol and tetrahydrofuran the first Gaussian band and the continuum tail each carry nearly half of the total oscillator strength. (author)

  1. Vibrational and electronic spectra of 2-nitrobenzanthrone: An experimental and computational study

    Science.gov (United States)

    Onchoke, Kefa K.; Chaudhry, Saad N.; Ojeda, Jorge J.

    2016-01-01

    The environmental pollutant 2-nitrobenzanthrone (2-NBA) poses human health hazards, and is formed by atmospheric reactions of NOX gases with atmospheric particulates. Though its mutagenic effects have been studied in biological systems, its comprehensive spectroscopic experimental data are scarce. Thus, vibrational and optical spectroscopic analysis (UV-Vis, and fluorescence) of 2-NBA was studied using both experimental and density functional theory employing B3LYP method with 6-311 + G(d,p) basis set. The scaled theoretical vibrational frequencies show good agreement to experiment to within 5 cm- 1 and NBA, respectively. On the basis of normal coordinate analysis complete assignments of harmonic experimental infrared and Raman bands are made. The influence of the nitro group substitution upon the benzanthrone structure and symmetric CH vibrations, and electronic spectra is noted. This study is useful for the development of spectroscopy-mutagenicity relationships in nitrated polycyclic aromatic hydrocarbons.

  2. Electron spectra over discrete auroras as measured by the Substorm-GEOS rockets

    International Nuclear Information System (INIS)

    Sandahl, I.; Eliasson, L.; Lundin, R.

    1980-01-01

    Results from the first two Substorm-GEOS rockets are presented. These rockets, as well as the third one, were launched from ESRANGE on January 27, 1979 into different substorm phases. The first rocket went into an active pre-breakup evening arc and the second one into a breakup close to magnetic midnight. Electron spectra of downcoming particles measured by a narrow energy bandwidth detector show very narrow energy peaks as soon as the integral energy fluxes are high. These peaks always show populations of two different characteristic energies above the peak energy. One of the populations has properties similar to those found in the boundary layer plasma and the other one seems to be of plasma sheet origin. The plasma sheet like population is also seen where there are no signs of energy peaks, for example equatorward of the arc. The boundary layer plasma is exclusively connected with the signatures of acceleration. (Auth.)

  3. Raman spectra of MgB2 at high pressure and topological electronic transition

    International Nuclear Information System (INIS)

    Meletov, K.P.; Kulakov, M.P.; Kolesnikov, N.N.; Arvanitidis, J.; Kourouklis, G.A.

    2002-01-01

    Raman spectra of the MgB 2 ceramic samples were measured as a function of pressure up to 32 GPa at room temperature. The spectrum at normal conditions contains a very broad peak at ∼ 590 cm -1 related to the E 2g phonon mode. The frequency of this mode exhibits a strong linear dependence in the pressure region from 5 to 18 GPa, whereas beyond this region the slope of the pressure-induced frequency shift is reduced by about a factor of two. The pressure dependence of the phonon mode up to ∼ 5 GPa exhibits a change in the slope as well as a hysteresis effect in the frequency vs. pressure behavior. These singularities in the E 2g mode behavior under pressure support the suggestion that MgB 2 may undergo a pressure-induced topological electronic transition [ru

  4. Interpretation of electronic spectra of ruthenium nitroso complexes with N-heterocyclic ligands

    International Nuclear Information System (INIS)

    Sizova, O.V.; Ivanova, N.V.; Lyubimova, O.O.; Nikol'skij, A.B.

    2004-01-01

    Relaying on ab initio and semiempirical CINDO/CI calculations of free ligands L and complexes trans-[Ru(NO)(NH 3 ) 4 (L)] 3+ (L=pyridine, pyrazine, nicotinamide, l-histidine, imidazole), electronic absorption spectra of nitroso complexes with nitrogen-containing heterocyclic ligands L have been analyzed. Spectral manifestations of strong covalent bond Ru-NO was pointed out and the conclusion was made about advisability of presentation of Ru and NO oxidation states in grouping RuNO 3+ as Ru(III) and NO 0 . Introduction of nitroso group into inner coordination sphere of Ru(II) complexes with nitrogen-containing heterocyclic ligands results in essential rearrangement of the entire structure and deprives ligands L of their ability to manifest chromophore properties [ru

  5. Electronic Structures of Purple Bronze KMo6O17 Studied by X-Ray Photoemission Spectra

    Science.gov (United States)

    Qin, Xiaokui; Wei, Junyin; Shi, Jing; Tian, Mingliang; Chen, Hong; Tian, Decheng

    X-ray photoemission spectroscopy study has been performed for the purple bronze KMo6O17. The structures of conduction band and valence band are analogous to the results of ultraviolet photoemission spectra and are also consistent with the model of Travaglini et al., but the gap between conduction and valence band is insignificant. The shape of asymmetric and broadening line of O-1s is due to unresolved contributions from the many inequivalent oxygen sites in this crystal structure. Mo 3d core-level spectrum reveals that there are two kinds of valence states of Molybdenum (Mo+5 and Mo+6). The calculated average valence state is about +5.6, which is consistent with the expectation value from the composition of this material. The tail of Mo-3d spectrum toward higher binding energy is the consequence of the excitation of electron-hole pairs with singularity index of 0.21.

  6. Nightmare from which you will never awake: Electronic to vibrational spectra!

    Energy Technology Data Exchange (ETDEWEB)

    De Silva, Nuwon [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    The theoretical background of ab initio methods and density functional theory is provided. The anharmonicity associated with weakly bound metal cation dihydrogen complexes is examined using the vibrational self-consistent field (VSCF) method and the interaction between a hydrogen molecule and a metal cation is characterized. A study of molecular hydrogen clustering around the lithium cation and their accompanied vibrational anharmonicity employing VSCF is illustrated. A qualitative interpretation is provided of solvent-induced shifts of amides and simulated electronic absorption spectra using the combined time-dependent density functional theory/effective fragment potential method (TDDFT/EFP). An excited-state solvent assisted quadruple hydrogen atom transfer reaction of a coumarin derivative is elucidated using micro solvated quantum mechanical (QM) water and macro solvated EFP water. A dispersion correction to the QM-EFP1 interaction energy is presented.

  7. Tensor decompositions for the analysis of atomic resolution electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Spiegelberg, Jakob; Rusz, Ján [Department of Physics and Astronomy, Uppsala University, Box 516, S-751 20 Uppsala (Sweden); Pelckmans, Kristiaan [Department of Information Technology, Uppsala University, Box 337, S-751 05 Uppsala (Sweden)

    2017-04-15

    A selection of tensor decomposition techniques is presented for the detection of weak signals in electron energy loss spectroscopy (EELS) data. The focus of the analysis lies on the correct representation of the simulated spatial structure. An analysis scheme for EEL spectra combining two-dimensional and n-way decomposition methods is proposed. In particular, the performance of robust principal component analysis (ROBPCA), Tucker Decompositions using orthogonality constraints (Multilinear Singular Value Decomposition (MLSVD)) and Tucker decomposition without imposed constraints, canonical polyadic decomposition (CPD) and block term decompositions (BTD) on synthetic as well as experimental data is examined. - Highlights: • A scheme for compression and analysis of EELS or EDX data is proposed. • Several tensor decomposition techniques are presented for BSS on hyperspectral data. • Robust PCA and MLSVD are discussed for denoising of raw data.

  8. /sup 13/C NMR spectra and electron conduction in 4-substituted diphenylamines

    Energy Technology Data Exchange (ETDEWEB)

    Filimonov, V.D.; Kogan, R.M.; Tverdokhlebova, N.E.; Shcherbakov, V.V.; Kushnarev, D.F.; Kalabin, G.A.

    1986-07-10

    The /sup 13/C NMR spectra were recorded for a series of 4-X-diphenylamines, and correlations equations relating the /sup 13/C NMR chemical shifts of the C/sup 1/ and C/sup 4/ positions to the electronic characteristics of the substituent X were obtained. It was established that the conduction of the substituted ring in the 4-X-diphenylamines is practically the same as in 4-X-biphenyls. Joint analysis of the spectral characteristics of the diphenylamines, biphenyls, N-substituted anilines, and carbazoles made it possible to conclude that the increased transmission characteristics of the diphenylamines are determined by the conformational mobility of the two benzene rings and by the unidirectional effect of changes in the introduction and resonance factors with variation in the substituent X.

  9. High-effective position time spectrometer in actual measurements of low intensity region of electron spectra

    International Nuclear Information System (INIS)

    Babenkov, M.I.; Zhdanov, V.S.

    2002-01-01

    Magnetic position-time spectrometer was proposed in previous work, where not only electron coordinates in focal plane are measured by position sensitive detector (PSD) but places of their birth in beta source plane of a large area are fixed using another PSD, situated behind it, by quick effects, accompanying radioactive decay. PSD on the basis of macro-channel plates are used. It is succeeded in position-time spectrometer to combine beta sources of a large area with multichannel registration for a wide energy interval, that efficiency of measurements was two orders of magnitude increase d in comparison magnetic apparatus having PSD only in focal plane. Owing to two detectors' switching on coincidence the relation effect/background in increased minimum on two orders of magnitude in comparison with the same apparatus. At some complication of mathematical analysis it was obtained, that high characteristics of position-time spectrometer are kept during the use the magnetic field, providing double focusing. Owning to this focusing the gain the efficiency of measurements will make one more order of magnitude. Presented high-effective position-time spectrometer is supposed to use in the measurements of low-intensity region of electron spectra, which are important for development of fundamental physics. This is the first of all estimation of electron anti-neutrino mass by the form of beta spectrum of tritium in the region of boundary energy. Recently here there was problem of non physical negative values. This problem can be solved by using in measurement of different in principle high-effective spectrometers, which possess improved background properties. A position-time spectrometers belongs to these apparatus, which provides the best background conditions at very large effectiveness of the measurements of tritium beta spectrum in the region of boundary energy with acceptable high resolution. An important advantage of position-time spectrometer is the possibility of

  10. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  11. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    International Nuclear Information System (INIS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-01-01

    Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

  12. Direct measurement of electron beam quality conversion factors using water calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Renaud, James, E-mail: james.renaud@mail.mcgill.ca; Seuntjens, Jan [Medical Physics Unit, McGill University, Montréal, Québec H3G 1A4 (Canada); Sarfehnia, Arman [Medical Physics Unit, McGill University, Montréal, Québec H3G 1A4, Canada and Department of Radiation Oncology, University of Toronto, Toronto, Ontario M5S 3E2 (Canada); Marchant, Kristin [Allan Blair Cancer Centre, Saskatchewan Cancer Agency, Regina, Saskatchewan S4T 7T1, Canada and Department of Oncology, University of Saskatchewan, Saskatoon, Saskatchewan S7N 5A1 (Canada); McEwen, Malcolm; Ross, Carl [Ionizing Radiation Standards, National Research Council of Canada, Ottawa, Ontario K1A 0R6 (Canada)

    2015-11-15

    Purpose: In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. Methods: A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. Results: The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9–20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%–0.40%) and its influence on the perturbation correction (Type B, 0.10%–0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, k{sub ecal}, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM’s TG-51 protocol

  13. Direct measurement of electron beam quality conversion factors using water calorimetry.

    Science.gov (United States)

    Renaud, James; Sarfehnia, Arman; Marchant, Kristin; McEwen, Malcolm; Ross, Carl; Seuntjens, Jan

    2015-11-01

    In this work, the authors describe an electron sealed water calorimeter (ESWcal) designed to directly measure absorbed dose to water in clinical electron beams and its use to derive electron beam quality conversion factors for two ionization chamber types. A functioning calorimeter prototype was constructed in-house and used to obtain reproducible measurements in clinical accelerator-based 6, 9, 12, 16, and 20 MeV electron beams. Corrections for the radiation field perturbation due to the presence of the glass calorimeter vessel were calculated using Monte Carlo (MC) simulations. The conductive heat transfer due to dose gradients and nonwater materials was also accounted for using a commercial finite element method software package. The relative combined standard uncertainty on the ESWcal dose was estimated to be 0.50% for the 9-20 MeV beams and 1.00% for the 6 MeV beam, demonstrating that the development of a water calorimeter-based standard for electron beams over such a wide range of clinically relevant energies is feasible. The largest contributor to the uncertainty was the positioning (Type A, 0.10%-0.40%) and its influence on the perturbation correction (Type B, 0.10%-0.60%). As a preliminary validation, measurements performed with the ESWcal in a 6 MV photon beam were directly compared to results derived from the National Research Council of Canada (NRC) photon beam standard water calorimeter. These two independent devices were shown to agree well within the 0.43% combined relative uncertainty of the ESWcal for this beam type and quality. Absorbed dose electron beam quality conversion factors were measured using the ESWcal for the Exradin A12 and PTW Roos ionization chambers. The photon-electron conversion factor, kecal, for the A12 was also experimentally determined. Nonstatistically significant differences of up to 0.7% were found when compared to the calculation-based factors listed in the AAPM's TG-51 protocol. General agreement between the relative

  14. Personal dose equivalent conversion coefficients for electrons to 1 Ge V.

    Science.gov (United States)

    Veinot, K G; Hertel, N E

    2012-04-01

    In a previous paper, conversion coefficients for the personal dose equivalent, H(p)(d), for photons were reported. This note reports values for electrons calculated using similar techniques. The personal dose equivalent is the quantity used to approximate the protection quantity effective dose when performing personal dosemeter calibrations and in practice the personal dose equivalent is determined using a 30×30×15 cm slab-type phantom. Conversion coefficients to 1 GeV have been calculated for H(p)(10), H(p)(3) and H(p)(0.07) in the recommended slab phantom. Although the conversion coefficients were determined for discrete incident energies, analytical fits of the conversion coefficients over the energy range are provided using a similar formulation as in the photon results previously reported. The conversion coefficients for the personal dose equivalent are compared with the appropriate protection quantity, calculated according to the recommendations of the latest International Commission on Radiological Protection guidance. Effects of eyewear on H(p)(3) are also discussed.

  15. Precision measurements of high-energy conversion electron lines and determination of neutron binding energies

    International Nuclear Information System (INIS)

    Braumandl, F.

    1979-01-01

    The paper first discusses the energy accuracy of the BILL conversion electron spectrometer at the Grenoble high flux reactor. With an improved temperature stabilisation of the magnets, an energy accuracy of ΔE/E -5 can be reached. After this, highly exact measurements of high-energy conversion electron lines of the 200 Hg, 114 Cd, 165 Dy, 168 Er, 239 U nuclei and the 13 C, 28 Al 3 H and 92 Zr photoelectron lines were carried out. Energy calibration of the spectrometer was carried out in the 1.5 MeV to 6.5 MeV range with intensive high-energy transitions of the 200 Hg nucleus. Systematic calibration errors could be investigated by means of combinations between the calibration lines. A calibration for absolute energies was obtained by comparing low-energy gamma transitions of 200 Hg with the 411.8 keV gold standard. (orig.) [de

  16. Monte Carlo Simulation of Complete X-Ray Spectra for Use in Scanning Electron Microscopy Analysis

    International Nuclear Information System (INIS)

    Roet, David; Van Espen, Piet

    2003-01-01

    Full Text: The interactions of keV electrons and photons with matter can be simulated accurately with the aid of the Monte Carlo (MC) technique. In scanning electron microscopy x-ray analysis (SEM-EDX) such simulations can be used to perform quantitative analysis using a Reverse Monte Carlo method even if the samples have irregular geometry. Alternatively the MC technique can generate spectra of standards for use in quantization with partial least squares regression. The feasibility of these alternatives to the more classical ZAF or phi-rho-Z quantification methods has been proven already. In order to be applicable for these purposes the MC-code needs to generate accurately only the characteristic K and L x-ray lines, but also the Bremsstrahlung continuum, i.e. the complete x-ray spectrum need to be simulated. Currently two types of MC simulation codes are available. Programs like Electron Flight Simulator and CASINO simulate characteristic x-rays due to electron interaction in a fast and efficient way but lack provision for the simulation of the continuum. On the other hand, programs like EGS4, MCNP4 and PENELOPE, originally developed for high energy (MeV- GeV) applications, are more complete but difficult to use and still slow, even on todays fastest computers. We therefore started the development of a dedicated MC simulation code for use in quantitative SEM-EDX work. The selection of the most appropriate cross section for the different interactions will be discussed and the results obtained will be compared with those obtained with existing MC programs. Examples of the application of MC simulations for quantitative analysis of samples with various composition will be given

  17. Corrosion study of heat exchanger tubes in pressurized water cooled nuclear reactors by conversion electron Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Homonnay, Z.; Kuzmann, E.; Varga, K.; Nemeth, Z.; Szabo, A.; Rado, K.; Schunk, J.; Tilky, P.; Patek, G.

    2005-01-01

    Nuclear energy production tends to return into the focus of interest because of the constantly increasing energy need of the world and the green house effect problems of the strongest competitor oil or gas based power plants. In addition to the construction of new nuclear power plants, lifetime extension of the existing ones is the most cost effective investment in the energy business. However, feasibility and safety issues become very important at this point, and corrosion of the construction materials should be carefully investigated before decision on a potential lifetime extension of a reactor. 57 Fe-Conversion Electron Moessbauer Spectroscopy (CEMS) is a sensitive tool to analyze the phase composition of corrosion products on the surface of stainless steel. The upper ∼300 nm can be investigated due to the penetration range of conversion electrons. The corrosion state of heat exchanger tubes from the four reactor units of the Paks Nuclear Power Plant, Hungary, were analyzed by several methods including CEMS. The primary circuit side of the tubes was studied on selected samples cut out from the heat exchangers during regular maintenance. Cr- and Ni-substituted magnetite, sometimes hematite, amorphous Fe-oxides/oxyhydroxides as well as the signal of bulk austenitic steel of the tubes were detected. The level of Cr- and Ni-substitution in the magnetite phase could be estimated from the Moessbauer spectra. Correlation between earlier decontamination cycles and the corrosion state of the heat exchangers was sought. In combination with other methods, a hybrid structure of the surface oxide layer of several microns was established. It is suggested that previous AP-CITROX decontamination cycles can be responsible for this structure which makes the oxide layer mobile. This mobility may be responsible for unwanted corrosion product transport into the reactor vessel by the primary coolant.

  18. COMET/PRISM Muon to Electron Conversion at J-PARC

    International Nuclear Information System (INIS)

    Hungerford, Ed V.

    2009-01-01

    A new experimental search for coherent, neutrinoless, muon-to-electron conversion from a muonic atom has been proposed for the Japanese Proton Accelerator, J-PARC, now under commissioning. The experiment is completing a conceptual design which proposes a single event sensitivity in the branching ratio of lepton number violating to lepton conserving decays of ≅0.26x10 -16 . This note briefly describes the experiment and its objectives.

  19. Opto-electronic conversion logic behaviour through dynamic modulation of electron/energy transfer states at the TiO2-carbon quantum dot interface.

    Science.gov (United States)

    Wang, Fang; Zhang, Yonglai; Liu, Yang; Wang, Xuefeng; Shen, Mingrong; Lee, Shuit-Tong; Kang, Zhenhui

    2013-03-07

    Here we show a bias-mediated electron/energy transfer process at the CQDs-TiO(2) interface for the dynamic modulation of opto-electronic properties. Different energy and electron transfer states have been observed in the CQDs-TNTs system due to the up-conversion photoluminescence and the electron donation/acceptance properties of the CQDs decorated on TNTs.

  20. Achievement of extreme resolution for the selective by depth Moessbauer method on conversion electrons

    International Nuclear Information System (INIS)

    Babenkov, M.I.; Zhdanov, V.S.; Ryzhikh, V.Yu.; Chubisov, M.A.

    2001-01-01

    At the Institute of Nuclear Physics of the National Nuclear Center of the Republic of Kazakhstan the depth selective conversion electrons Moessbauer spectroscopy (DSCEMS) method was realized on the facility designed on the magnet sector beta-spectrometer base with the dual focusing equipped with non-equipotential electron source in the multi-ribbon variant and the position-sensitive detector. In the work the model statistical calculations of energy and angular distributions experienced not so many times of inelastic scattering acts were carried out

  1. Preparation of {sup 114m}In low energy conversion electron sources

    Energy Technology Data Exchange (ETDEWEB)

    Wrede, C., E-mail: wrede@uw.ed [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Filippone, B.W. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Garcia, A.; Harper, G.C. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Lassell, S. [Department of Nuclear Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States); Liu, J. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Department of Physics, Shanghai Jiao Tong University, Shanghai 200240 (China); Mendenhall, M.P. [Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California 91125 (United States); Palmer, A.S.C. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Pattie, R.W. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States); Will, D.I. [Center for Experimental Nuclear Physics and Astrophysics, and Department of Physics, University of Washington, Seattle, WA 98195 (United States); Young, A.R. [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695 (United States)

    2011-05-15

    Highlights: {yields} Controlled ion implantation of In-113 into thin Al substrate. {yields} Production of In-114m (half life = 50 days) by neutron irradiation. {yields} Use of In-114m as a source of electron lines and continuum for calibrations. {yields} Source reactivation by short neutron irradiation. -- Abstract: The preparation of {sup 114m}In sources of conversion electrons in the energy range 162-190 keV and {beta} continuum with a 1989 keV endpoint via ion implantation of {sup 113}In into Al substrates and subsequent irradiation by thermal and epi-thermal neutrons in a nuclear reactor is described.

  2. Combined in-beam gamma-ray and conversion electron spectroscopy with radioactive ion beams

    Directory of Open Access Journals (Sweden)

    Konki J.

    2013-12-01

    Full Text Available In-beam gamma-ray and electron spectroscopy have been widely used as tools to study the broad variety of phenomena in nuclear structure. The SPEDE spectrometer is a new device to be used in conjunction with the MINIBALL germanium detector array to enable the detection of internal conversion electrons in coincidence with gamma rays from de-exciting nuclei in radioactive ion beam experiments at the upcoming HIE-ISOLDE facility at CERN, Switzerland. Geant4 simulations were carried out in order to optimise the design and segmentation of the silicon detector to achieve good energy resolution and performance.

  3. Preparation of 114mIn low energy conversion electron sources

    International Nuclear Information System (INIS)

    Wrede, C.; Filippone, B.W.; Garcia, A.; Harper, G.C.; Lassell, S.; Liu, J.; Mendenhall, M.P.; Palmer, A.S.C.; Pattie, R.W.; Will, D.I.; Young, A.R.

    2011-01-01

    Highlights: → Controlled ion implantation of In-113 into thin Al substrate. → Production of In-114m (half life = 50 days) by neutron irradiation. → Use of In-114m as a source of electron lines and continuum for calibrations. → Source reactivation by short neutron irradiation. -- Abstract: The preparation of 114m In sources of conversion electrons in the energy range 162-190 keV and β continuum with a 1989 keV endpoint via ion implantation of 113 In into Al substrates and subsequent irradiation by thermal and epi-thermal neutrons in a nuclear reactor is described.

  4. Energy Conversion Mechanism for Electron Perpendicular Energy in High Guide-Field Reconnection

    Science.gov (United States)

    Guo, Xuehan; Horiuchi, Ritoku; Kaminou, Yasuhiro; Cheng, Frank; Ono, Yasushi

    2016-10-01

    The energy conversion mechanism for electron perpendicular energy, both the thermal and the kinetic energy, is investigated by means of two-dimensional, full-particle simulations in an open system. It is shown that electron perpendicular heating is mainly due to the breaking of magnetic moment conservation in separatrix region because the charge separation generates intense variation of electric field within the electron Larmor radius. Meanwhile, electron perpendicular acceleration takes place manly due to the polarization drift term as well as the curvature drift term of E . u⊥ in the downstream near the X-point. The enhanced electric field due to the charge separation there results in a significant effect of the polarization drift term on the dissipation of magnetic energy within the ion inertia length in the downstream. Japan Society for the Promotion of Science (JSPS) Fellows 15J03758.

  5. Thermoluminescence spectra of natural CaF2 irradiated by 10MeV electrons

    International Nuclear Information System (INIS)

    Manrique, J.; Angulo, S.; Pardo, M.P.; Gastesi, R.; De la Cruz, A.; Perez, A.

    2006-01-01

    The spectra of thermoluminescence from natural and electron-irradiated fluorite in the 350-800nm spectral range were studied between room temperature and 500 o C. The sample came from Asturias (Spain) and was analyzed by X-ray diffractometry and inductively coupled plasma-mass spectrometry. Glow peaks appeared at 115, 205 and 310 o C. Main emissions occurred at 475, 575, 650 and 745nm, attributed to the Dy +3 ion and, at 410nm, from electron-hole recombination. The fractional glow technique and the general order model were employed to study the emission at 575nm in detail. The results showed that the 115 and 205 o C glow peaks originate at traps with activation energies of 1.6 and 1.9eV, respectively, on the kinetic order of 1.5 and 1.3 and frequency factors of 1.7x10 19 and 2.7x10 19 s -1 , respectively. Spectrally resolved fading produced by storage was observed, and we concluded that the emission was due to large defect complexes. The dosimetric study showed that there was saturation at doses higher than 2kGy

  6. Differential flux measurement of atmospheric pion, muon, electron and positron energy spectra at balloon altitudes

    Energy Technology Data Exchange (ETDEWEB)

    Grimani, C.; Brunetti, M.T.; Codino, A. [Perugia Univ. (Italy)]|[INFN, Perugia (Italy); Papini, P.; Massimo Brancaccio, F.; Finetti, N. [Florence Univ. (Italy)]|[INFN, Florence (Italy); Stephens, S.A. [Tata Institute of Fundamental Researc, Bombay (International Commission on Radiation Units and Measurements); Basini, G.; Bongiorno, F. [INFN, Laboratori Nazionali di Frascati, Rome (Italy); Golden, R.L. [New Mexico State Univ. Las Cruces, NM (United States). Particle Astrophysics Lab.

    1995-09-01

    The fluxes of atmospheric electrons, positrons, positive and negative muons and negative pions have been determined using the NMSU Wizard-MASS2 balloons-borne instrument. The instrument was launched from Fort Sumner, New Mexico, (geomagnetic cut-off about 4.5 GV/c) on september 23, 1991. The flight lasted 9.8 hours and remained above 100.000 ft. Muons and negative pions were observed and their momenta were determined. Since these particles are not a part of the primary component, the measurement of their fluxes provides information regarding production and propagation of secondary particles in the atmosphere. Similarly, observations of electrons and positrons well below the geomagnetic cut-off provides insight into electromagnetic cascade processes in the upper atmosphere. In addition, the determination of the energy spectra of rare particles such as positrons can be used for background subtraction for cosmic ray experiments gathering data below a few g/cm{sup 2} of overlying atmosphere.

  7. Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

    Science.gov (United States)

    Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

    2017-01-01

    The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

  8. Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2

    Science.gov (United States)

    Caruso, Fabio; Verdi, Carla; Poncé, Samuel; Giustino, Feliciano

    2018-04-01

    We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

  9. Enhanced coupling of the fast wave to electrons through mode conversion to the ion hybrid wave

    International Nuclear Information System (INIS)

    Lashmore-Davies, C.N.; Fuchs, V.; Ram, A.K.; Bers, A.

    1996-07-01

    The mode conversion of the fast compressional Alfven wave to the ion hybrid wave is analyzed with particular reference to a plasma with two ion species present in approximately equal proportions. Two configurations are considered, the first referring to the usual resonance-cut-off case and the second to a cut-off-resonance-cut-off situation. The optimum conditions for maximising the mode converted energy are given. The second order fast wave equation is generalised to include the effect of the parallel electric field. Hence, all ion and electron loss mechanisms for the fast wave are incorporated, including mode conversion at the two-ion hybrid resonance. The significance of the approximate equality of the two ion species concentrations is that the mode converted ion hybrid wave is damped only by the electrons. The damping of the ion hybrid wave is described with the aid of the local dispersion relation and by means of a toroidal ray tracing code. In particular, the ray tracing calculation shows that the mode converted energy is totally absorbed by the electrons close to the two-ion hybrid resonance. The generalised fast wave equation is solved to determine how much energy is lost from the fast wave, incident from the low field side, before it encounters the two-ion hybrid resonance. For comparable concentrations of the two ion species, the mode converted power can be separated from the power directly absorbed by the ions and electrons from the fast wave. This allows the conditions to be ascertained under which strong electron heating through mode conversion dominates the direct dissipation of the fast wave. (UK)

  10. Interpretation of the Electron Paramagnetic Resonance Spectra of Copper(II)-Tyrosine Complex

    Science.gov (United States)

    Xu, Xiao-Hui; Kuang, Min-Quan

    2017-12-01

    The electron paramagnetic resonance (EPR) spectra of [Cu(l-tyrosine)2]n (CuA) were interpreted based on the fourth-order perturbation treatments where the contributions due to the local distortion, ligand orbit and spin-orbit coupling were included. The calculated band transitions d_{x^2} - y^2 to dxy (≈16412 cm-1) and d_{z^2} (≈14845 cm-1) agree well with the band analysis results (d_{x^2} - y^2 \\to d_{xy} ≈16410 and d_{x^2} - y^2 \\to d_{z^2} ≈14850 cm-1). The unresolved separations d_{x^2} - y^2 \\to d_{xz} and d_{x^2} - y^2 \\to d_{yz} in the absorption spectra were evaluated as 26283 and 26262 cm-1, respectively. For CuA, copper chromophores in 1,3-diaminorpropane isophtalate copper(II) complex (CuB) and N-methyl-1,2-diaminoetaane-bis copper(II) polymer (CuC), the transition d_{x^2} - y^2 \\to d_{xy} (=E1≈10Dq) suffered an increase with a decrease in R̅L which was evaluated as the mean value of the copper-ligand bond lengths. The correlations between the tetragonal elongation ratio ρ (=(Rz-R̅L)/R̅L) (or the ratio G=(gz-ge)/((gx+gy)/2-ge)) and the g isotropy gav (=(gx+gy+gz)/3) (or the covalency factor N) for CuA, CuB and CuC were acquired and all the results were discussed.

  11. Feasibility of conversion electron spectrometry using a Peltier-cooled silicon drift detector

    International Nuclear Information System (INIS)

    Perajarvi, K.; Turunen, J.; Ihantola, S.; Pollanen, R.; Siiskonen, T.; Toivonen, H.; Kamarainen, V.; Pomme, S.

    2014-01-01

    A Peltier-cooled silicon drift detector was successfully applied for conversion electron spectrometry. The energy resolution of the detector for 45 keV electrons was 0.50 keV (FWHM). The approximate thickness of the dead layer was determined to be 140 ± 20 nm Si equivalent. The relative efficiency of the detector was verified to be approximately constant in the energy range of 17-75 keV. This is concordant with the high transparency of the thin dead layer and the sufficient thickness of the detector (450 μm) to stop the electrons. The detector is suitable for use in plutonium analysis of chemically prepared samples. Moreover, it was demonstrated that conversion electron spectrometry is better than alpha spectrometry in preserving its capability to determine the 240 Pu/ 239 Pu isotopic ratio as a function of sample thickness. The investigated measurement technique can be considered a promising new tool in safeguards, complementary to existing methods. (author)

  12. Dose conversion coefficients for electron exposure of the human eye lens

    International Nuclear Information System (INIS)

    Behrens, R; Dietze, G; Zankl, M

    2009-01-01

    Recent epidemiological studies suggest a rather low dose threshold (below 0.5 Gy) for the induction of a cataract of the eye lens. Some other studies even assume that there is no threshold at all. Therefore, protection measures have to be optimized and current dose limits for the eye lens may be reduced in the future. Two questions arise from this situation: first, which dose quantity is related to the risk of developing a cataract, and second, which personal dose equivalent quantity is appropriate for monitoring this dose quantity. While the dose equivalent quantity H p (0.07) has often been seen as being sufficiently accurate for monitoring the dose to the lens of the eye, this would be questionable in the case when the dose limits were reduced and, thus, it may be necessary to generally use the dose equivalent quantity H p (3) for this purpose. The basis for a decision, however, must be the knowledge of accurate conversion coefficients from fluence to equivalent dose to the lens. This is especially important for low-penetrating radiation, for example, electrons. Formerly published values of conversion coefficients are based on quite simple models of the eye. In this paper, quite a sophisticated model of the eye including the inner structure of the lens was used for the calculations and precise conversion coefficients for electrons with energies between 0.2 MeV and 12 MeV, and for angles of radiation incidence between 0 deg. and 45 deg. are presented. Compared to the values adopted in 1996 by the International Commission on Radiological Protection (ICRP), the new values are up to 1000 times smaller for electron energies below 1 MeV, nearly equal at 1 MeV and above 4 MeV, and by a factor of 1.5 larger at about 1.5 MeV electron energy.

  13. Localized bulk electron heating with ICRF mode conversion in the JET tokamak

    DEFF Research Database (Denmark)

    Mantsinen, M.J.; Mayoral, M.-L.; Eester, D. Van

    2004-01-01

    of the He-3 ion cyclotron resonance layer in D and He-4 plasmas and subsequently damped on the bulk electrons. The resulting electron power deposition, measured using ICRF power modulation, is narrow with a typical full-width at half-maximum of approximate to30 cm (i.e. about 30% of the minor radius......) and the total deposited power to electrons comprises at least up to 80% of the applied ICRF power. The ICRF mode conversion power deposition has been kept constant using He-3 bleed throughout the ICRF phase with a typical duration of 4-6 s, i.e. 15-40 energy confinement times. Using waves propagating...

  14. Effect of relaxation and decay of a charge transfer shakeup satellite on Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of adsorbates

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2008-01-01

    An electron excited to an unoccupied part of adsorbate-substrate hybrid states in a chemisorbed molecule by a resonant core electron excitation or charge transfer (CT) shakeup may delocalize on time scale of core-hole decay so that the excited core-hole state relaxes partly or completely to a fully relaxed one. The Auger decay of the fully relaxed core-hole state via the relaxation of the excited one introduces an additional feature in the resonant Auger-electron spectroscopy (RAES) spectrum and the AES spectrum. However, the additional feature in the RAES spectrum is a normal AES spectrum by decay of the fully relaxed core-hole state, whereas the one in the AES spectrum is the AES spectrum by decay of the fully relaxed core-hole state broadened by the photoelectron spectroscopy (PES) CT shakeup satellite weighted by the branching ratio of the relaxation width. The discrepancies between the AES spectrum measured at high above the ionization threshold and the additional feature in the RAES spectrum consist of the symmetric-like part by the decay of the fully relaxed core-hole state via the relaxation of the CT shakeup state and the asymmetric part by the direct decay of the shakeup states. The asymmetric part increases with a decrease in the hybridization strength. This explains the variation with the hybridization strength in the discrepancies between the RAES spectra and the AES spectra of chemisorbed molecules such as CO/Ni, CO/Cu and CO/Ag. A comparison of the singles PES spectrum with the one measured in coincidence with the AES main line of a selected kinetic energy (KE) provides the delocalization rate of the excited electron in the CT shakeup state as a function of photoelectron KE. The coincidence measurement to obtain the partial singles PES spectrum is discussed

  15. An electronic interface for acquisition of 12 delayed gamma-gammacoincidence spectra

    International Nuclear Information System (INIS)

    Domienikan, Claudio

    2001-01-01

    An electronic interface has been constructed to be used m conjunctionwith a Time differential Perturbed gamma-gamma Angular Correlation (TDPAC)spectrometer with four BaF 2 detectors. The routing interface is speciallydesigned to work with the Ortec model ADCAM 920-16 multichannel analyzer(MCA) having 16 multiplexed inputs, permitting the simultaneous acquisitionof 12 delayed gamma-gamma coincidence spectra. This innovation provides aconsiderable reduction in the experimental data acquisition time and as aconsequence permits an improvement in the precision of the final results ofthe hyperfine parameters deduced from the TDPAC measurements. The interfaceconsists of two distinct electronic circuits. A novel high performance analogdemultiplexer circuit is used to address the linear pulses from the time toamplitude converter (TAC) to the corresponding MCA inputs, according to thepair of detectors responsible for the given gamma-gamma coincidence.Validation of the gamma-gamma coincidence and control of the analogdemultiplexer are realized by a digital circuit, consisting basically ofmonostable multivibrators and decoders of High-Speed CMOS Logic (HCT). Theperformance of the routing interface was evaluated through several testmeasurements which included the time resolution and linearity of the system,the quadrupolar interaction in 181 Ta(Hf), 181 Ta(HfO 2 ), 111 Cd(Cd)and 111 Cd(Pd) samples, and the hyperfine magnetic field in 181 'Ta(Ni), 11 '1Cd(Ni) and 140 Ce(Gd) samples. The results of the hyperfineinteraction measurements are discussed and compared with previous results andserve to demonstrate the correct and efficient performance of the constructedinterface. (author)

  16. Classical electron ionization mass spectra in gas chromatography/mass spectrometry with supersonic molecular beams.

    Science.gov (United States)

    Gordin, Alexander; Fialkov, Alexander B; Amirav, Aviv

    2008-09-01

    A major benefit of gas chromatography/mass spectrometry (GC/MS) with a supersonic molecular beam (SMB) interface and its fly-through ion source is the ability to obtain electron ionization of vibrationally cold molecules (cold EI), which show enhanced molecular ions. However, GC/MS with an SMB also has the flexibility to perform 'classical EI' mode of operation which provides mass spectra to mimic those in commercial 70 eV electron ionization MS libraries. Classical EI in SMB is obtained through simple reduction of the helium make-up gas flow rate, which reduces the SMB cooling efficiency; hence the vibrational temperatures of the molecules are similar to those in traditional EI ion sources. In classical EI-SMB mode, the relative abundance of the molecular ion can be tuned and, as a result, excellent identification probabilities and very good matching factors to the NIST MS library are obtained. Classical EI-SMB with the fly-through dual cage ion source has analyte sensitivity similar to that of the standard EI ion source of a basic GC/MS system. The fly-through EI ion source in combination with the SMB interface can serve for cold EI, classical EI-SMB, and cluster chemical ionization (CCI) modes of operation, all easily exchangeable through a simple and quick change (not involving hardware). Furthermore, the fly-through ion source eliminates sample scattering from the walls of the ion source, and thus it offers full sample inertness, tailing-free operation, and no ion-molecule reaction interferences. It is also robust and enables increased column flow rate capability without affecting the sensitivity.

  17. Many-body effect in the resonant Ti L23-M23V Auger-electron spectroscopy spectra and Auger-photoelectron coincidence spectroscopy spectra of Ti oxides

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2007-01-01

    Recently Danger et al. [J. Danger, H. Magnan, D. Chandesris, P. Le Fevre, S. Bourgeois, J. Jupille, A. Verdini, R. Gotter, A. Morgante, Phys. Rev. B 64 (2001) 045110] and Le Fevre et al. [P. Le Fevre, J. Danger, H. Magnan, D. Chandesris, J. Jupille, S. Bourgeois, M.-A. Arrio, R. Gotter, A. Verdini, A. Morgante, Phys. Rev. B 69 (2004) 155421] showed the absence of resonant Raman scattering feature in the Ti L 23 -M 23 V resonant Auger-electron spectroscopy (RAES) spectra of Ti oxides measured across the Ti 2p edges. They attributed the absence to the covalent character of the Ti-O bond which allows an effective delocalization of 3d electrons. It is shown by a many-body theory that when the time scale of relaxation of the resonantly excited core-hole state to the fully relaxed core-hole state is much shorter than that of core-hole decay, any sizeable Raman scattering is absent in the RAES spectra measured across the Ti 2p edges. The relaxation width depends on the hybridization strength and the charge transfer (CT) energy between the two states. The L 2 -L 3 V Coster-Kronig (CK) decay widths of TiO 2 and TiO 2-x are determined from the L 23 -M 23 V Auger-photoelectron coincidence spectroscopy (APECS) spectra reported in the aforementioned papers. They are about 0.18 and 0.35 eV, respectively. The CK-decay width in the reduced Ti oxide increases compared to that of TiO 2 in rutile because of filling of the 3d states just below the Fermi level in the former

  18. Electron correlation effects in the (e,2e) valence separation energy spectra of krypton

    International Nuclear Information System (INIS)

    Fuss, I.; Glass, R.; McCarthy, I.E.; Minchinton, A.; Weigold, E.

    1981-04-01

    Separation energy spectra and momentum distributions for the valence orbitals of krypton have been obtained at a total electron energy of 1200eV using (e,2e) spectroscopy with symmetric kinematics. The spectroscopic strength of the 4s orbital is found to be significantly split among ion states ranging into the continuum, whereas the spectroscopic strength of the 4p ground state transition is found to be essentially unity. The momentum distributions for the 4p -1 and 4s -1 transitions are well described by the corresponding Hartree-Fock ground state orbital momentum distributions. A number of configuration interaction calculations using predominantly the 4s4p 6 and 4s 2 4p 4 4d ( 2 Ssub(1/2)) configurations, have been carried out for the main 4s - 1 ion eigenstates. The results, although confirming severe splitting of the 4s -1 spectroscopic strength, over-estimate the 4s4p 6 component of the lowest 2 S level in the ion. The data provides a sensitive test of the variational determination of the parameters of pseudostates representing configurations not treated explicitly

  19. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  20. Study of post-collision effect on autoionisation electron spectra in He+-He collision

    International Nuclear Information System (INIS)

    Ioannis, K.

    1981-11-01

    Energy spectra of electrons ejected by autoionisation of the helium atom have been measured at low collision energy (3-20 keV) in the He + -He collision system. Perturbations of the line shapes due to the Coulomb field of the spectator ion are studied. Our results are compared with the semi classical model of MORGENSTERN et al. Only for small (or great) emission angles relative phases as well as moduli of transition amplitudes towards the Msub(L)=0 sublevel of the 2p 2 1 D and 2s2p 1 P states are deduced. Near the 2s 2 1 S line, strong discrepancies with the model are observed (at thetasub(Lab)=11 0 ) which are attributed to a contribution of autoionisation in the quasimolecule. Angular distributions have also been measured which seem to be not perturbed by the Coulomb field. An unexplained oscillatory behaviour of the singly differential cross section, when plotted against the collision energy has also been observed [fr

  1. A Si IV/O IV Electron Density Diagnostic for the Analysis of IRIS Solar Spectra

    Science.gov (United States)

    Young, P. R.; Keenan, F. P.; Milligan, R. O.; Peter, H.

    2018-04-01

    Solar spectra of ultraviolet bursts and flare ribbons from the Interface Region Imaging Spectrograph (IRIS) have suggested high electron densities of > {10}12 cm‑3 at transition region temperatures of 0.1 MK, based on large intensity ratios of Si IV λ1402.77 to O IV λ1401.16. In this work, a rare observation of the weak O IV λ1343.51 line is reported from an X-class flare that peaked at 21:41 UT on 2014 October 24. This line is used to develop a theoretical prediction of the Si IV λ1402.77 to O IV λ1401.16 ratio as a function of density that is recommended to be used in the high-density regime. The method makes use of new pressure-dependent ionization fractions that take account of the suppression of dielectronic recombination at high densities. It is applied to two sequences of flare kernel observations from the October 24 flare. The first shows densities that vary between 3× {10}12 and 3× {10}13 cm‑3 over a seven-minute period, while the second location shows stable density values of around 2× {10}12 cm‑3 over a three-minute period.

  2. The radiation-induced topotactic conversion of di-para anthracene to anthracene: an electron microscopic study

    International Nuclear Information System (INIS)

    Parkinson, G.M.; Goringe, M.J.; Thomas, J.M.

    1977-01-01

    A study was made of single crystals of di-para anthracene, the product of photodimerisation of anthracene. This undergoes an electron-induced topotactic conversion to anthracene, and the study of this reaction using low temperature TEM enabled the identification of separate stages in the conversion and the elucidation of probable mechanistic routes. (author)

  3. Non-equilibrium ionization by a periodic electron beam. II. Synthetic Si IV and O IV transition region spectra

    Science.gov (United States)

    Dzifčáková, Elena; Dudík, Jaroslav

    2018-03-01

    Context. Transition region (TR) spectra typically show the Si IV 1402.8 Å line to be enhanced by a factor of 5 or more compared to the neighboring O IV 1401.2 Å, contrary to predictions of ionization equilibrium models and the Maxwellian distribution of particle energies. Non-equilibrium effects in TR spectra are therefore expected. Aims: To investigate the combination of non-equilibrium ionization and high-energy particles, we apply the model of the periodic electron beam, represented by a κ-distribution that recurs at periods of several seconds, to plasma at chromospheric temperatures of 104 K. This simple model can approximate a burst of energy release involving accelerated particles. Methods: Instantaneous time-dependent charge states of silicon and oxygen were calculated and used to synthesize the instantaneous and period-averaged spectra of Si IV and O IV. Results: The electron beam drives the plasma out of equilibrium. At electron densities of Ne = 1010 cm-3, the plasma is out of ionization equilibrium at all times in all cases we considered, while for a higher density of Ne = 1011 cm-3, ionization equilibrium can be reached toward the end of each period, depending on the conditions. In turn, the character of the period-averaged synthetic spectra also depends on the properties of the beam. While the case of κ = 2 results in spectra with strong or even dominant O IV, higher values of κ can approximate a range of observed TR spectra. Spectra similar to typically observed spectra, with the Si IV 1402.8 Å line about a factor 5 higher than O IV 1401.2 Å, are obtained for κ = 3. An even higher value of κ = 5 results in spectra that are exclusively dominated by Si IV, with negligible O IV emission. This is a possible interpretation of the TR spectra of UV (Ellerman) bursts, although an interpretation that requires a density that is 1-3 orders of magnitude lower than for equilibrium estimates. Movies associated to Fig. A.1 are available at http://https://www.aanda.org

  4. Electronic and oscillation absorption spectra of blood plamsa at surgical diseases of thyroid gland

    Science.gov (United States)

    Guminetskiy, S. G.; Motrich, A. V.; Poliansky, I. Y.; Hyrla, Ya. V.

    2012-01-01

    The results of investigating the absorption spectra of blood plasma in the visible and infrared parts of spectra obtained using the techniques of spherical photometer and spectrophotometric complex "Specord IR75" are presented. The possibility of using these spectra for diagnoses the cases of diffuse toxic goiter and nodular goiter and control of treatment process in postsurgical period in the cases of thyroid gland surgery is estimated.

  5. Fermi liquid character in the photoemission/inverse photoemission spectra of highly correlated electron systems

    International Nuclear Information System (INIS)

    Riseborough, P.S.

    1990-01-01

    We calculate the photoemission/inverse photoemission spectrum for an N-fold degenerate Hubbard model, in the 1/N approximation. The spectra are broadened, and for sufficiently large Coulomb interaction strengths the spectra show satellites both in the photoemission and the brehmstrahlung isochromat spectroscopy portions of the spectra. The intensity of the spectra at the fermi level are equal to the noninteracting values, in accordance with Luttinger's theorem. We show that this can result in a temperature-dependent peak at the Fermi level; the width of the peak is governed by the quasi-particle lifetime. We relate the temperature dependent peak to the Fermi-liquid properties

  6. The electronic spectra of FeH and TeO2

    International Nuclear Information System (INIS)

    Hullah, D.F.

    1999-01-01

    A thesis submitted for the degree of Doctor of Philosophy at the University of Oxford. Daniel Fearnley Hullah, Jesus College, Trinity Term 1999. This thesis is presented in two parts. The subject of Part One is the recording and analysis of part of the electronic spectrum of the iron monohydride, FeH, at visible wavelengths with Doppler-limited resolution. The subject of Part Two is the recording and analysis of the electronic spectrum of tellurium dioxide, TeO 2 , at near ultra-violet wavelengths under free jet expansion conditions. PART ONE: The fourth sub-bands of the e 6 Π-c 6 Σ + and e 6 Π-a 6 Δ transitions of FeH were recorded using both direct laser induced fluorescence and dispersed laser induced fluorescence. A total of sixteen lines were assigned to the e 6 Π 1/2 -c 6 Σ + -1/2 transition and fourteen lines were assigned to the e 6 Π 1/2 -a 6 Δ 3/2 transition. This allowed the e 6 Π 1/2 spin-orbit component to be characterised for J levels from 1/2 to 7/2 and the a 6 Δ 3/2 spin-orbit component to be characterised for J levels from 3/2 to 9/2. The first sub-band of the e 6 Π-a 6 Δ transition was extended following analysis of the high temperature spectrum of McCormack and O'Connor (recorded in 1976). Dispersed fluorescence spectra of the first four sub-bands of the e 6 Π-a 6 Δ transition were recorded. Following analysis, transitions at ∼ 600 nm were recorded using direct laser induced fluorescence. These were assigned to transitions from the first three spin-orbit components of a new sextet electronic state, b 6 Π (e 6 Π-b 6 Π), one spin orbit component of a new quartet state, C 4 Φ 7/2 , (e 6 Π 5/2 -C 4 Φ 7/2 ), and the previously observed X 4 Δ 7/2 υ = 2 state (e 6 Π 7/2 -X 4 Δ 7/2 υ = 2). PART TWO: The electronic spectrum of TeO 2 was recorded between 345 and 406 nm using a pulsed dye laser. TeO 2 (g) was produced by heating TeO 2(s) to 850 deg. C and entraining the vapour in argon and expanding the gases in a continuous free

  7. A New Cost-Effective Multi-Drive Solution based on a Two-Stage Direct Power Electronic Conversion Topology

    DEFF Research Database (Denmark)

    Klumpner, Christian; Blaabjerg, Frede

    2002-01-01

    of a protection circuit involving twelve diodes with full voltage/current ratings used only during faulty situations, makes this topology not so attractive. Lately, two stage Direct Power Electronic Conversion (DPEC) topologies have been proposed, providing similar functionality as a matrix converter but allowing...... shared by many loads, making this topology more cost effective. The functionality of the proposed two-stage multi-drive direct power electronic conversion topology is validated by experiments on a realistic laboratory prototype....

  8. Conversion electron Moessbauer spectroscopy of plasma immersion ion implanted H13 tool steel

    International Nuclear Information System (INIS)

    Terwagne, G.; Hutchings, R.

    1994-01-01

    Conversion electron Moessbauer spectroscopy (CEMS) has been used to investigate nitride formation in AISI-H13 tool steel after treatment by plasma immersion ion implantation (PI 3 ) at 350 C. With only slight variation in the plasma conditions, it is possible to influence the kinetics of nitride precipitation so as to obtain nitrogen concentrations that range from those associated with ε-Fe 2 N through ε-Fe 3 N to γ'-Fe 4 N. The CEMS results enable a more definite identification of the nitrides than that obtained by glancing-angle X-ray diffraction and nuclear reaction analysis alone. (orig.)

  9. Conversion electron Mössbauer spectroscopy of plasma immersion ion implanted H13 tool steel

    Science.gov (United States)

    Terwagne, G.; Collins, G. A.; Hutchings, R.

    1994-12-01

    Conversion electron Mössbauer spectroscopy (CEMS) has been used to investigate nitride formation in AISI-H13 tool steel after treatment by plasma immersion ion implantation (PI3) at 350 °C. With only slight variation in the plasma conditions, it is possible to influence the kinetics of nitride precipitation so as to obtain nitrogen concentrations that range from those associated with ɛ-Fe2N through ɛ-Fe3N to γ'-Fe4N. The CEMS results enable a more definite identification of the nitrides than that obtained by glancing-angle X-ray diffraction and nuclear reaction analysis alone.

  10. Conversion electron Moessbauer and XPS study on the effect of polishing of a stainless steel sample

    International Nuclear Information System (INIS)

    Vertes, Cs.; Kuzmann, E.; Lakatos-Varsanyi, M.; Vertes, A.; Vass, G.; Romhanyi, K.

    1994-01-01

    Conversion electron Moessbauer spectroscopy (CEMS) and XPS has been used for the surface analysis of an 'X10CrNiTi 18/9 (DIN 1.7440)'-type stainless steel in order to determine the supposed structural and/or chemical changes in the surface layer caused by polishing. Both, CEMS and XPS results can be associated with the appearance of Fe nitride in the outer layer of steel samples after polishing, while no sing of nitrogen was detected in the bulk material. (author) 9 refs.; 3 figs.; 1 tab

  11. SU-E-T-432: Field Size Influence On the Electron and Photon Spectra Within Small MV Field Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Benmakhlouf, H; Andreo, P [Department of Medical Physics, Karolinska University Hospital, Stockholm and Department of Physics, Medical Radiation Physics, Stockholm University (Sweden)

    2015-06-15

    Purpose: To investigate the influence of photon field size on the electron and photon fluence spectra in the active volume of small field detectors. Methods: The PENELOPE MC system based usercode PenEasy was used to calculate the material influence on the spectra by scoring the differential fluence in inserts of silicon, carbon, phosphorus and aluminium having 3 mm diameter and height. The spectra were then calculated inside the active volume of eleven detectors (ion chambers and solid-state detectors) whose geometry was simulated with great detail. The inserts/detectors were placed at 10 cm depth in a 30 cm x 30 cm x 30 cm water phantom and irradiated with 2.5 MeV photons and Varian Clinac 6 MV beams of small, medium and large size. Results: For all configurations, photon spectra in the scoring volume were similar to that in a small water volume except for additional characteristic x-ray peaks resulting from the material itself and from the materials surrounding the detectors (i.e. high-Z shielding the silicon). Electron fluence calculated in the inserts were up to 60% larger than in water; the difference increased with material density and decreasing field size. MC-calculated doses were compared to analytically determined collision kerma and restricted cema (cut-off=15keV). For the inserts, with large and medium fields K-col agreed with MC-dose, but K-col overestimated the dose for small fields due to lack of lateral CPE. For the detectors, up to 15% differences between K-col and the MC-dose were found. For all configurations the C-delta and MC-dose agreed within ±2%. Conclusion: The most relevant findings were that shielding affects substantially the photon spectra and material conditions the electron spectra, their field size dependence varying with the geometry configuration. These affect the values of factors entering into relative dosimetry.

  12. Electron beam induced cationic polymerization of epoxy resins. Dependence of Tg on conversion

    International Nuclear Information System (INIS)

    Degrand, H.; Cazaux, F.; Coqueret, X.

    2002-01-01

    Complete text of publication follows. The high-energy radiation curing of monomer blends polymerizing by a free radical or by a cationic mechanism receives increasing attention in the perspective of high performance composite materials. In the present work, we have focused our attention on epoxy formulations as models of the matrices polymerizing by a cationic mechanism that could be used in fiber-reinforced composites for aerospace applications. We have examined the progress of the electron beam (EB) induced polymerization of diglycidylether of bisphenol A (DGEBA) in the presence of a diaryliodonium salt (DAIS) by FTIR spectroscopy and by dynamic mechanical thermal analysis (DMA). The obtained results allow to draw the gradual increase of the temperature for the network thermomechanical transition (T a , associated with the glass transition temperature T g ) over a broad range of conversion (p) and reveal a peculiar behavior at high conversion. In this domain (p > 0.90), the material's T g is shown to decrease when conversion approaches unity. Moreover, the post-irradiation thermal treatment of the materials, that generally yields effective 'dark curing', appears to induce a decrease of T g , with an amplitude correlated with the amount of DAIS in the formulation. Owing to the particular nature of the propagating centers in cationic polymerisation, the thermal relaxation of ionic clusters trapped in the glassy matrix can be reasonably invoked as a possible cause for this behavior

  13. Non-equilibrium ionization by a periodic electron beam. I. Synthetic coronal spectra and implications for interpretation of observations

    Science.gov (United States)

    Dzifčáková, E.; Dudík, J.; Mackovjak, Š.

    2016-05-01

    Context. Coronal heating is currently thought to proceed via the mechanism of nanoflares, small-scale and possibly recurring heating events that release magnetic energy. Aims: We investigate the effects of a periodic high-energy electron beam on the synthetic spectra of coronal Fe ions. Methods: Initially, the coronal plasma is assumed to be Maxwellian with a temperature of 1 MK. The high-energy beam, described by a κ-distribution, is then switched on every period P for the duration of P/ 2. The periods are on the order of several tens of seconds, similar to exposure times or cadences of space-borne spectrometers. Ionization, recombination, and excitation rates for the respective distributions are used to calculate the resulting non-equilibrium ionization state of Fe and the instantaneous and period-averaged synthetic spectra. Results: Under the presence of the periodic electron beam, the plasma is out of ionization equilibrium at all times. The resulting spectra averaged over one period are almost always multithermal if interpreted in terms of ionization equilibrium for either a Maxwellian or a κ-distribution. Exceptions occur, however; the EM-loci curves appear to have a nearly isothermal crossing-point for some values of κs. The instantaneous spectra show fast changes in intensities of some lines, especially those formed outside of the peak of the respective EM(T) distributions if the ionization equilibrium is assumed. Movies 1-5 are available in electronic form at http://www.aanda.org

  14. The conversion to electronic hospital notes at Mayo Clinic. Overcoming barriers and challenges.

    Science.gov (United States)

    Andreen, Debra L; Dobie, Linda J; Jasperson, Jan C; Lucas, Thomas A; Wubbenhorst, Cathryn L

    2010-01-01

    This article describes the conversion to electronic hospital notes at a large, multi-specialty group practice: Mayo Clinic in Rochester, Minnesota. Because of the size of the institution and the barriers to the adoption of electronic notes, the process was a gradual one that took several years. Making a convincing case for change to institutional leaders and maintaining their support was crucial to success. Equally vital was the careful investigation of user requirements and the development of software features that allowed providers to complete their notes quickly in the fast-paced hospital environment. Care providers discovered the value of having immediate access to legible hospital notes throughout the campus and from remote locations.

  15. Electronic structure and intersubband magnetoabsorption spectra of CdSe/CdS core-shell nanowires

    Science.gov (United States)

    Xiong, Wen

    2016-10-01

    The electronic structures of CdSe/CdS core-shell nanowires are calculated based on the effective-mass theory, and it is found that the hole states in CdSe/CdS core-shell nanowires are strongly mixed, which are very different from the hole states in CdSe or CdS nanowires. In addition, we find the three highest hole states at the Γ point are almost localized in the CdSe core and the energies of the hole states in CdSe/CdS core-shell nanowires can be enhanced greatly when the core radius Rc increases and the total radius R is fixed. The degenerate hole states are split by the magnetic field, and the split energies will increase when |Jh | increases from 1/2 to 7/2, while they are almost not influenced by the change of the core radius Rc. The absorption spectra of CdSe/CdS core-shell nanowires at the Γ point are also studied in the magnetic field when the temperature T is considered, and we find there are only two peaks will arise if the core radius Rc and the temperature T increase. The intensity of each optical absorption can be considerably enhanced by increasing the core radius Rc when the temperature T is fixed, it is due to the increase of their optical transition matrix element. Meanwhile, the intensity of each optical absorption can be decreased when the temperature T increases and the core radius Rc is fixed, and this is because the Fermi-Dirac distribution function of the corresponding hole states will increase as the increase of the temperature T.

  16. Electronic structure, photoemission spectra, and vacuum-ultraviolet optical spectra of CsPbCl3 and CsPbBr3

    Science.gov (United States)

    Heidrich, K.; Schäfer, W.; Schreiber, M.; Söchtig, J.; Trendel, G.; Treusch, J.; Grandke, T.; Stolz, H. J.

    1981-11-01

    Optical spectra of CsPbCl3 and CsPbBr3 have been measured in the range from 2 to 10 eV and have been combined with ultraviolet-photoemission-spectroscopy (UPS)-measurements at 21.1 and 40.8 eV. A quantitative band calculation is presented, which takes into account anion-anion interaction as well as electronic states of the Cs+ ion. The prominent features of earlier band models and measurements are reestablished through our measurements and calculations, namely that the valence band consists of anionic p functions and Pb 6s functions, the lowest conduction band being Pb 6p type, and the lowest gap occuring at the R point of the Brillouin zone. Inclusion of a further (Cs 6s-type) conduction band, however, is necessary to bring the calculated joint density of states into agreement with vacuum-ultraviolet optical spectra. The calculated densities of states of the valence bands are in quantitative agreement with those deduced from our UPS measurements.

  17. Observation of electron beam moiré fringes in an image conversion tube

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Yunfei; Liao, Yubo [Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education, Shenzhen University, Shenzhen 518060 (China); Long, Jing-hua [College of Physics Science and Technology, Shenzhen University, Shenzhen 518060 (China); Cai, Houzhi; Bai, Yanli [Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education, Shenzhen University, Shenzhen 518060 (China); Liu, Jinyuan, E-mail: ljy@szu.edu.cn [Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education, Shenzhen University, Shenzhen 518060 (China)

    2016-11-15

    An image conversion tube with a magnetic lens was designed to observe electron beam moiré fringes. Electron beam moiré fringes result from the interference between the photocathode and the anode meshes. The photocathode had a strip line structure with a spatial frequency of 10 L/mm. The anode mesh had a fixed spatial frequency of 10 L/mm, and could be rotated around the axis of the image tube. The changes to the fringe direction and the spacing as a function of the rotation angle between the photocathode and the anode mesh were examined. The experimental results agreed with the theoretical analysis. Moiré fringes with a modulation of ~20% were obtained using a 3 keV electron beam. - Highlights: • Observe the electron beam moiré fringes in large angle of view. • The changes to the fringe direction and the spacing as a function of the rotation angle between the two gratings were examined. • Modulations of the moiré fringes in different rotation angle are recorded.

  18. Observation of electron beam moiré fringes in an image conversion tube

    International Nuclear Information System (INIS)

    Lei, Yunfei; Liao, Yubo; Long, Jing-hua; Cai, Houzhi; Bai, Yanli; Liu, Jinyuan

    2016-01-01

    An image conversion tube with a magnetic lens was designed to observe electron beam moiré fringes. Electron beam moiré fringes result from the interference between the photocathode and the anode meshes. The photocathode had a strip line structure with a spatial frequency of 10 L/mm. The anode mesh had a fixed spatial frequency of 10 L/mm, and could be rotated around the axis of the image tube. The changes to the fringe direction and the spacing as a function of the rotation angle between the photocathode and the anode mesh were examined. The experimental results agreed with the theoretical analysis. Moiré fringes with a modulation of ~20% were obtained using a 3 keV electron beam. - Highlights: • Observe the electron beam moiré fringes in large angle of view. • The changes to the fringe direction and the spacing as a function of the rotation angle between the two gratings were examined. • Modulations of the moiré fringes in different rotation angle are recorded.

  19. Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

    International Nuclear Information System (INIS)

    Allan, M.; Regeta, K.; Gorfinkiel, J.D.; Masin, Z.; Grimme, S.; Bannwarth, C.

    2016-01-01

    The article briefly reviews three subjects recently investigated in Fribourg: 1) electron collisions with surfaces of ionic liquids, 2) two-dimensional (2D) electron energy loss spectra and 3) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds. (authors)

  20. iSpectra: An Open Source Toolbox For The Analysis of Spectral Images Recorded on Scanning Electron Microscopes.

    Science.gov (United States)

    Liebske, Christian

    2015-08-01

    iSpectra is an open source and system-independent toolbox for the analysis of spectral images (SIs) recorded on energy-dispersive spectroscopy (EDS) systems attached to scanning electron microscopes (SEMs). The aim of iSpectra is to assign pixels with similar spectral content to phases, accompanied by cumulative phase spectra with superior counting statistics for quantification. Pixel-to-phase assignment starts with a threshold-based pre-sorting of spectra to create groups of pixels with identical elemental budgets, similar to a method described by van Hoek (2014). Subsequent merging of groups and re-assignments of pixels using elemental or principle component histogram plots enables the user to generate chemically and texturally plausible phase maps. A variety of standard image processing algorithms can be applied to groups of pixels to optimize pixel-to-phase assignments, such as morphology operations to account for overlapping excitation volumes over pixels located at phase boundaries. iSpectra supports batch processing and allows pixel-to-phase assignments to be applied to an unlimited amount of SIs, thus enabling phase mapping of large area samples like petrographic thin sections.

  1. Conversion electron spectroscopy at the FMA focal plane: Decay studies of proton-rich N {approximately} 82 nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Nisius, D.; Janssens, R.V.F.; Ahmad, I. [and others

    1995-08-01

    The FMA has proven to be an ideal instrument for the detailed study of the decay of microsecond isomers behind the focal plane following mass selection. In reactions leading to the population of nuclei with isomeric lifetimes longer than their flight time through the device, decay gamma rays and conversion electrons can be detected in an environment free from the backgrounds of prompt radiation and delta electrons. This was a very successful technique to study proton (h{sub 11/2}){sup n} seniority isomers in nuclei with Z > 64 and N {approximately} 82. Since isomeric decay gamma rays are emitted isotropically, conversion electrons are essential for the assignment of multipolarities in these nuclei. Furthermore, the low-energy transitions that depopulate isomeric states are typically highly converted and can escape gamma-ray detection, but they can be identified by their conversion electrons.

  2. Selective detection of Fe and Mn species at mineral surfaces in weathered granite by conversion electron yield X-ray absorption fine structure

    International Nuclear Information System (INIS)

    Itai, Takaaki; Takahashi, Yoshio; Uruga, Tomoya; Tanida, Hajime; Iida, Atsuo

    2008-01-01

    A new method for the speciation of Fe and Mn at mineral surfaces is proposed using X-ray absorption fine structure in conversion electron yield mode (CEY-XAFS). This method generally reflects information on the species at the sub-μm scale from the particle surface due to the limited escape depth of the inelastic Auger electron. The surface sensitivity of this method was assessed by experiments on two samples of granite showing different degrees of weathering. The XANES spectra of the Fe-K and Mn-K edge clearly gave different information for CEY and fluorescence (FL) modes. These XANES spectra of Fe and Mn show a good fit upon application of least-squares fitting using ferrihydrite/MnO 2 and biotite as the end members. The XANES spectra collected by CEY mode provided more selective information on the secondary phases which are probably present at the mineral surfaces. In particular, CEY-XANES spectra of Mn indicated the presence of Mn oxide in unweathered granite despite a very small contribution of Mn oxide being indicated by FL-XANES and selective chemical-extraction analyses. Manganese oxide could not be detected by micro-beam XANES (beam size: 5 x 5 μm 2 ) in unweathered granite, suggesting that Mn oxide thinly and ubiquitously coats mineral surface at a sub-μm scale. This information is important, since Mn oxide can be the host for various trace elements. CEY-XAFS can prove to be a powerful tool as a highly sensitive surface speciation method. Combination of CEY and FL-XAFS will help identify minor phases that form at mineral surfaces, but identification of Fe and Mn oxides at mineral surfaces is critical to understand the migration of trace elements in water-rock interaction

  3. Selective detection of Fe and Mn species at mineral surfaces in weathered granite by conversion electron yield X-ray absorption fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Itai, Takaaki [Department of Earth and Planetary Systems Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526 (Japan)], E-mail: itai-epss@hiroshima-u.ac.jp; Takahashi, Yoshio [Department of Earth and Planetary Systems Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526 (Japan); Uruga, Tomoya; Tanida, Hajime [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Iida, Atsuo [Photon Factory, National Laboratory for High Energy Physics, O-ho, Tsukuba, Ibaraki 305 (Japan)

    2008-09-15

    A new method for the speciation of Fe and Mn at mineral surfaces is proposed using X-ray absorption fine structure in conversion electron yield mode (CEY-XAFS). This method generally reflects information on the species at the sub-{mu}m scale from the particle surface due to the limited escape depth of the inelastic Auger electron. The surface sensitivity of this method was assessed by experiments on two samples of granite showing different degrees of weathering. The XANES spectra of the Fe-K and Mn-K edge clearly gave different information for CEY and fluorescence (FL) modes. These XANES spectra of Fe and Mn show a good fit upon application of least-squares fitting using ferrihydrite/MnO{sub 2} and biotite as the end members. The XANES spectra collected by CEY mode provided more selective information on the secondary phases which are probably present at the mineral surfaces. In particular, CEY-XANES spectra of Mn indicated the presence of Mn oxide in unweathered granite despite a very small contribution of Mn oxide being indicated by FL-XANES and selective chemical-extraction analyses. Manganese oxide could not be detected by micro-beam XANES (beam size: 5 x 5 {mu}m{sup 2}) in unweathered granite, suggesting that Mn oxide thinly and ubiquitously coats mineral surface at a sub-{mu}m scale. This information is important, since Mn oxide can be the host for various trace elements. CEY-XAFS can prove to be a powerful tool as a highly sensitive surface speciation method. Combination of CEY and FL-XAFS will help identify minor phases that form at mineral surfaces, but identification of Fe and Mn oxides at mineral surfaces is critical to understand the migration of trace elements in water-rock interaction.

  4. Monte Carlo calculations of electron beam quality conversion factors for several ion chamber types

    Energy Technology Data Exchange (ETDEWEB)

    Muir, B. R., E-mail: Bryan.Muir@nrc-cnrc.gc.ca [Measurement Science and Standards, National Research Council Canada, 1200 Montreal Road, Ottawa, Ontario K1A 0R6 (Canada); Rogers, D. W. O., E-mail: drogers@physics.carleton.ca [Carleton Laboratory for Radiotherapy Physics, Physics Department, Carleton University, 1125 ColonelBy Drive, Ottawa, Ontario K1S 5B6 (Canada)

    2014-11-01

    Purpose: To provide a comprehensive investigation of electron beam reference dosimetry using Monte Carlo simulations of the response of 10 plane-parallel and 18 cylindrical ion chamber types. Specific emphasis is placed on the determination of the optimal shift of the chambers’ effective point of measurement (EPOM) and beam quality conversion factors. Methods: The EGSnrc system is used for calculations of the absorbed dose to gas in ion chamber models and the absorbed dose to water as a function of depth in a water phantom on which cobalt-60 and several electron beam source models are incident. The optimal EPOM shifts of the ion chambers are determined by comparing calculations of R{sub 50} converted from I{sub 50} (calculated using ion chamber simulations in phantom) to R{sub 50} calculated using simulations of the absorbed dose to water vs depth in water. Beam quality conversion factors are determined as the calculated ratio of the absorbed dose to water to the absorbed dose to air in the ion chamber at the reference depth in a cobalt-60 beam to that in electron beams. Results: For most plane-parallel chambers, the optimal EPOM shift is inside of the active cavity but different from the shift determined with water-equivalent scaling of the front window of the chamber. These optimal shifts for plane-parallel chambers also reduce the scatter of beam quality conversion factors, k{sub Q}, as a function of R{sub 50}. The optimal shift of cylindrical chambers is found to be less than the 0.5 r{sub cav} recommended by current dosimetry protocols. In most cases, the values of the optimal shift are close to 0.3 r{sub cav}. Values of k{sub ecal} are calculated and compared to those from the TG-51 protocol and differences are explained using accurate individual correction factors for a subset of ion chambers investigated. High-precision fits to beam quality conversion factors normalized to unity in a beam with R{sub 50} = 7.5 cm (k{sub Q}{sup ′}) are provided. These

  5. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals

    Science.gov (United States)

    Hartmann, S. R.; Happer, W.

    1974-01-01

    The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.

  6. A study of tungsten spectra using large helical device and compact electron beam ion trap in NIFS

    Energy Technology Data Exchange (ETDEWEB)

    Morita, S.; Goto, M.; Murakami, I. [National Institute for Fusion Science, Toki 509-5292, Gifu (Japan); Department of Fusion Science, Graduate University for Advanced Studies, Toki 509-5292, Gifu (Japan); Dong, C. F.; Kato, D.; Sakaue, H. A.; Oishi, T. [National Institute for Fusion Science, Toki 509-5292, Gifu (Japan); Hasuo, M. [Department of Mechanical Engineering and Science, Graduate School of Engineering, Kyoto University, Kyoto 606-8501 (Japan); Koike, F. [Physics Laboratory, School of Medicine, Kitasato University, Sagamihara 252-0374 (Japan); Nakamura, N. [Institute of Laser Science, University of Electro-Communications, Tokyo 182-8585 (Japan); Sasaki, A. [Quantum Beam Science Directorate, Japan Atomic Energy Research Agency, Kizugawa 619-0215, Kyoto (Japan); Wang, E. H. [Department of Fusion Science, Graduate University for Advanced Studies, Toki 509-5292, Gifu (Japan)

    2013-07-11

    Tungsten spectra have been observed from Large Helical Device (LHD) and Compact electron Beam Ion Trap (CoBIT) in wavelength ranges of visible to EUV. The EUV spectra with unresolved transition array (UTA), e.g., 6g-4f, 5g-4f, 5f-4d and 5p-4d transitions for W{sup +24-+33}, measured from LHD plasmas are compared with those measured from CoBIT with monoenergetic electron beam ({<=}2keV). The tungsten spectra from LHD are well analyzed based on the knowledge from CoBIT tungsten spectra. The C-R model code has been developed to explain the UTA spectra in details. Radial profiles of EUV spectra from highly ionized tungsten ions have been measured and analyzed by impurity transport simulation code with ADPAK atomic database code to examine the ionization balance determined by ionization and recombination rate coefficients. As the first trial, analysis of the tungsten density in LHD plasmas is attempted from radial profile of Zn-like WXLV (W{sup 44+}) 4p-4s transition at 60.9A based on the emission rate coefficient calculated with HULLAC code. As a result, a total tungsten ion density of 3.5 Multiplication-Sign 10{sup 10}cm{sup -3} at the plasma center is reasonably obtained. In order to observe the spectra from tungsten ions in lower-ionized charge stages, which can give useful information on the tungsten influx in fusion plasmas, the ablation cloud of the impurity pellet is directly measured with visible spectroscopy. A lot of spectra from neutral and singly ionized tungsten are observed and some of them are identified. A magnetic forbidden line from highly ionized tungsten ions has been examined and Cd-like WXXVII (W{sup 26+}) at 3893.7A is identified as the ground-term fine-structure transition of 4f{sup 23}H{sub 5}-{sup 3}H{sub 4}. The possibility of {alpha} particle diagnostic in D-T burning plasmas using the magnetic forbidden line is discussed.

  7. A study of tungsten spectra using large helical device and compact electron beam ion trap in NIFS

    Science.gov (United States)

    Morita, S.; Dong, C. F.; Goto, M.; Kato, D.; Murakami, I.; Sakaue, H. A.; Hasuo, M.; Koike, F.; Nakamura, N.; Oishi, T.; Sasaki, A.; Wang, E. H.

    2013-07-01

    Tungsten spectra have been observed from Large Helical Device (LHD) and Compact electron Beam Ion Trap (CoBIT) in wavelength ranges of visible to EUV. The EUV spectra with unresolved transition array (UTA), e.g., 6g-4f, 5g-4f, 5f-4d and 5p-4d transitions for W+24-+33, measured from LHD plasmas are compared with those measured from CoBIT with monoenergetic electron beam (≤2keV). The tungsten spectra from LHD are well analyzed based on the knowledge from CoBIT tungsten spectra. The C-R model code has been developed to explain the UTA spectra in details. Radial profiles of EUV spectra from highly ionized tungsten ions have been measured and analyzed by impurity transport simulation code with ADPAK atomic database code to examine the ionization balance determined by ionization and recombination rate coefficients. As the first trial, analysis of the tungsten density in LHD plasmas is attempted from radial profile of Zn-like WXLV (W44+) 4p-4s transition at 60.9Å based on the emission rate coefficient calculated with HULLAC code. As a result, a total tungsten ion density of 3.5×1010cm-3 at the plasma center is reasonably obtained. In order to observe the spectra from tungsten ions in lower-ionized charge stages, which can give useful information on the tungsten influx in fusion plasmas, the ablation cloud of the impurity pellet is directly measured with visible spectroscopy. A lot of spectra from neutral and singly ionized tungsten are observed and some of them are identified. A magnetic forbidden line from highly ionized tungsten ions has been examined and Cd-like WXXVII (W26+) at 3893.7Å is identified as the ground-term fine-structure transition of 4f23H5-3H4. The possibility of α particle diagnostic in D-T burning plasmas using the magnetic forbidden line is discussed.

  8. A study of tungsten spectra using large helical device and compact electron beam ion trap in NIFS

    International Nuclear Information System (INIS)

    Morita, S.; Goto, M.; Murakami, I.; Dong, C. F.; Kato, D.; Sakaue, H. A.; Oishi, T.; Hasuo, M.; Koike, F.; Nakamura, N.; Sasaki, A.; Wang, E. H.

    2013-01-01

    Tungsten spectra have been observed from Large Helical Device (LHD) and Compact electron Beam Ion Trap (CoBIT) in wavelength ranges of visible to EUV. The EUV spectra with unresolved transition array (UTA), e.g., 6g-4f, 5g-4f, 5f-4d and 5p-4d transitions for W +24-+33 , measured from LHD plasmas are compared with those measured from CoBIT with monoenergetic electron beam (≤2keV). The tungsten spectra from LHD are well analyzed based on the knowledge from CoBIT tungsten spectra. The C-R model code has been developed to explain the UTA spectra in details. Radial profiles of EUV spectra from highly ionized tungsten ions have been measured and analyzed by impurity transport simulation code with ADPAK atomic database code to examine the ionization balance determined by ionization and recombination rate coefficients. As the first trial, analysis of the tungsten density in LHD plasmas is attempted from radial profile of Zn-like WXLV (W 44+ ) 4p-4s transition at 60.9Å based on the emission rate coefficient calculated with HULLAC code. As a result, a total tungsten ion density of 3.5×10 10 cm −3 at the plasma center is reasonably obtained. In order to observe the spectra from tungsten ions in lower-ionized charge stages, which can give useful information on the tungsten influx in fusion plasmas, the ablation cloud of the impurity pellet is directly measured with visible spectroscopy. A lot of spectra from neutral and singly ionized tungsten are observed and some of them are identified. A magnetic forbidden line from highly ionized tungsten ions has been examined and Cd-like WXXVII (W 26+ ) at 3893.7Å is identified as the ground-term fine-structure transition of 4f 23 H 5 - 3 H 4 . The possibility of α particle diagnostic in D-T burning plasmas using the magnetic forbidden line is discussed

  9. Study of electron transition energies between anions and cations in spinel ferrites using differential UV–vis absorption spectra

    International Nuclear Information System (INIS)

    Xue, L.C.; Wu, L.Q.; Li, S.Q.; Li, Z.Z.; Tang, G.D.; Qi, W.H.; Ge, X.S.; Ding, L.L.

    2016-01-01

    It is very important to determine electron transition energies (E_t_r) between anions and different cations in order to understand the electrical transport and magnetic properties of a material. Many authors have analyzed UV–vis absorption spectra using the curve (αhν)"2 vs E, where α is the absorption coefficient and E(=hν) is the photon energy. Such an approach can give only two band gap energies for spinel ferrites. In this paper, using differential UV–vis absorption spectra, dα/dE vs E, we have obtained electron transition energies (E_t_r) between the anions and cations, Fe"2"+ and Fe"3"+ at the (A) and [B] sites and Ni"2"+ at the [B] sites for the (A)[B]_2O_4 spinel ferrite samples Co_xNi_0_._7_−_xFe_2_._3O_4 (0.0≤x≤0.3), Cr_xNi_0_._7Fe_2_._3_−_xO_4 (0.0≤x≤0.3) and Fe_3O_4. We suggest that the differential UV–vis absorption spectra should be accepted as a general analysis method for determining electron transition energies between anions and cations.

  10. Influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum

    International Nuclear Information System (INIS)

    Polasik, M; Koziol, K; Slabkowska, K; Czarnota, M; Pajek, M

    2009-01-01

    Extensive multiconfiguration Dirac-Fock (MCDF) calculations with the inclusion of the transverse (Breit) interaction and QED corrections have been carried out on molybdenum to explain the dependence of the structure of Lα 1,2 and Lβ 1 lines on the changes in configurations of the valence electrons belonging to two different configuration types: three open-shell 4d 6-r 5s r (r = 2,1,0) configurations and one closed-shell 4d 4 3/2 5s 2 configuration. It has been found that the MCDF predictions for open-shell valence configurations (4d 4 5s 2 , 4d 5 5s 1 , 4d 6 5s 0 ) much better reproduce observed structure of Lα 1,2 lines in X-ray spectra of molybdenum than closed-shell 4d 4 3/2 5s 2 valence configuration. The influence of changes in the valence electronic configuration on the structure of L-X-ray spectra of molybdenum is noticeable. Moreover, the observation of the shapes of L-X-ray spectra seems to be very good method to investigate the changes of the valence electronic configuration caused by the chemical environment.

  11. Time-dependent radiolytic yields at room temperature and temperature-dependent absorption spectra of the solvated electrons in polyols

    International Nuclear Information System (INIS)

    Lin Mingzhang; Mostafavi, M.; Lampre, I.; Muroya, Y.; Katsumura, Y.

    2007-01-01

    The molar extinction coefficients at the absorption maximum of the solvated electron spectrum have been evaluated to be 900, 970, and 1000 mol -1 ·m 2 for 1,2-ethanediol (12ED), 1,2-propanediol (12PD), and 1,3-propanediol (13PD), respectively. These values are two-third or three-fourth of the value usually reported in the published report. Picosecond pulse radiolysis studies have aided in depicting the radiolytic yield of the solvated electron in these solvents as a function of time from picosecond to microsecond. The radiolytic yield in these viscous solvents is found to be strongly different from that of the water solution. The temperature dependent absorption spectra of the solvated electron in 12ED, 12PD, and 13PD have been also investigated. In all the three solvents, the optical spectra shift to the red with increasing temperature. While the shape of the spectra does not change in 13PD, a widening on the blue side of the absorption band is observed in 12ED and 12PD at elevated temperatures. (authors)

  12. Atomic effects in tritium beta-decay. II. Muon to electron conversion in atoms

    International Nuclear Information System (INIS)

    Wampler, K.D.

    1989-01-01

    I. The final-state, atomic effects in the low energy end of the tritium beta decay spectrum are studied in detail. The author treats the instantaneous, two-electron repulsion in the final state, effectively to all orders in perturbation theory, by solving the eigenvalue problem with a discretized and truncated form of the Hamiltonian. He finds that these effects fail to explain the distortion in the spectrum observed by Simpson (Phys. Rev. Lett. 54, 649 (1985)). Simpson attributed this distortion to the admixture of a heavy mass antineutrino in the outgoing electron antineutrino state. In fact, the final-state Coulomb effects enhance the distortion. This calculation clears up some of the ambiguities of other theoretical analyses based on considerations of screening functions and perturbation theory. II. He presents a phenomenological study of separate lepton number violating muon to electron conversion in atoms. Previous work on this process has concentrated on elastic transitions where the nucleus characteristics have the gate on the substrate and the source-drain contacts on the top of the sample. The first use as an FET dielectric is reported of hydrogenated amorphous silicon-carbon (prepared from silane and propane mixture), photo-oxidised by UV lamp or laser. These FETs have similar characteristics to those with silicon nitride gate insulator but without the difficulties of preparing good insulator/semiconductor interfaces. Using the same materials attempts have been made to produce charge coupled devices

  13. Quantum chemical analysis of the electronic structure and Moessbauer spectra parameters for low spin cyanide- and pyridine-hemichromes

    International Nuclear Information System (INIS)

    Khleskov, V.I.; Kolpakov, E.V.; Smirnov, A.B.

    1992-01-01

    The work contains results of quantum-chemical calculations of electronic structure and Moessbauer spectra parameters for low spin S=1/2 hexa-coordinated ferri-porphyrin complexes with cyanide (CN) and pyridine (Py) as axial ligands. Theoretical results made it possible to explain experimentally observed regularity of anomalous quadrupole splitting decrease after substitution of Py-ligands by CN. Comparison of theoretical and experimental data indicated that 2 E g must be the ground state of investigated hemichromes. In this state unpaired electron symmetrically occupies d π -orbitals of Fe-ion. (orig.)

  14. Detailed spectra of high power broadband microwave radiation from interactions of relativistic electron beams with weakly magnetized plasmas

    International Nuclear Information System (INIS)

    Kato, K.G.; Benford, G.; Tzach, D.

    1983-01-01

    Prodigious quantities of microwave energy are observed uniformly across a wide frequency band when a relativistic electron beam (REB) penetrates a plasma. Measurement calculations are illustrated. A model of Compton-like boosting of ambient plasma waves by beam electrons, with collateral emission of high frequency photons, qualitatively explain the spectra. A transition in spectral behavior is observed from the weak to strong turbulence theories advocated for Type III solar burst radiation, and further into the regime the authors characterize as super-strong REB-plasma interactions

  15. Effects of functional group substitution on electron spectra and solvation dynamics in a family of ionic liquids

    International Nuclear Information System (INIS)

    Wishart, James F.; Lall-Ramnarine, Sharon I.; Raju, Ravinder; Scumpia, Alexander; Bellevue, Sherly; Ragbir, Revans; Engel, Robert

    2005-01-01

    Ionic liquids containing ether-, alcohol- and alkyl-functionalized quaternary ammonium dications were studied by pulse radiolysis. Spectra on nanosecond timescales revealed that solvation of the excess electron is particularly slow in the case of the alcohol-derivatized ionic liquids. The blue shift of the electron spectrum to the customary 650 nm peak takes 25-40 ns at 21 deg. C. Comparison with the relaxation dynamics observed in viscous 1,2,6-trihydroxyhexane reveals the hindering effect of the ionic liquid lattice on hydroxypropyl side chain reorientation

  16. Formation of universal and diffusion regions of non-linear spectra of relativistic electrons in spatially limited sources

    International Nuclear Information System (INIS)

    Kontorovich, V.M.; Kochanov, A.E.

    1980-01-01

    It is demonstrated that in the case of hard injection of relativistic electrons accompanied by the joint action of synchrotron (Compton) losses and energy-dependent spatial diffusion, a spectrum with 'breaks' is formed containing universal (with index γ = 2) and diffusion regions, both independent of the injection spectrum. The effect from non-linearity of the electron spectrum is considered in averaged electromagnetic spectra for various geometries of sources (sphere, disk, arm). It is shown that an universal region (with index α = 0.5) can occur in the radiation spectrum. (orig.)

  17. Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

    Science.gov (United States)

    Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

    2016-02-01

    A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

  18. X-ray photoelectron spectra structure of actinide compounds stipulated by electrons of the inner valence molecular orbitals (IVMO)

    International Nuclear Information System (INIS)

    Teterin, Yu. A.; Ivanov, K. E.

    1997-01-01

    Development of precise X-ray photoelectron spectroscopy using X-ray radiation hν< 1.5 KeV allowed to carry out immediate investigations of fine spectra structure of both weakly bond and deep electrons. Based on the experiments and the obtained results it may be concluded: 1. Under favourable conditions the inner valence molecular orbitals (IVMO) may form in all actinide compounds. 2. The XPS spectra fine structure stipulated by IVMO electrons allows to judge upon the degree of participation of the filled AO electrons in the chemical bond, on the structure o considered atom close environment and the bond lengths in compounds. For amorphous compounds the obtaining of such data based on X-ray structure analysis is restricted. 3. The summary contribution of IVMO electrons to the absolute value of the chemical bonding is comparable with the corresponding value of OMO electrons contribution to the atomic bonding. This fact is very important and new in chemistry. (author)

  19. Feasibility study of internal conversion electron spectroscopy of {sup 229m}Th

    Energy Technology Data Exchange (ETDEWEB)

    Seiferle, Benedict; Wense, Lars von der; Thirolf, Peter G. [Ludwig-Maximilians-Universitaet Muenchen, Garching (Germany)

    2017-05-15

    With an expected energy of 7.8(5) eV, the isomeric first excited state in {sup 229}Th exhibits the lowest excitation energy of all known nuclei. Until today, a value for the excitation energy has been inferred only by indirect measurements. In this paper we propose an experimental method that is potentially capable of measuring the ground-state transition energy via the detection of the internal conversion electrons. MatLab-based Monte Carlo simulations have been performed to obtain an estimate of the expected statistics and to test the feasibility and the expected precision of the experiment. From the simulations we conclude that with the presented methods an energy determination with a precision of better than 0.1 eV is within reach. (orig.)

  20. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States); Ishizaki, Akihito [Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki 444-8585 (Japan)

    2015-08-14

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  1. Quantitative analysis of reflection electron energy loss spectra to determine electronic and optical properties of Fe–Ni alloy thin films

    International Nuclear Information System (INIS)

    Tahir, Dahlang; Oh, Sukh Kun; Kang, Hee Jae; Tougaard, Sven

    2016-01-01

    Highlights: • Electronic and optical properties of Fe-Ni alloy thin films grown on Si (1 0 0) were studied via quantitative analyses of reflection electron energy loss spectra (REELS). • The energy loss functions (ELF) are dominated by a plasmon peak at 23.6 eV for Fe and moves gradually to lower energies in Fe-Ni alloys towards the bulk plasmon energy of Ni at 20.5 eV. • Fe has a strong effect on the dielectric and optical properties of Fe-Ni alloy thin films even for an alloy with 72% Ni. Electronic and optical properties of Fe-Ni alloy thin films grown on Si (1 0 0) were studied via quantitative analyses of reflection electron energy loss spectra (REELS). - Abstract: Electronic and optical properties of Fe–Ni alloy thin films grown on Si (1 0 0) by ion beam sputter deposition were studied via quantitative analyses of reflection electron energy loss spectra (REELS). The analysis was carried out by using the QUASES-XS-REELS and QUEELS-ε(k,ω)-REELS softwares to determine the energy loss function (ELF) and the dielectric functions and optical properties by analyzing the experimental spectra. For Ni, the ELF shows peaks around 3.6, 7.5, 11.7, 20.5, 27.5, 67 and 78 eV. The peak positions of the ELF for Fe_2_8Ni_7_2 are similar to those of Fe_5_1Ni_4_9, even though there is a small peak shift from 18.5 eV for Fe_5_1Ni_4_9 to 18.7 eV for Fe_2_8Ni_7_2. A plot of n, k, ε_1, and ε_2 shows that the QUEELS-ε(k,ω)-REELS software for analysis of REELS spectra is useful for the study of optical properties of transition metal alloys. For Fe–Ni alloy with high Ni concentration (Fe_2_8Ni_7_2), ε_1, and ε_2 have strong similarities with those of Fe. This indicates that the presence of Fe in the Fe–Ni alloy thin films has a strong effect.

  2. Electron-capture process and ion mobility spectra in plasma chromatography

    International Nuclear Information System (INIS)

    Karasek, F.W.; Spangler, G.E.

    1981-01-01

    The basic principles of plasma chromatography are introduced and ion mobility relationships presented. The relationships of plasma chromatography to electron-capture detector mechanisms are discussed, including electron energy considerations and electron-capture reactions. A number of experimental studies by plasma chromatography are described. (C.F.)

  3. Theory of photoemission and inverse-photoemission spectra of highly correlated electron systems: A weak-coupling 1/N expansion

    International Nuclear Information System (INIS)

    Riseborough, P.S.

    1989-01-01

    An N-fold-degenerate Hubbard model is examined in the weak-coupling regime. The one-electron Green's function is calculated from a systematic expansion of the irreducible self-energy in powers of 1/N. To lowest order in the expansion, one obtains a trivial mean-field theory. In the next leading order in 1/N, one finds that the dynamics are dominated by bosonlike collective excitations. The resulting expansion has the characteristics of the standard weak-coupling field theory, except the inclusion of the 1/N factors extends the regime of applicability to include Stoner-like enhancement factors which can be N times larger. The joint valence-band photoemission and inverse-photoemission spectrum is given by the trace of the imaginary part of the one-electron Green's function. The electronic spectrum has been calculated by truncating the series expansion for the self-energy in the lowest nontrivial order of 1/N. For small values of the Coulomb interaction between the electrons, the spectrum reduces to the form obtained by calculating the self-energy to second order in the Coulomb interaction. The spectra shows a narrowing of the band in the vicinity of the Fermi level and long high-energy band tails. When the boson spectrum softens, indicating the vicinity of a phase transition, the electronic spectrum shows the appearance of satellites. The results are compared with experimental observations of anomalies in the electronic spectra of uranium-based systems. The relation between the electronic spectrum and the thermodynamic mass enhancements is also discussed

  4. Time evolution of the characteristic electron energy losses spectra of the electrons scattered on polycrystal samples of Al mechanically cleaned in vacuum

    International Nuclear Information System (INIS)

    Szczesny, R.; Baranowski, A.; Beliczynski, J.

    1982-01-01

    Measurements by the reflection technique of characteristic electron energy losses (CEEL) with a primary electron beam of energy E 0 =1 keV have been carried out on polycrystal samples of Al. The sample surfaces have been mechanically cleaned in a dinamical vacuum of the order 10 -6 Tr before each measurement. The CEEL spectra have been corrected for the resolving power of the apparatus by the deconvolution method. We have ascertained that the measuring technique and elaboration data method are useful for quickly obtaining the plasmon energy loss spectrum for an investigated material. (author)

  5. Influence of annealing temperature on Raman and photoluminescence spectra of electron beam evaporated TiO₂ thin films.

    Science.gov (United States)

    Vishwas, M; Narasimha Rao, K; Chakradhar, R P S

    2012-12-01

    Titanium dioxide (TiO(2)) thin films were deposited on fused quartz substrates by electron beam evaporation method at room temperature. The films were annealed at different temperatures in ambient air. The surface morphology/roughness at different annealing temperatures were analyzed by atomic force microscopy (AFM). The crystallinity of the film has improved with the increase of annealing temperature. The effect of annealing temperature on optical, photoluminescence and Raman spectra of TiO(2) films were investigated. The refractive index of TiO(2) films were studied by envelope method and reflectance spectra and it is observed that the refractive index of the films was high. The photoluminescence intensity corresponding to green emission was enhanced with increase of annealing temperature. The peaks in Raman spectra depicts that the TiO(2) film is of anatase phase after annealing at 300°C and higher. The films show high refractive index, good optical quality and photoluminescence characteristics suggest that possible usage in opto-electronic and optical coating applications. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Physical basis of power conversion of energy fluctuations of hot electrons

    Energy Technology Data Exchange (ETDEWEB)

    Yater, J C

    1983-12-01

    The design of an experimental reversible-energy-fluctuation (REF) solar converter using hot nonequilibrated (HNE) electrons is presented. The physical principles are introduced, and an idealized model is described and analyzed in terms of radiation and electron-thermalization losses and first-to-third-layer transfer times. It is shown that the 93-percent limiting conversion efficiency can be approached in both a two-level and an N-level model, even in larger-scale circuits. On the other hand, as circuit size is decreased below 100 nm, the maximum power output can exceed 10 MW/sq m. The materials and thicknesses to be used in an experimental thin-film version of the REF device are outlined, including a 10-60-nm-thick Cd3As2 or alpha-Sn absorbing layer, a 4-10-nm-thick doped-semiconductor or semimetal quantum-well layer, and a Schottky-barrier diode layer comprising a 4-10-nm-thick Pb sheet on a 5-20-nm-thick p-GaAs film. Experiments at lattice temperatures of from 300 to 1 K with input radiation at wavelengths from 1 micron to the solar spectrum and intensities from zero to 1 mW are planned to determine whether the predicted practical efficiency of 80 percent can be obtained. 19 references.

  7. Multifractal spectra of scanning electron microscope images of SnO2 thin films prepared by pulsed laser deposition

    International Nuclear Information System (INIS)

    Chen, Z.W.; Lai, J.K.L.; Shek, C.H.

    2005-01-01

    The concept of fractal geometry has proved useful in describing structures and processes in experimental systems. In this Letter, the surface topographies of SnO 2 thin films prepared by pulsed laser deposition for various substrate temperatures were measured by scanning electron microscope (SEM). Multifractal spectra f(α) show that the higher the substrate temperature, the wider the spectrum, and the larger the Δf(Δf=f(α min )-f(α max )). It is apparent that the nonuniformity of the height distribution increases with the increasing substrate temperature, and the liquid droplets of SnO 2 thin films are formed on previous thin films. These results show that the SEM images can be characterized by the multifractal spectra

  8. De novo analysis of electron impact mass spectra using fragmentation trees

    International Nuclear Information System (INIS)

    Hufsky, Franziska; Rempt, Martin; Rasche, Florian; Pohnert, Georg; Böcker, Sebastian

    2012-01-01

    Highlights: ► We present a method for de novo analysis of accurate mass EI mass spectra of small molecules. ► This method identifies the molecular ion and thus the molecular formula where the molecular ion is present in the spectrum. ► Fragmentation trees are constructed by automated signal extraction and evaluation. ► These trees explain relevant fragmentation reactions. ► This method will be very helpful in the automated analysis of unknown metabolites. - Abstract: The automated fragmentation analysis of high resolution EI mass spectra based on a fragmentation tree algorithm is introduced. Fragmentation trees are constructed from EI spectra by automated signal extraction and evaluation. These trees explain relevant fragmentation reactions and assign molecular formulas to fragments. The method enables the identification of the molecular ion and the molecular formula of a metabolite if the molecular ion is present in the spectrum. These identifications are independent of existing library knowledge and, thus, support assignment and structural elucidation of unknown compounds. The method works even if the molecular ion is of very low abundance or hidden under contaminants with higher masses. We apply the algorithm to a selection of 50 derivatized and underivatized metabolites and demonstrate that in 78% of cases the molecular ion can be correctly assigned. The automatically constructed fragmentation trees correspond very well to published mechanisms and allow the assignment of specific relevant fragments and fragmentation pathways even in the most complex EI-spectra in our dataset. This method will be very helpful in the automated analysis of metabolites that are not included in common libraries and it thus has the potential to support the explorative character of metabolomics studies.

  9. The SAGE spectrometer: A tool for combined in-beam γ-ray and conversion electron spectroscopy

    International Nuclear Information System (INIS)

    Papadakis, P; Herzberg, R-D; Pakarinen, J; Butler, P A; Cox, D; Cresswell, J R; Parr, E; Sampson, J; Greenlees, P T; Sorri, J; Hauschild, K; Jones, P; Julin, R; Peura, P; Rahkila, P; Sandzelius, M; Coleman-Smith, P J; Lazarus, I H; Letts, S C; Pucknell, V F E

    2011-01-01

    The SAGE spectrometer allows simultaneous in-beam γ-ray and internal conversion electron measurements, by combining a germanium detector array with a highly segmented silicon detector and an electron transport system. SAGE is coupled with the ritu gas-filled recoil separator and the great focal-plane spectrometer for recoil-decay tagging studies. Digital electronics are used both for the γ ray and the electron parts of the spectrometer. SAGE was commissioned in the Accelerator Laboratory of the University of Jyvaeskylae in the beginning of 2010.

  10. ONSETS AND SPECTRA OF IMPULSIVE SOLAR ENERGETIC ELECTRON EVENTS OBSERVED NEAR THE EARTH

    International Nuclear Information System (INIS)

    Kontar, Eduard P.; Reid, Hamish A. S.

    2009-01-01

    Impulsive solar energetic electrons are often observed in the interplanetary space near the Earth and have an attractive diagnostic potential for poorly understood solar flare acceleration processes. We investigate the transport of solar flare energetic electrons in the heliospheric plasma to understand the role of transport to the observed onset and spectral properties of the impulsive solar electron events. The propagation of energetic electrons in solar wind plasma is simulated from the acceleration region at the Sun to the Earth, taking into account self-consistent generation and absorption of electrostatic electron plasma (Langmuir) waves, effects of nonuniform plasma, collisions, and Landau damping. The simulations suggest that the beam-driven plasma turbulence and the effects of solar wind density inhomogeneity play a crucial role and lead to the appearance of (1) a spectral break for a single power-law injected electron spectrum, with the spectrum flatter below the break, (2) apparent early onset of low-energy electron injection, and (3) the apparent late maximum of low-energy electron injection. We show that the observed onsets, spectral flattening at low energies, and formation of a break energy at tens of keV is the direct manifestation of wave-particle interactions in nonuniform plasma of a single accelerated electron population with an initial power-law spectrum.

  11. Electronic energy loss spectra from mono-layer to few layers of phosphorene

    International Nuclear Information System (INIS)

    Mohan, Brij; Thakur, Rajesh; Ahluwalia, P. K.

    2016-01-01

    Using first principles calculations, electronic and optical properties of few-layers phosphorene has been investigated. Electronic band structure show a moderate band gap of 0.9 eV in monolayer phosphorene which decreases with increasing number of layers. Optical properties of few-layers of phosphorene in infrared and visible region shows tunability with number of layers. Electron energy loss function has been plotted and huge red shift in plasmonic behaviours is found. These tunable electronic and optical properties of few-layers of phosphorene can be useful for the applications of optoelectronic devices.

  12. Electronic energy loss spectra from mono-layer to few layers of phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, Brij, E-mail: brijmohanhpu@yahoo.com; Thakur, Rajesh; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla (HP) India 171005 (India)

    2016-05-23

    Using first principles calculations, electronic and optical properties of few-layers phosphorene has been investigated. Electronic band structure show a moderate band gap of 0.9 eV in monolayer phosphorene which decreases with increasing number of layers. Optical properties of few-layers of phosphorene in infrared and visible region shows tunability with number of layers. Electron energy loss function has been plotted and huge red shift in plasmonic behaviours is found. These tunable electronic and optical properties of few-layers of phosphorene can be useful for the applications of optoelectronic devices.

  13. DFT studies for three Cu(II) coordination polymers: Geometrical and electronic structures, g factors and UV-visible spectra

    Science.gov (United States)

    Ding, Chang-Chun; Wu, Shao-Yi; Xu, Yong-Qiang; Wu, Li-Na; Zhang, Li-Juan

    2018-05-01

    This work presents a systematic density functional theory (DFT) study for geometrical and electronic structures, g factors and UV-vis spectra of three Cu(II) coordination polymers (CPs) [Cu(XL)(NO3)2]n (1), {[Cu(XL)(4,4‧-bpy)(NO3)2]•CH3CN}n (2) and {[Cu(XL)3](NO3)2·3.5H2O}n (3) based on the ligand N,N‧-bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxdiimide bi(1,2,4-triazole) (XL) with the linker triazole coordinated with copper to construct the CPs. For three CPs with distinct ligands, the optimized molecular structures with PBE0 hybrid functional and the 6-311g basis set agree well with the corresponding XRD data. Meanwhile, the electronic properties are also analyzed for all the systems. The calculated g factors are found sensitive to the (Hartree-Fock) HF character due to the significant hybridization between copper and ligand orbitals. The calculated UV-visible spectra reveal that the main electronic transitions for CP 1 contain d-d and CT transitions, while those for CPs 2 and 3 largely belong to CT ones. The present CPs seem difficult to adsorb small molecules, e.g., CP 1 with H2O and NO2 exhibit unfavorable adsorption and deformation structures near the Cu2+ site.

  14. Ions and electrons thermal effects on the fast-slow mode conversion process in a three components plasma

    International Nuclear Information System (INIS)

    Fidone, I.; Gomberoff, L.

    1977-07-01

    Fast-slow mode conversion in a deuterium plasma with a small amount of hydrogen impurity, for frequencies close to the two-ion hybrid frequency, is investigated. It is shown that while electron thermal effects tend to inhibit the wave conversion process, ion thermal effects tend to restore, qualitatively, the cold plasma properties, favouring therefore, the energy exchange between the two modes. The aforementioned effects are competitive for zetasub(o)sup(e)=1/nsub(parall).vsub(e)>=1. For zetasub(o)sup(e)<=1, electron thermal effects, in particular Landau damping, dominate over ion Larmor radius effects, drastically diminishing the wave conversion efficacy. For zetasub(o)sup(e)<<1, the coupling between the modes disappears altogether

  15. Bremsstrahlung spectra from thick-target electron beams with noncollisional energy losses

    International Nuclear Information System (INIS)

    Brown, J.C.; MacKinnon, A.L.

    1985-01-01

    We consider what can be learned from the bremsstrahlung radiation of fast electrons in a thick target, generalized to include electron energy losses additional to collisions. We show that the observed photon spectrum can, in principle, be inverted to yield an integral functional of the electron spectrum and the effective energy loss rate. In the light of this result, there seems no reason to suppose, in the absence of a priori information to the contrary, that the photon spectrum is symptomatic more of the fast electron distribution than of the energy loss processes. In cases where the electron injection spectrum is known on independent observational or theoretical grounds, it is possible to infer an effective, ''phenomenological'' energy loss function. In the more general case, however, fullest possible modeling of the physical situation and comparison of the resulting spectrum with observations is all that can be attempted

  16. Imprints of the Molecular Electronic Structure in the Photoelectron Spectra of Strong-Field Ionized Asymmetric Triatomic Model Molecules

    Science.gov (United States)

    Paul, Matthias; Yue, Lun; Gräfe, Stefanie

    2018-06-01

    We examine the circular dichroism in the angular distribution of photoelectrons of triatomic model systems ionized by strong-field ionization. Following our recent work on this effect [Paul, Yue, and Gräfe, J. Mod. Opt. 64, 1104 (2017), 10.1080/09500340.2017.1299883], we demonstrate how the symmetry and electronic structure of the system is imprinted into the photoelectron momentum distribution. We use classical trajectories to reveal the origin of the threefolded pattern in the photoelectron momentum distribution, and show how an asymmetric nuclear configuration of the triatomic system effects the photoelectron spectra.

  17. Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data

    Energy Technology Data Exchange (ETDEWEB)

    Thaler, Philipp; Volk, Alexander; Lackner, Florian; Steurer, Johannes; Schnedlitz, Martin; Ernst, Wolfgang E., E-mail: wolfgang.ernst@tugraz.at [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz (Austria); Knez, Daniel; Haberfehlner, Georg [Institute for Electron Microscopy and Nanoanalysis & Graz Centre for Electron Microscopy, TU Graz, Steyrergasse 17, A-8010 Graz (Austria)

    2015-10-07

    Micrometer sized helium droplets provide an extraordinary environment for the growth of nanoparticles. The method promises great potential for the preparation of core-shell particles as well as one-dimensional nanostructures, which agglomerate along quantum vortices, without involving solvents, ligands, or additives. Using a new apparatus, which enables us to record mass spectra of heavy dopant clusters (>10{sup 4} amu) and to produce samples for transmission electron microscopy simultaneously, we synthesize bare and bimetallic nanoparticles consisting of various materials (Au, Ni, Cr, and Ag). We present a systematical study of the growth process of clusters and nanoparticles inside the helium droplets, which can be described with a simple theoretical model.

  18. Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy data

    International Nuclear Information System (INIS)

    Thaler, Philipp; Volk, Alexander; Lackner, Florian; Steurer, Johannes; Schnedlitz, Martin; Ernst, Wolfgang E.; Knez, Daniel; Haberfehlner, Georg

    2015-01-01

    Micrometer sized helium droplets provide an extraordinary environment for the growth of nanoparticles. The method promises great potential for the preparation of core-shell particles as well as one-dimensional nanostructures, which agglomerate along quantum vortices, without involving solvents, ligands, or additives. Using a new apparatus, which enables us to record mass spectra of heavy dopant clusters (>10 4 amu) and to produce samples for transmission electron microscopy simultaneously, we synthesize bare and bimetallic nanoparticles consisting of various materials (Au, Ni, Cr, and Ag). We present a systematical study of the growth process of clusters and nanoparticles inside the helium droplets, which can be described with a simple theoretical model

  19. Ruthenium(II) chloro-bis(bipyridyl) complexes with substituted pyridine ligands: interpretation of their electronic absorption spectra

    International Nuclear Information System (INIS)

    Sizova, O.V.; Ershov, A.Yu.; Ivanova, N.V.; Shashko, A.D.; Kutejkina-Teplyakova, A.V.

    2003-01-01

    A number of complexes cis-[Ru(Bipy) 2 (L)(Cl)](BF 4 ), where Bipy-2,2'-bipyridine, L-pyridine, 4-aminopyridine, 4-picoline, nicotinamide, isonicotinamide, 3- and 4-cyanopyridine, 4,4'-bipyridine, trans-1,2-bis(4-pyridyl)ethylene, 4,4'-azopyridine, pyrazine, imidazole and NH 3 , were prepared. Using the CINDO-CI semiempirical method the energies and intensities of transition in electronic absorption spectra (EAS) of the complexes were calculated. It is shown that major differences in EAS of the compounds stem from position of transitions with charge transfer d π (Ru)→π*(L) [ru

  20. X-ray electron spectra of chalcogenide glasses and polycrystalline alloys of Ge-Te and As-Te systems

    International Nuclear Information System (INIS)

    Panus, V.R.

    1990-01-01

    Comparative investigation into structures of crystals and glasses in Ge-Te and As-Te two-component systems was conducted. Analysis of x-ray electron spectra of Ge-Te and As-Te systems indicates, that processes of dissociation-association resulting in formation of new structure units occur in telluride melts at synthesis temperatures. Structural chemical composition of binary glass-like alloys of Ge-Te and As-Te systems differs essentially from the one that corresponds to fusibility equilibrium curve. Oxygen doping into tellurium-base glasses results mainly in occurence of structures forecasted due to thermochemical calculation

  1. Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase

    International Nuclear Information System (INIS)

    Wang Haobin; Thoss, Michael

    2008-01-01

    A quantum dynamical method is presented to accurately simulate time-resolved nonlinear spectra for complex molecular systems. The method combines the nonpertubative approach to describe nonlinear optical signals with the multilayer multiconfiguration time-dependent Hartree theory to calculate the laser-induced polarization for the overall field-matter system. A specific nonlinear optical signal is obtained by Fourier decomposition of the overall polarization. The performance of the method is demonstrated by applications to photoinduced ultrafast electron transfer reactions in mixed-valence compounds and at dye-semiconductor interfaces

  2. Electron cyclotron heating and current drive approach for low-temperature startup plasmas using O-X-EBW mode conversion

    International Nuclear Information System (INIS)

    Batchelor, D.B.; Bigelow, T.S.

    1997-01-01

    A mechanism for heating and driving currents in very overdense plasmas is considered based on a double-mode conversion: Ordinary mode to Extraordinary mode to electron Bernstein wave. The possibility of using this mechanism for plasma buildup and current ramp in the National Spherical Torus Experiment is investigated

  3. Electron photon spectra at atmospheric depths 260 and 400 gm/cm2 derived from the Goddard primary proton spectrum using Fermilab data and usual cascade theory

    International Nuclear Information System (INIS)

    Bhattacharyya, D.P.; Gautam, V.P.

    1982-01-01

    The integral electron photon spectra of cosmic rays at airplane altitude and Lenin Peak (altitudes 260 and 400 g-cm -2 air) have been estimated from the primary proton spectrum of Goddard Space Flight Group using Fermilab data of pp→π +- +X and conventional cascade theory. The derived electron-photon spectra fits well the experimental data of Ohta et al. (1975) and Cherdyntseva and Nikol'skii (1976) for energies above 4 TeV

  4. Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

    Science.gov (United States)

    Sulc, Miroslav; Hernandez, Henar; Martinez, Todd J.; Vanicek, Jiri

    2014-03-01

    We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that cellularization yields further acceleration [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here we focus on increasing its accuracy by first implementing an exact Gaussian basis method (GBM) combining the accuracy of quantum dynamics and efficiency of classical dynamics. The DR is then derived together with ten other methods for computing time-resolved spectra with intermediate accuracy and efficiency. These include the Gaussian DR (GDR), an exact generalization of the DR, in which trajectories are replaced by communicating frozen Gaussians evolving classically with an average Hamiltonian. The methods are tested numerically on time correlation functions and time-resolved stimulated emission spectra in the harmonic potential, pyrazine S0 /S1 model, and quartic oscillator. Both the GBM and the GDR are shown to increase the accuracy of the DR. Surprisingly, in chaotic systems the GDR can outperform the presumably more accurate GBM, in which the two bases evolve separately. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

  5. Cryo-immunogold electron microscopy for prions: toward identification of a conversion site.

    Science.gov (United States)

    Godsave, Susan F; Wille, Holger; Kujala, Pekka; Latawiec, Diane; DeArmond, Stephen J; Serban, Ana; Prusiner, Stanley B; Peters, Peter J

    2008-11-19

    Prion diseases are caused by accumulation of an abnormally folded isoform (PrP(Sc)) of the cellular prion protein (PrP(C)). The subcellular distribution of PrP(Sc) and the site of its formation in brain are still unclear. We performed quantitative cryo-immunogold electron microscopy on hippocampal sections from mice infected with the Rocky Mountain Laboratory strain of prions. Two antibodies were used: R2, which recognizes both PrP(C) and PrP(Sc); and F4-31, which only detects PrP(C) in undenatured sections. At a late subclinical stage of prion infection, both PrP(C) and PrP(Sc) were detected principally on neuronal plasma membranes and on vesicles resembling early endocytic or recycling vesicles in the neuropil. The R2 labeling was approximately six times higher in the infected than the uninfected hippocampus and gold clusters were only evident in infected tissue. The biggest increase in labeling density (24-fold) was found on the early/recycling endosome-like vesicles of small-diameter neurites, suggesting these as possible sites of conversion. Trypsin digestion of infected hippocampal sections resulted in a reduction in R2 labeling of >85%, which suggests that a high proportion of PrP(Sc) may be oligomeric, protease-sensitive PrP(Sc).

  6. Conversion from tooth enamel dose to organ doses for electron spin resonance dosimetry

    International Nuclear Information System (INIS)

    Takahashi, Fumiaki; Yamaguchi, Yasuhiro; Saito, Kimiaki; Hamada, Tatsuji

    2002-01-01

    Conversion from tooth enamel dose to organ doses was analyzed to establish a method of retrospective individual dose assessment against external photon exposure by electron spin resonance (ESR) dosimetry. Dose to tooth enamel was obtained by Monte Carlo calculations using a modified MIRD-type phantom with a teeth part. The calculated tooth enamel doses were verified by measurements with thermo-luminescence dosimeters inserted in a physical head phantom. Energy and angular dependences of tooth enamel dose were compared with those of other organ doses. Additional Monte Carlo calculations were performed to study the effect of human model on the tooth enamel dose with a voxel-type phantom, which was based on computed tomography images of the physical phantom. The data derived with the modified MIRD-type phantom were applied to convert from tooth enamel dose to organ doses against external photon exposure in a hypothesized field, where scattered radiation was taken into account. The results indicated that energy distribution of photons incident to a human body is required to evaluate precisely an individual dose based on ESR dosimetry for teeth. (author)

  7. Optimization of a conversion electron Moessbauer spectroscopy gas flow He/CH4 proportional counter

    International Nuclear Information System (INIS)

    Hanzel, D.; Griesbach, P.; Meisel, W.; Guetlich, P.

    1992-01-01

    A new detector for CEMS has been built and optimized with respect to the statistical quality of spectra obtained. The optimization has been performed by measuring Moessbauer and pulse height spectra at in- and off-resonance. Single channel analyzer settings were calculated by a new optimization routine. A comparison of different detector designs has been performed using the statistical utility rate of spectra obtained from a stainless steel foil. A procedure for determining optimal operating parameters for ICEMS gas flow proposed. (orig.)

  8. Relation of high harmonic spectra to electronic structure in N2

    International Nuclear Information System (INIS)

    Farrell, J.P.; McFarland, B.K.; Guehr, M.; Bucksbaum, P.H.

    2009-01-01

    High harmonics of N 2 exhibit a number of features that are related to the electronic structure and sub-femtosecond dynamics of the molecule. Through measurements and simulations, we show how the harmonic spectral shape, spectral phase, alignment angle dependence, and intensity dependence can be related to the strong-field ionization and recombination dynamics of the HOMO and HOMO-1 electron orbitals. A field-free static model of the molecule is insufficient to explain the observations.

  9. A comparison of experiment, CEPXS/ONETRAN, TIGERP, and TIGER net electron emission coefficients for various bremsstrahlung spectra

    International Nuclear Information System (INIS)

    Ballard, W.P.; Lorence, L.J. Jr.; Snowden, D.P.; Van Lint, V.A.J.; Beale, E.S.

    1987-01-01

    This work compares a carefully designed experiment to measure photoemission with the predictions of three different codes (CEPXS/ONETRAN, TIGERP, and TIGER) for the complex bremsstrahlung spectra typical of very intense pulsed power x-ray generators. The Monte Carlo codes TIGER and TIGERP can calculate the net photon-induced electron emission but accurate results may require that statistical error be minimized. CEPXS/ONETRAN is a new deterministic coupled electron/photon transport code that is faster than Monte Carlo and is not subject to statistical error. The comparison of net yields is a sensitive test of the relative accuracy and efficiency of these various codes. The authors find that all of the codes substantially agree with the experiments for the forward net yields. However, for reverse net yields from high-Z materials, the codes overpredict relative to measurements

  10. Application of the equivalent radiator method for radiative corrections to the spectra of elastic electron scattering by nuclei

    Directory of Open Access Journals (Sweden)

    I. S. Timchenko

    2015-07-01

    Full Text Available For calculating the radiative tails in the spectra of inelastic electron scattering by nuclei, the approximation, namely, the equivalent radiator method (ERM, is used. However, the applicability of this method for evaluating the radiative tail from the elastic scattering peak has been little investigated, and therefore, it has become the subject of the present study for the case of light nuclei. As a result, spectral regions were found, where a significant discrepancy between the ERM calculation and the exact-formula calculation was observed. A link was established between this phenomenon and the diffraction minimum of the squared form-factor of the nuclear ground state. Varieties of calculations were carried out for different kinematics of electron scattering by nuclei. The analysis of the calculation results has shown the conditions, at which the equivalent radiator method can be applied for adequately evaluating the radiative tail of the elastic scattering peak.

  11. Electron beam water calorimetry measurements to obtain beam quality conversion factors.

    Science.gov (United States)

    Muir, Bryan R; Cojocaru, Claudiu D; McEwen, Malcolm R; Ross, Carl K

    2017-10-01

    To provide results of water calorimetry and ion chamber measurements in high-energy electron beams carried out at the National Research Council Canada (NRC). There are three main aspects to this work: (a) investigation of the behavior of ionization chambers in electron beams of different energies with focus on long-term stability, (b) water calorimetry measurements to determine absorbed dose to water in high-energy beams for direct calibration of ion chambers, and (c) using measurements of chamber response relative to reference ion chambers, determination of beam quality conversion factors, k Q , for several ion chamber types. Measurements are made in electron beams with energies between 8 MeV and 22 MeV from the NRC Elekta Precise clinical linear accelerator. Ion chamber measurements are made as a function of depth for cylindrical and plane-parallel ion chambers over a period of five years to investigate the stability of ion chamber response and for indirect calibration. Water calorimetry measurements are made in 18 MeV and 22 MeV beams. An insulated enclosure with fine temperature control is used to maintain a constant temperature (drifts less than 0.1 mK/min) of the calorimeter phantom at 4°C to minimize effects from convection. Two vessels of different designs are used with calibrated thermistor probes to measure radiation induced temperature rise. The vessels are filled with high-purity water and saturated with H 2 or N 2 gas to minimize the effect of radiochemical reactions on the measured temperature rise. A set of secondary standard ion chambers are calibrated directly against the calorimeter. Finally, several other ion chambers are calibrated in the NRC 60 Co reference field and then cross-calibrated against the secondary standard chambers in electron beams to realize k Q factors. The long-term stability of the cylindrical ion chambers in electron beams is better (always <0.15%) than plane-parallel chambers (0.2% to 0.4%). Calorimetry measurements

  12. Secondary electronic processes and the structure of X-ray photoelectron spectra of lanthanides in oxygen-containing compounds

    International Nuclear Information System (INIS)

    Teterin, Yu.A.; Teterin, A.Yu.; Lebedev, A.M.; Ivanov, K.E.

    2004-01-01

    X-ray photoelectron spectra of lanthanide compounds in the binding energy range 0-1250 eV beside the spin-orbitally split doublets exhibit fine structure. In particular, in the low-energy spectral range 0-50 eV such structure appears most likely due to the formation of the inner (IVMO) and outer (OVMO) valence molecular orbitals. The many-body perturbation shows up in the spectra of all the studied electronic shells but with different probabilities, while the multiplet splitting and dynamic effect in the spectra of just some inner shells. The present work studies the X-ray photoelectron spectral structure of lanthanide (La-Lu except for Pm) oxides and orthoniobates due to the secondary electronic processes accompanying the photoemission from the inner shells: many-body perturbation and dynamic effect. As a result, for example, the relative intensity of the line due to the many-body perturbation (shake-up process) with ΔE sat ∼4 eV for LaNbO 4 was found to decrease with decreasing of the binding energy of the inner electrons from 0.72 (E b for La 3d 5/2 =834.8 eV) to 0.28 (E b for La 4d 5/2 =102.9 eV). The full-width at half-maximum of the Ln 3d 5/2 line of lanthanide oxides and orthoniobates decreases as the atomic number Z of lanthanide grows in the range 58≤Z≤67 to the middle of the lanthanide row, and then increases. This agrees with the fact that for the beginning of the lanthanide row the Ln 3d 5/2 photoemission is accompanied by the shake-up process, while for the second half of the row--by the shake-down. It is important to note that it is connected with the Ln 4f binding energy change relative to the OVMO in compounds. The present work also confirms experimentally that the dynamic effect due to the gigantic Coster-Kronig transitions observed in the Ln 4p spectra takes place within the inner Ln 4p, 4d and outer Ln 4f shells with formation of the additional two-hole final state Ln 4p 6 4d 8 4f n+1 . The influence of the chemical environment on the Ln 4

  13. Many-electron effect in the Si K-LL resonant Auger-electron spectroscopy spectra of the Si delta layer in GaAs

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2006-01-01

    The Si K-LL resonant Auger-electron spectroscopy (RAES) spectra of silicon delta dopped layers in GaAs with very thin capping layers show both normal Auger decay and resonant Auger decay, when the core-level electron is excited to the conduction band. The resonant Auger peak kinetic energy (KE) shows no dispersion with photon energy, except when excited by the highest energy photons [M.D. Jackson, J.M.C. Thornton, D. Lewis, A. Robinson, M. Fahy, A. Aviary, P. Weightman, Phys. Rev. B71 (2005) 075313]. The RAES spectra are analyzed using a many-body theory. The presence of resonant Auger decay and no dispersion of resonant Auger peak KE with photon energy is explained in terms of the relaxation of a metastable excited core-hole state to a stable one on the time scale of core-hole decay. The excited electron in the conduction band either delocalizes rapidly leaving the ionized Si to decay by a normal Auger decay or drops to a state localized in the Si delta layer before the core-hole decays so that the RAES spectrum has both normal Auger decay and resonant Auger decay. As a result of the relaxation, the resonant Auger peak KE does not show any dispersion with photon energy. The variations with photon energy of the normal or resonant Auger peak intensity, KE, and width are explained in a consistent manner by a many-body theory

  14. The local skin dose conversion coefficients of electrons, protons and alpha particles calculated using the Geant4 code.

    Science.gov (United States)

    Zhang, Bintuan; Dang, Bingrong; Wang, Zhuanzi; Wei, Wei; Li, Wenjian

    2013-10-01

    The skin tissue-equivalent slab reported in the International Commission on Radiological Protection (ICRP) Publication 116 to calculate the localised skin dose conversion coefficients (LSDCCs) was adopted into the Monte Carlo transport code Geant4. The Geant4 code was then utilised for computation of LSDCCs due to a circular parallel beam of monoenergetic electrons, protons and alpha particles electrons and alpha particles are found to be in good agreement with the results using the MCNPX code of ICRP 116 data. The present work thus validates the LSDCC values for both electrons and alpha particles using the Geant4 code.

  15. Recent advances at NASA in calculating the electronic spectra of diatomic molecules

    Science.gov (United States)

    Whiting, Ellis E.; Paterson, John A.

    1988-01-01

    Advanced entry vehicles, such as the proposed Aero-assisted Orbital Transfer Vehicle, provide new and challenging problems for spectroscopy. Large portions of the flow field about such vehicles will be characterized by chemical and thermal nonequilibrium. Only by considering the actual overlap of the atomic and rotational lines emitted by the species present can the impact of radiative transport within the flow field be assessed correctly. To help make such an assessment, a new computer program is described that can generate high-resolution, line-by-line spectra for any spin-allowed transitions in diatomic molecules. The program includes the matrix elements for the rotational energy and distortion to the fourth order; the spin-orbit, spin-spin, and spin-rotation interactions to first order; and the lambda splitting by a perturbation calculation. An overview of the Computational Chemistry Branch at Ames Research Center is also presented.

  16. Theory of emission spectra from metal films irradiated by low energy electrons near normal incidence

    International Nuclear Information System (INIS)

    Kretschmann, E.; Callcott, T.A.; Arakawa, E.T.

    1980-01-01

    The emission spectrum produced by low energy electrons incident on a rough metal surface has been calculated for a roughness auto-correlation function containing a prominent peak at a high wave vector. For low energy electrons near normal incidence, the high wavevector peak dominates the roughness coupled surface plasmon radiation (RCSPR) process. The calculation yields estimates of the ratio of RCSPR to transition radiation, the dependence of emission intensity on electron energy and the shape and position of the RCSPR peak. The most interesting result is that the high-wavevector roughness can split the RCSPR radiation into peaks lying above and below the asymptotic surface plasma frequency. The results are compared with data from Ag in the following paper. (orig.)

  17. Studying electron distributions using the time-resolved free-bound spectra from coronal plasmas

    International Nuclear Information System (INIS)

    Matthews, D.L.; Kauffman, R.L.; Kilkenny, J.D.; Lee, R.W.

    1982-11-01

    Absorption of laser light in a plasma by inverse bremsstrahlung, I.B., can lead to a non-Maxwellian velocity distribution provided the electron-elecron collision frequency is too low to equilibrate the velocity distribution in the coronal plasma region of a laser heated aluminum disk by measuring the radiation recombination continuum. The experiments are performed using lambda/sub L/ = 0.532 μm laser light at intensities of approx. 10 16 W/cm 2 . Such parameters are predicted to produce conditions suitable for a non-thermal electron distribution. The shape of the K-shell recombination radiation has been measured using a time-resolved x-ray spectrograph. The electron distribution can be determined from deconvolution of the recombination continuum shape

  18. Rocket measurements of relativistic electrons: New features in fluxes, spectra and pitch angle distributions

    International Nuclear Information System (INIS)

    Herrero, F.A.; Baker, D.N.; Goldberg, R.A.

    1991-01-01

    The authors report new features of precipitating relativistic electron fluxes measured on a spinning sounding rocket payload at midday between altitudes of 70 and 130 km in the auroral region (Poker Flat, Alaska, 65.1 degree N, 147.5 degree W, and L = 5.5). The sounding rocket (NASA 33.059) was launched at 21:29 UT on May 13, 1990 during a relativistic electron enhancement event of modest intensity. Electron fluxes were measured for a total of about 210 seconds at energies from 0.1 to 3.8 MeV, while pitch angle was sampled from 0 degree to 90 degree every spin cycle. Flux levels during the initial 90 seconds were about 5 to 8 times higher than in the next 120 seconds, revealing a time scale of more than 100 seconds for large amplitude intensity variations. A shorter time scale appeared for downward electron bursts lasting 10 to 20 seconds. Electrons with energies below about 0.2 MeV showed isotropic pitch angle distributions during most of the first 90 seconds of data, while at higher energies the electrons had highest fluxes near the mirroring angle (90 degree); when they occurred, the noted downward bursts were seen at all energies. Data obtained during the second half of the flight showed little variation in the shape of the pitch angle distribution for energies greater than 0.5 MeV; the flux at 90 degree was about 100 times the flux at 0 degree. They have compared the low altitude fluxes with those measured at geostationary orbit (L = 6.6), and find that the low altitude fluxes are much higher than expected from a simple mapping of a pancake distribution at high altitudes (at the equator). Energy deposition of this modest event is estimated to increase rapidly above 45 km, already exceeding the cosmic ray background at 45 km

  19. A note on extracting electronic stopping from energy spectra of backscattered slow ions applying Bragg's rule

    Science.gov (United States)

    Bruckner, B.; Roth, D.; Goebl, D.; Bauer, P.; Primetzhofer, D.

    2018-05-01

    Electronic stopping measurements in chemically reactive targets, e.g., transition and rare earth metals are challenging. These metals often contain low Z impurities, which contribute to electronic stopping. In this article, we present two ways how one can correct for the presence of impurities in the evaluation of proton and He stopping in Ni for primary energies between 1 and 100 keV, either considering or ignoring the contribution of the low Z impurities to multiple scattering. We find, that for protons either method leads to concordant results, but for heavier projectiles, e.g. He ions, the influence on multiple scattering must not be neglected.

  20. Consequences of the collision symmetry on the observed electron spectra produced by autoionisation

    International Nuclear Information System (INIS)

    Gleizes, A.; Bordenave-Montesquieu, A.; Benoit-Cattin, P.

    1980-01-01

    Some properties of symmetrical collisions observed in the decay of the helium autoionising states by electron emission are reported. They have been seen in the He + on He and the He on He collisional systems within the 7 to 140 keV energy range. Comparison of the excitation processes for the fast and slow atoms is made through the measurement of ejected-electron line shape and angular distributions for various autoionising states. At low energy the symmetry of the two systems is well verified; discrepancies from the symmetry requirements are observed in the angular distributions for the neutral-neutral system at high collision energy. (author)

  1. Study of electron spectra of lanthanide complexes with carbonyl-containing reagents

    International Nuclear Information System (INIS)

    Tishchenko, M.A.; Gerasimenko, G.I.; Markina, A.I.; Tishchenko, V.V.; Rybalka, V.B.; Tsitko, A.S.

    1990-01-01

    Interaction of lanthanide complexes (Ln=Er, Nd, Ho) of 2-acetylindandione-1,3 with polyphenols was investigated by the methods of electron spectroscopy. Position, intensity, oscillator strengths of supersensitive transitions, formed in the system of different-ligand complexes were determined. 10 refs.; 4 figs.; 3 tabs

  2. Complexes of uranyl with N-oxides of heterocyclic amines. Electron-vibrational absorption spectra

    International Nuclear Information System (INIS)

    Jezowska-Trzebiatowska, B.; Wieczorek, M.

    1977-01-01

    A number of coordination compounds formed by uranyl chloride and nitrate with N-oxides of heterocyclic amines have been prepared and characterized by spectral measurements in the absorption region 20000-50000 cm -1 . The electrons and vibronic transitions have been determined and discussed. (author)

  3. Broadband Cooling Spectra of Hot Electrons and Holes in PbSe Quantum Dots

    NARCIS (Netherlands)

    Spoor, F.C.M.; Tomić, Stanko; Houtepen, A.J.; Siebbeles, L.D.A.

    2017-01-01

    Understanding cooling of hot charge carriers in semiconductor quantum dots (QDs) is of fundamental interest and useful to enhance the performance of QDs in photovoltaics. We study electron and hole cooling dynamics in PbSe QDs up to high energies where carrier multiplication occurs. We

  4. Optical transition probabilities in electron-vibration-rotation spectra of diatomic molecules

    International Nuclear Information System (INIS)

    Kuznetsova, L.A.; Kuz'menko, N.E.; Kuzyakov, Yu.Ya.; Plastinin, Yu.A.

    1974-01-01

    The present review systematizes the data on the absolute probabilities of electron transitions in diatomic molecules, which have been published since the beginning of 1961 and up to the end of 1973, and those on the relative transition probabilities, which have been published since the beginning of 1966 till the end of 1973. The review discussed the theoretical relationships underlying the experimental techniques of determining the absolute transition probabilities. Modifications of the techniques under discussion are not specially examined; the details of interest can be found, however, in the references cited. The factual material-, such as the values of the absolute probabilities of electron transitions, the dependences of the electron transition moments on the internuclear distance and the values of the Franck-Condon factors,- is presented in tables 1, 2 and 4, respectively, embracing all the relevant works known to the present authors. Along with a complete systematization of the transition probability data, the authors have attempted a critical analysis of the available data in order to select the most reliable results. The recommended values of the squared matrix elements of the electron transition dipole moments are given in table 3. The last chaper of the work compares the results of calculations of the Franck-Condon factors obtained with the different milecular potentials [ru

  5. Theoretical investigations of the structures and electronic spectra of 8-hydroxylquinoline derivatives

    Science.gov (United States)

    Ning, Pan; Ren, Tiegang; Zhang, Yanxin; Zhang, Jinglai

    2013-11-01

    The spectroscopic properties of 8-hydroxyquinoline derivatives are theoretically investigated by means of density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. The target molecules are divided into two groups: group (I): (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (A), together with corresponding potential reaction products of A with acetic acid, i.e., (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (AR1), and (E)-2-(2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (AR2); group (II): (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol (B), as well as potential reaction products of B with acetic acid, i.e., (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)quinolin-8-yl acetate (BR1), and (E)-2-(2-(1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)vinyl)-8-hydroxyquinolinium (BR2). The geometries are optimized by B3LYP and M06 methods. The results indicate that product molecules tend to be effectively planar compared with reactants. Subsequently, UV absorption spectra are simulated through TD-DFT method with PCM model to further confirm the reasonable products of two reactions. AR2 and BR2 are identified as the target molecules through the experimental spectra for the real products. It is worth noting that the maximum absorption wavelengths of compounds AR2 and BR2 present prominent red shift compared the initial reactants A and B, respectively, which should be ascribed to the enhancive planarity of products that mentioned above and the decreased HOMO-LUMO energy gap. Geometric structures and optical properties for corresponding compounds are discussed in detail.

  6. Dose conversion coefficients for monoenergetic electrons incident on a realistic human eye model with different lens cell populations.

    Science.gov (United States)

    Nogueira, P; Zankl, M; Schlattl, H; Vaz, P

    2011-11-07

    The radiation-induced posterior subcapsular cataract has long been generally accepted to be a deterministic effect that does not occur at doses below a threshold of at least 2 Gy. Recent epidemiological studies indicate that the threshold for cataract induction may be much lower or that there may be no threshold at all. A thorough study of this subject requires more accurate dose estimates for the eye lens than those available in ICRP Publication 74. Eye lens absorbed dose per unit fluence conversion coefficients for electron irradiation were calculated using a geometrical model of the eye that takes into account different cell populations of the lens epithelium, together with the MCNPX Monte Carlo radiation transport code package. For the cell population most sensitive to ionizing radiation-the germinative cells-absorbed dose per unit fluence conversion coefficients were determined that are up to a factor of 4.8 higher than the mean eye lens absorbed dose conversion coefficients for electron energies below 2 MeV. Comparison of the results with previously published values for a slightly different eye model showed generally good agreement for all electron energies. Finally, the influence of individual anatomical variability was quantified by positioning the lens at various depths below the cornea. A depth difference of 2 mm between the shallowest and the deepest location of the germinative zone can lead to a difference between the resulting absorbed doses of up to nearly a factor of 5000 for electron energy of 0.7 MeV.

  7. Dose conversion coefficients for monoenergetic electrons incident on a realistic human eye model with different lens cell populations

    International Nuclear Information System (INIS)

    Nogueira, P; Vaz, P; Zankl, M; Schlattl, H

    2011-01-01

    The radiation-induced posterior subcapsular cataract has long been generally accepted to be a deterministic effect that does not occur at doses below a threshold of at least 2 Gy. Recent epidemiological studies indicate that the threshold for cataract induction may be much lower or that there may be no threshold at all. A thorough study of this subject requires more accurate dose estimates for the eye lens than those available in ICRP Publication 74. Eye lens absorbed dose per unit fluence conversion coefficients for electron irradiation were calculated using a geometrical model of the eye that takes into account different cell populations of the lens epithelium, together with the MCNPX Monte Carlo radiation transport code package. For the cell population most sensitive to ionizing radiation-the germinative cells-absorbed dose per unit fluence conversion coefficients were determined that are up to a factor of 4.8 higher than the mean eye lens absorbed dose conversion coefficients for electron energies below 2 MeV. Comparison of the results with previously published values for a slightly different eye model showed generally good agreement for all electron energies. Finally, the influence of individual anatomical variability was quantified by positioning the lens at various depths below the cornea. A depth difference of 2 mm between the shallowest and the deepest location of the germinative zone can lead to a difference between the resulting absorbed doses of up to nearly a factor of 5000 for electron energy of 0.7 MeV.

  8. Electronic structure and optical absorption spectra of Y2 and Zr2 dimers

    International Nuclear Information System (INIS)

    Gutsev, G.L.

    1989-01-01

    The electron structure, ionization potentials from valent levels and energies of optic transitions of Y 2 and Zr 2 dimers are calculated within the framework of discrete-variatin X α -method. It is shown that the symmetry state 1 Σ g + is the main state of Y 2 and Zr 2 dimers, and the atoms in dimers have high-spin 4d n+1 5s 1 configuration. The chemical binding in Y 2 has the dominating 5s-5s nature which is revealed in a considerable interatomic distance; binding of 4d-electrons brings about a significant decrease in the bond length in Zr 2 dimer. The theoretical spectrum of optical absorption of Zr 2 agrees well with the obtained experimental spectrum of this molecule isolated in the organ matrix

  9. Atlas of point contact spectra of electron-phonon interactions in metals

    CERN Document Server

    Khotkevich, A V

    1995-01-01

    The characteristics of electrical contacts have long attracted the attention of researchers since these contacts are used in every electrical and electronic device. Earlier studies generally considered electrical contacts of large dimensions, having regions of current concentration with diameters substantially larger than the characteristic dimensions of the material: the interatomic distance, the mean free path for electrons, the coherence length in the superconducting state, etc. [110]. The development of microelectronics presented to scientists and engineers the task of studying the characteristics of electrical contacts with ultra-small dimensions. Characteristics of point contacts such as mechanical stability under continuous current loads, the magnitudes of electrical fluctuations, inherent sensitivity in radio devices and nonlinear characteristics in connection with electromagnetic radiation can not be understood and altered in the required way without knowledge of the physical processes occurring in c...

  10. Calculation of electron spectra of stoichiometric and nitrogen-deficient zirconium nitrides

    International Nuclear Information System (INIS)

    Ivashchenko, V.I.; Lisenko, A.A.; Zhurakovskij, E.A.; Bekenev, V.L.

    1984-01-01

    English structure using the method of associated plane waves - linear combinations of atom orbitals - coherent potential (APW-LCAO-CP) are given. The calculation results for ZrN electron spectrum indicate availability of a Zr-N binding and a Zr-N antibonding bands. The Fermi level lies in the antibonding metal band. While deffecting from the stoichiometric content the Fermi level simultaneously with filling the metal band shifts towards the Variation of the main kinetic parameters with increasing defectiveness in nitrogen is explained by increasing the number of antibonding collectivized electrons. Application of the combined method of APW-LCAO-CP gives a rather realistic picture of interatomic interaction in ZrNsub(x)

  11. Electronic structure and optical spectra of semiconducting carbon nanotubes functionalized by diazonium salts

    Science.gov (United States)

    Ramirez, Jessica; Mayo, Michael L.; Kilina, Svetlana; Tretiak, Sergei

    2013-02-01

    We report density functional (DFT) calculations on finite-length semiconducting carbon nanotubes covalently and non-covalently functionalized by aryl diazonium moieties and their chlorinated derivatives. For these systems, we investigate (i) an accuracy of different functionals and basis sets, (ii) a solvent effect, and (iii) the impact of the chemical functionalization on optical properties of nanotubes. In contrast to B3LYP, only long-range-corrected functionals, such as CAM-B3LYP and wB97XD, properly describe the ground and excited state properties of physisorbed molecules. We found that physisorbed cation insignificantly perturbs the optical spectra of nanotubes. In contrast, covalently bound complexes demonstrate strong redshifts and brightening of the lowest exciton that is optically dark in pristine nanotubes. However, the energy and oscillator strength of the lowest state are dictated by the position of the molecule on the nanotube. Thus, if controllable and selective chemical functionalization is realized, the PL of nanotubes could be improved.

  12. Electronic and ionization spectra of 1,1-diamino-2,2-dinitroethylene, FOX-7.

    Science.gov (United States)

    Borges, Itamar

    2014-03-01

    Singlet, triplet and ionized states of the energetic molecule 1,1-diamino-2,2-dinitroethylene, known as FOX-7 or DADNE, were investigated using the symmetry-adapted-cluster configuration interaction (SAC-CI) ab initio wave function. The 20 computed singlet transitions, with 2 exceptions, were bright. The most intense singlet transitions were of the n₀→π type-typical of molecules having nitro groups. Fast intersystem crossing (ISC) from the 1¹A, 2¹A and 8¹A bright singlet transitions is possible. Other feasible ISC processes are discussed. The computed singlet and ionization spectra have similar features when compared to nitramide and N,N-dimethylnitramine molecules, which have only a nitro group. The ionization energies of the first 20 states have differences in comparison with Koopmans' energy values that can reach 3 eV. Moreover, the character of the first ionized states, dominated by single ionizations, is not the same when compared with the character resulting from application of Koopmans' theorem.

  13. Theoretical and experimental study of the electronic states and spectra of LiSb

    Science.gov (United States)

    Setzer, K. D.; Fink, E. H.; Alekseyev, A. B.; Liebermann, H.-P.; Buenker, R. J.

    2018-05-01

    Gas phase emission spectra of the hitherto unknown free radical LiSb were measured in the NIR range with a Fourier-transform spectrometer. The emissions were observed from a fast-flow system in which antimony vapor in argon carrier gas was passed through a microwave discharge and mixed with lithium vapor in an observation tube. A number of blue-degraded bands observed in the range 6200-7800 cm-1 are assigned to transitions from four excited states A21, A30+, A40- and a2 to the X10+ and/or X21 components of the X3Σ- ground state. The 0-0 bands of six transitions were measured at high spectral resolution and rotationally analysed. The rotational and vibrational analyses have yielded the spectroscopic parameters of all six states. In order to aid in the analysis of the experimental data, a series of relativistic configuration interaction calculations has been carried out to obtain potential energy curves and spectroscopic constants for the low-lying states of LiSb as well as electric-dipole transition moments and radiative lifetimes.

  14. The role of ligands in the optical and electronic spectra of CdSe nanoclusters

    Energy Technology Data Exchange (ETDEWEB)

    Kilina, Svletana [Los Alamos National Laboratory; Sergei, Ivanov A [Los Alamos National Laboratory; Victor, Klimov I [Los Alamos National Laboratory; Sergei, Tretiak [Los Alamos National Laboratory

    2008-01-01

    We investigate the impact of ligands on morphology, electronic structure, and optical response of the Cd33Se33 cluster, which already overlapps in size with the smallest synthesized CdSe quantum dots (QDs). Our Density Functional Theory (DFT) calculations demonstrate significant surface reorganization both for the bare cluster and for the cluster capped by amine and phosphine oxide ligand models. We observe strong surface-ligand interactions leading to substantial charge redistribution and polarization effects on the surface. This effect results in the appearance of hybridized states, where the electronic density is spread over the cluster and the ligands. Neither the ligand's nor hybridized molecular orbitals appear as trap states inside or near the band gap of the QD. Instead, being optically dark, dense hybridized states from the edges of the valence and the conduction bands could open new relaxation channels for high energy photoexcitations. Comparing quantum dots passivated by different ligands, we found that hybridized states are denser in at the edge of the conduction band of the cluster ligated with phosphine oxide molecules than that with primary amines. Such a different manifestation of ligand binding may potentially lead to the faster electron relaxation in dots passivated by phosphine oxide than by amine ligands, which is in agreement with experimental data.

  15. Photoelectron and Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} obtained by using monochromatized synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Nagaoka, Shin-ichi, E-mail: nagaoka@ehime-u.ac.jp [Department of Chemistry, Faculty of Science and Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Endo, Hikaru; Nagai, Kanae [Department of Chemistry, Faculty of Science and Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Takahashi, Osamu [Institute for Sustainable Sciences and Development, Hiroshima University, Higashi-Hiroshima 739-8511 (Japan); Tamenori, Yusuke [Synchrotron Radiation Research Institute/SPring-8, 1-1-1 Kouto, Sayo-cho, Sayo-gun 679-5198 (Japan); Suzuki, Isao H. [Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba 305-0801 (Japan); Advanced Institute of Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-08-15

    Highlights: • Various photo- and Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} vapor were measured. • The measured spectra were interpreted with the aid of some calculations. • The spectra showed profiles close to those expected from SiCl{sub 4} and Si(CH{sub 3}){sub 4}. • These results were discussed in conjunction with site-specific fragmentation. - Abstract: A variety of photoelectron and Auger-electron spectra of 1,1,1-trimethyltrichlorodisilane vapor (Cl{sub 3}SiSi(CH{sub 3}){sub 3}) were measured by using monochromatized synchrotron radiation and a hemispherical electron energy analyzer. The measured spectra were interpreted with the aid of some calculations by means of the outer valence Green's function (OVGF) method or the density-functional-theory (DFT) method. Since Cl{sub 3}SiSi(CH{sub 3}){sub 3} consists of -SiCl{sub 3} and -Si(CH{sub 3}){sub 3} moieties, the experimental core-electron binding-energies were compared with those of tetrachlorosilane and tetramethylsilane (SiCl{sub 4} and Si(CH{sub 3}){sub 4}, respectively). This comparison showed that electronic properties of Cl{sub 3}SiSi(CH{sub 3}){sub 3} hold a close correlation with those of SiCl{sub 4} and Si(CH{sub 3}){sub 4}. Si:L{sub 23}VV, Cl:L{sub 23}VV and C:KVV Auger-electron spectra of Cl{sub 3}SiSi(CH{sub 3}){sub 3} also showed profiles close to those expected from the spectra of SiCl{sub 4} and Si(CH{sub 3}){sub 4}. The results obtained here were discussed in conjunction with electronic relaxation leading to site-specific fragmentation.

  16. STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer

    Directory of Open Access Journals (Sweden)

    D. O. Topping

    2017-06-01

    Full Text Available Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA formation is thought to be hampered by the complexity of the system. While there are fundamental models now available that can simulate the tens of thousands of reactions thought to take place, validation against experiments is highly challenging. Techniques capable of identifying individual molecules such as chromatography are generally only capable of quantifying a subset of the material present, making it unsuitable for a carbon budget analysis. Integrative analytical methods such as the Aerosol Mass Spectrometer (AMS are capable of quantifying all mass, but because of their inability to isolate individual molecules, comparisons have been limited to simple data products such as total organic mass and the O : C ratio. More detailed comparisons could be made if more of the mass spectral information could be used, but because a discrete inversion of AMS data is not possible, this activity requires a system of predicting mass spectra based on molecular composition. In this proof-of-concept study, the ability to train supervised methods to predict electron impact ionisation (EI mass spectra for the AMS is evaluated. Supervised Training Regression for the Arbitrary Prediction of Spectra (STRAPS is not built from first principles. A methodology is constructed whereby the presence of specific mass-to-charge ratio (m∕z channels is fitted as a function of molecular structure before the relative peak height for each channel is similarly fitted using a range of regression methods. The widely used AMS mass spectral database is used as a basis for this, using unit mass resolution spectra of laboratory standards. Key to the fitting process is choice of structural information, or molecular fingerprint. Our approach relies on using supervised methods to automatically optimise the relationship between spectral characteristics and these molecular

  17. STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer

    Science.gov (United States)

    Topping, David O.; Allan, James; Rami Alfarra, M.; Aumont, Bernard

    2017-06-01

    Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA) formation is thought to be hampered by the complexity of the system. While there are fundamental models now available that can simulate the tens of thousands of reactions thought to take place, validation against experiments is highly challenging. Techniques capable of identifying individual molecules such as chromatography are generally only capable of quantifying a subset of the material present, making it unsuitable for a carbon budget analysis. Integrative analytical methods such as the Aerosol Mass Spectrometer (AMS) are capable of quantifying all mass, but because of their inability to isolate individual molecules, comparisons have been limited to simple data products such as total organic mass and the O : C ratio. More detailed comparisons could be made if more of the mass spectral information could be used, but because a discrete inversion of AMS data is not possible, this activity requires a system of predicting mass spectra based on molecular composition. In this proof-of-concept study, the ability to train supervised methods to predict electron impact ionisation (EI) mass spectra for the AMS is evaluated. Supervised Training Regression for the Arbitrary Prediction of Spectra (STRAPS) is not built from first principles. A methodology is constructed whereby the presence of specific mass-to-charge ratio (m/z) channels is fitted as a function of molecular structure before the relative peak height for each channel is similarly fitted using a range of regression methods. The widely used AMS mass spectral database is used as a basis for this, using unit mass resolution spectra of laboratory standards. Key to the fitting process is choice of structural information, or molecular fingerprint. Our approach relies on using supervised methods to automatically optimise the relationship between spectral characteristics and these molecular fingerprints. Therefore

  18. Processing and quantification of x-ray energy dispersive spectra in the Analytical Electron Microscope

    International Nuclear Information System (INIS)

    Zaluzec, N.J.

    1988-08-01

    Spectral processing in x-ray energy dispersive spectroscopy deals with the extraction of characteristic signals from experimental data. In this text, the four basic procedures for this methodology are reviewed and their limitations outlined. Quantification, on the other hand, deals with the interpretation of the information obtained from spectral processing. Here the limitations are for the most part instrumental in nature. The prospects of higher voltage operation does not, in theory, present any new problems and may in fact prove to be more desirable assuming that electron damage effects do not preclude analysis. 28 refs., 6 figs

  19. On the exact spectra of two electrons confined by two-dimensional quantum dots

    International Nuclear Information System (INIS)

    Soldatov, A.V.; Bogolubov Jr, N.N.

    2005-12-01

    Applicability of the method of intermediate problems to investigation of the energy spectrum and eigenstates of a two- electron two-dimensional quantum dot (QD) formed by a parabolic confining potential is discussed. It is argued that the method of intermediate problems, which provides convergent improvable lower bound estimates for eigenvalues of linear half-bound Hermitian operators in Hilbert space, can be fused with the classical Rayleigh-Ritz variational method and stochastic variational method thus providing an efficient tool of verification of the results obtained so far by various analytical and numerical methods being of current usage for studies of quantum dot models. (author)

  20. INFRARED AND ULTRAVIOLET SPECTRA OF METHANE DILUTED IN SOLID NITROGEN AND IRRADIATED WITH ELECTRONS DURING DEPOSITION AT VARIOUS TEMPERATURES

    International Nuclear Information System (INIS)

    Chin, Chih-Hao; Chen, Sian-Cong; Liu, Meng-Chen; Huang, Tzu-Ping; Wu, Yu-Jong

    2016-01-01

    We recorded the infrared and ultraviolet absorption spectra of CH 4 :N 2 matrix samples that underwent electron bombardment during deposition in the temperature range of 10–44 K. In contrast to a previous experiment on the IR spectroscopy of electron-bombarded icy samples, methyl and azide radicals became the main products upon electron bombardment during deposition; furthermore, reduced production of nitrile species was observed for deposition at 10 and 20 K. On the other hand, for deposition above 33 K, the observed bands of the radical species (such as methyl and azide) decreased, and bands of large nitriles appeared. This observation may suggest that radical species easily diffuse and recombine to form more complex molecules in solid nitrogen at higher temperatures. Further measurements of similar samples at 10–33 K in the UV region revealed the intense band of azide radicals at 272.5 nm and weak, broad, overlapping features of methyl and azide radicals in the 225–197 nm region. For deposition at 44 K, only a broad feature centered at 219.4 nm was observed, and the possible carriers of nitrile species were proposed based on the corresponding IR spectrum and theoretical predictions of excitation energy. This band is similar to the observed absorption feature of Pluto’s surface recorded by the Hubble telescope in terms of both band position and bandwidth. Our findings therefore further support the suggestion that complex nitrile species may exist on the surface of Pluto.

  1. The effects of solvents and structure on the electronic absorption spectra of the isomeric pyridine carboxylic acid N-oxides

    Directory of Open Access Journals (Sweden)

    Drmanić Saša Ž.

    2013-01-01

    Full Text Available The ultraviolet absorption spectra of the carboxyl group of three isomeric pyridine carboxylic acids N-oxides (picolinic acid N-oxide, nicotinic acid N-oxide and isonicotinic acid N-oxide were determined in fourteen solvents in the wavelength range from 200 to 400 nm. The position of the absorption maxima (λmax of the examined acids showed that the ultraviolet absorption maximum wavelengths of picolinic acid N-oxide are the shortest, and those of isonicotinic acid N-oxide acid are the longest. In order to analyze the solvent effect on the obtained absorption spectra, the ultraviolet absorption frequencies of the electronic transitions in the carboxylic group of the examined acids were correlated using a total solvatochromic equation of the form max = v0 + sπ + aα+ bβ, where υmax is the absorption frequency (1/λmax, p is a measure of the solvent polarity, β represents the scale of solvent hydrogen bond acceptor basicities and α represent the scale of solvent hydrogen bond donor acidities. The correlation of the spectroscopic data was carried out by means of multiple linear regression analysis. The solvent effects on the ultraviolet absorption maximums of the examined acids were discussed.

  2. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra

    Energy Technology Data Exchange (ETDEWEB)

    Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States)

    2016-06-21

    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

  3. Trapped electron spectra in hydrates of sodium, potassium and tetraalkylammonium hydroxides of varying H2O content

    International Nuclear Information System (INIS)

    Zagorski, Z.P.; Grodkowski, J.; Bobrowski, K.

    1980-01-01

    Transient spectra of e - sub(t) in hydrates at room temperature obtained by pulse radiolysis with Cerenkov L.S.M. are presented. The decrease in number of H 2 O molecules n, in KOH.nH 2 O and NaOH.nH 2 O is accompanied by a blue shift of the absorption maximum. The same tendency is observed in concentrated solutions. The shifts in tetraalkylammonium hydroxides are not as extended as in KOH and NaOH systems, because TAAH's coordinate more H 2 O molecules and the preparation of solution of higher concentration is not possible. Freezing of hydrates does not change the e - sub(t) spectrum considerably. The concept of the trap containing one molecule of water and one electron is discussed in the general context of the phenomena. (author)

  4. F region electron density irregularity spectra near Auroral acceleration and shear regions

    International Nuclear Information System (INIS)

    Basu, S.; Basu, S.; MacKenzie, E.; Coley, W.R.; Hanson, W.B.; Lin, C.S.

    1984-01-01

    Spectral characteristics of auroral F region irregularities were studied by the use of high-resolution (approx.35 m) density measurements made by the retarding potential analyzer (RPA) on board the Atmosphere Explorer D (AE-D) satellite during two orbits when the satellite was traversing the high-latitude ionosphere in the evening sector. Coordinated DMSP passes provided synoptic coverage of auroral activity. The auroral energy input was estimated by intergrating the low-energy electron (LEE) data on AE-D. It was found that the one-dimensional in situ spectral index (p 1 ) of the irregularities at scale lengths of 1 values of approx.-3. This is interpreted as resulting from the effects of E region conductivity on the F region irregularity structure. The regions in between the precipitation structures, where presumably the E region conductivity was small, were generally associated with large shears in the horizontal E-W drifts and large velocities, as measured by the ion drift meter on board AE-D. The maximum drifts measured were approx.2 km s -1 , corresponding to an electric field of 100 mV m -1 . The large-velocity regions were also associated with substantial ion heating and electron density depletions. The largest shear magnitudes observed were approx.80 m s -1 km -1 , and the shear gradient scale lengths were approx.10 km, which was approximately the resolution of the ion drift meter data set used. The spectral characteristics of irregularities in the large, variable flow regions were very different, with p 1 being approx.-1

  5. Electronic spectra of DyF studied by four-component relativistic configuration interaction methods

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Shigeyoshi, E-mail: syamamot@lets.chukyo-u.ac.jp [School of International Liberal Studies, Chukyo University, 101-2 Yagoto-Honmachi, Showa-ku, Nagoya 466-8666 (Japan); Tatewaki, Hiroshi [Institute of Advanced Studies in Artificial Intelligence, Chukyo University, Toyota 470-0393 (Japan); Graduate School of Natural Sciences, Nagoya City University, Aichi 467-8501 (Japan)

    2015-03-07

    The electronic states of the DyF molecule below 3.0 eV are studied using 4-component relativistic CI methods. Spinors generated by the average-of-configuration Hartree-Fock method with the Dirac-Coulomb Hamiltonian were used in CI calculations by the KRCI (Kramers-restricted configuration interaction) program. The CI reference space was generated by distributing 11 electrons among the 11 Kramers pairs composed mainly of Dy [4f], [6s], [6p] atomic spinors, and double excitations are allowed from this space to the virtual molecular spinors. The CI calculations indicate that the ground state has the dominant configuration (4f{sup 9})(6s{sup 2})(Ω = 7.5). Above this ground state, 4 low-lying excited states (Ω = 8.5, 7.5, 7.5, 7.5) are found with dominant configurations (4f{sup 10})(6s). These results are consistent with the experimental studies of McCarthy et al. Above these 5 states, 2 states were observed at T{sub 0} = 2.39 eV, 2.52 eV by McCarthy et al. and were named as [19.3]8.5 and [20.3]8.5. McCarthy et al. proposed that both states have dominant configurations (4f{sup 9})(6s)(6p), but these configurations are not consistent with the large R{sub e}’s (∼3.9 a.u.) estimated from the observed rotational constants. The present CI calculations provide near-degenerate states of (4f{sup 10})(6p{sub 3/2,1/2}), (4f{sup 10})(6p{sub 3/2,3/2}), and (4f{sup 9})(6s)(6p{sub 3/2,1/2}) at around 3 eV. The former two states have larger R{sub e} (3.88 a.u.) than the third, so that it is reasonable to assign (4f{sup 10})(6p{sub 3/2,1/2}) to [19.3]8.5 and (4f{sup 10})(6p{sub 3/2,3/2}) to [20.3]8.5.

  6. Correlation of ground-based on topside photometric observations with auroral electron spectra measurements at rocket altitudes

    International Nuclear Information System (INIS)

    Arnoldy, R.L.; Lewis, P.B. Jr.

    1977-01-01

    Spectroscopic measurements of the auroral lines 5577, 4278, and 6300 A made at Fort Yukon, Alaska, are used in the model computations of Rees and Luckey (1974) to predict the energy influx and the characteristic energy of an assumed Maxwellian primary electron spectrum for two auroral displays. Simultaneous with the ground observations, electron detectors aboard a sounding rocket directly measured the primary electron spectrum and energy flux on the field lines which contained the auroral light in the E region observed by the ground photometers (magnetically conjugate in the local sense). For the two auroras studied, the in situ particle measurements show that the model (1) correctly predicts changes in spectral parameters. (2) predicts a precipitated energy flux in good agreement with measured values, and (3) assumes a spectral shape (Maxwellian) not typical of the peaked spectra measured above discrete auroras.One of the rocket flights also carried photometers sensitive to 5577 and 3914 A. Every 0.2 s the photometers sampled the auroral light from the E region magnetically conjugate to the rocket, and they have reaffirmed the very close correlation between emission at 3914 A and that at 5577 A. Finally, by using the measured electron precipitation and current ionospheric models the emissions at 3914, 4278, and 5577 A are calculated. The model computations closely predict the measured light at 3914 and 4278 A. However, the 5577-A emission calculated from dissociative recombination of O 2 + and direct excitation of atomic oxygen using a measured secondary spectrum accounts for only about one third of the observed emission

  7. Compton scattering artifacts in electron excited X-ray spectra measured with a silicon drift detector.

    Science.gov (United States)

    Ritchie, Nicholas W M; Newbury, Dale E; Lindstrom, Abigail P

    2011-12-01

    Artifacts are the nemesis of trace element analysis in electron-excited energy dispersive X-ray spectrometry. Peaks that result from nonideal behavior in the detector or sample can fool even an experienced microanalyst into believing that they have trace amounts of an element that is not present. Many artifacts, such as the Si escape peak, absorption edges, and coincidence peaks, can be traced to the detector. Others, such as secondary fluorescence peaks and scatter peaks, can be traced to the sample. We have identified a new sample-dependent artifact that we attribute to Compton scattering of energetic X-rays generated in a small feature and subsequently scattered from a low atomic number matrix. It seems likely that this artifact has not previously been reported because it only occurs under specific conditions and represents a relatively small signal. However, with the advent of silicon drift detectors and their utility for trace element analysis, we anticipate that more people will observe it and possibly misidentify it. Though small, the artifact is not inconsequential. Under some conditions, it is possible to mistakenly identify the Compton scatter artifact as approximately 1% of an element that is not present.

  8. A comparison of experiment, CEPXS/ONETRAN, TIGERP, and QUICKE2 net electron emission coefficients for various bremsstrahlung spectra

    International Nuclear Information System (INIS)

    Ballard, W.P.; Lorence, L.J. Jr.; Snowden, D.P.; van Lint, V.A.J.; Beale, E.S.

    1987-01-01

    This work compares a carefully designed experiment with the predictions of four different codes (CEPXS/ONETRAN, TIGERP, TIGER and QUICKE2) for the complex bremsstrahlung spectra typical of very intense pulsed power x-ray generators. Accurate calculation of net photon-induced electron emission yields at material interfaces using Monte Carlo codes can be particularly difficult if the forward and reverse partial yields are of similar magnitudes. In such a circumstance, the statistical error in the Monte Carlo solution (TIGER or TIGERP) must be kept to a minimum to accurately resolve the difference. CEPXS/ONETRAN is a new deterministic coupled electron/photon transport code that is faster than Monte Carlo and is not subject to statistical error. QUICKE2 evaluates an analytical approximation and is also much less expensive to run than the Monte Carlo codes. The comparison of net yields is a sensitive test of the relative accuracy and efficiency of these various codes. We find that all of the codes except QUICKE2 substantially agree with the experiments for the forward net yields. Howver, for reverse net yields from high-Z materials, all the codes overpredict relative to measurements

  9. Detailed spectra of high-power broadband microwave radiation from interactions of relativistic electron beams with weakly magnetized plasmas

    International Nuclear Information System (INIS)

    Kato, K.G.; Benford, G.; Tzach, D.

    1983-01-01

    Prodigious quantities of microwave energy distributed uniformly across a wide frequency band are observed when a relativistic electron beam (REB) penetrates a plasma. Typical measured values are 20 MW total for Δνapprox. =40 GHz with preliminary observations of bandwidths as large as 100 GHz. An intense annular pulsed REB (Iapprox. =128 kA; rapprox. =3 cm; Δrapprox. =1 cm; 50 nsec FWHM; γapprox. =3) is sent through an unmagnetized or weakly magnetized plasma column (n/sub plasma/approx.10 13 cm -3 ). Beam-to-plasma densities of 0.01 >ω/sub p/ and weak harmonic structure is wholly unanticipated from Langmuir scattering or soliton collapse models. A model of Compton-like boosting of ambient plasma waves by the beam electrons, with collateral emission of high-frequency photons, qualitatively explains these spectra. Power emerges largely in an angle approx.1/γ, as required by Compton mechanisms. As n/sub b//n/sub p/ falls, ω/sub p/-2ω/sub p/ structure and harmonic power ratios consistent with soliton collapse theories appear. With further reduction of n/sub b//n/sub p/ only the ω/sub p/ line persists

  10. Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates.

    Science.gov (United States)

    Cerezo, Javier; Santoro, Fabrizio

    2016-10-11

    Vertical models for the simulation of spectroscopic line shapes expand the potential energy surface (PES) of the final state around the equilibrium geometry of the initial state. These models provide, in principle, a better approximation of the region of the band maximum. At variance, adiabatic models expand each PES around its own minimum. In the harmonic approximation, when the minimum energy structures of the two electronic states are connected by large structural displacements, adiabatic models can breakdown and are outperformed by vertical models. However, the practical application of vertical models faces the issues related to the necessity to perform a frequency analysis at a nonstationary point. In this contribution we revisit vertical models in harmonic approximation adopting both Cartesian (x) and valence internal curvilinear coordinates (s). We show that when x coordinates are used, the vibrational analysis at nonstationary points leads to a deficient description of low-frequency modes, for which spurious imaginary frequencies may even appear. This issue is solved when s coordinates are adopted. It is however necessary to account for the second derivative of s with respect to x, which here we compute analytically. We compare the performance of the vertical model in the s-frame with respect to adiabatic models and previously proposed vertical models in x- or Q 1 -frame, where Q 1 are the normal coordinates of the initial state computed as combination of Cartesian coordinates. We show that for rigid molecules the vertical approach in the s-frame provides a description of the final state very close to the adiabatic picture. For sizable displacements it is a solid alternative to adiabatic models, and it is not affected by the issues of vertical models in x- and Q 1 -frames, which mainly arise when temperature effects are included. In principle the G matrix depends on s, and this creates nonorthogonality problems of the Duschinsky matrix connecting the normal

  11. Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

    Science.gov (United States)

    Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.

    2016-04-01

    We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.

  12. Understanding Power Electronics and Electrical Machines in Multidisciplinary Wind Energy Conversion System Courses

    Science.gov (United States)

    Duran, M. J.; Barrero, F.; Pozo-Ruz, A.; Guzman, F.; Fernandez, J.; Guzman, H.

    2013-01-01

    Wind energy conversion systems (WECS) nowadays offer an extremely wide range of topologies, including various different types of electrical generators and power converters. Wind energy is also an application of great interest to students and with a huge potential for engineering employment. Making WECS the main center of interest when teaching…

  13. Electron dose-rate conversion factors for external exposure of the skin from uniformly deposited activity on the body surface

    International Nuclear Information System (INIS)

    Kocher, D.C.; Eckerman, K.F.

    1987-01-01

    Dose-rate conversion factors have been calculated for external exposure of the skin from electrons emitted by sources that are deposited uniformly on the body surface. The dose-rate factors are obtained from electron scaled point kernels developed by Berger. The dose-rate factors are calculated at depths of 4, 8, and 40 mg cm-2 below the body surface as recommended by Whitton, and at a depth of 7 mg cm-2 as recommended in ICRP Publication 26 (ICRP77). The dependence of the dose-rate factors at selected depths on the energy of the emitted electrons is displayed. The dose-rate factors for selected radionuclides of potential importance in radiological assessments are tabulated

  14. Electron Transfer and Geometric Conversion of Co-NO Moiety in Saddled Porphyrins: Implications for Trigger Role of Tetrapyrrole Distortion.

    Science.gov (United States)

    Tang, Min; Yang, Yan; Zhang, Shaowei; Chen, Jiafu; Zhang, Jian; Zhou, Zaichun; Liu, Qiuhua

    2018-01-02

    The electrons of NO and Co are strongly delocalized in normal {Co-NO} 8 species. In this work, {Co-NO} 8 complexes are induced to convert from (Co II ) +• -NO • to Co III -NO - by a core contraction of 0.06 Å in saddled cobalt(II) porphyrins. This intramolecular electron transfer mechanism indicates that nonplanarity of porphyrin is involved in driving conversion of the NO units from electrophilic NO • as a bent geometry to nucleophilic NO - as a linear geometry. This implies that distortion acts as a trigger in enzymes containing tetrapyrrole. The electronic behaviors of the Co II ions and Co-NO moieties were confirmed by X-ray crystallography, EPR spectroscopy, theoretical calculation, UV-vis and IR spectroscopy, and electrochemistry.

  15. Recent Progress in Piezoelectric Conversion and Energy Harvesting Using Nonlinear Electronic Interfaces and Issues in Small Scale Implementation

    Directory of Open Access Journals (Sweden)

    Daniel Guyomar

    2011-06-01

    Full Text Available This paper aims at providing an up-to-date review of nonlinear electronic interfaces for energy harvesting from mechanical vibrations using piezoelectric coupling. The basic principles and the direct application to energy harvesting of nonlinear treatment of the output voltage of the transducers for conversion enhancement will be recalled, and extensions of this approach presented. Latest advances in this field will be exposed, such as the use of intermediate energy tanks for decoupling or initial energy injection for conversion magnification. A comparative analysis of each of these techniques will be performed, highlighting the advantages and drawbacks of the methods, in terms of efficiency, performance under several excitation conditions, complexity of implementation and so on. Finally, a special focus of their implementation in the case of low voltage output transducers (as in the case of microsystems will be presented.

  16. Galactic cosmic ray spectra during solar cycle 23 and 24. Measurement capabilities of the electron proton helium telescope on board SOHO

    Energy Technology Data Exchange (ETDEWEB)

    Kuehl, Patrick; Dresing, Nina; Gieseler, Jan; Heber, Bernd; Klassen, Andreas [Christian-Albrechts Universitaet zu Kiel (Germany)

    2016-07-01

    The solar modulation of galactic cosmic rays (GCR) can be studied in detail by long term variations of the GCR energy spectrum (e.g. on the scales of a solar cycle). With almost 20 years of data, the Electron Proton Helium INstrument (EPHIN) aboard SOHO is well suited for these kind of investigations. Although the design of the instrument is optimized to measure proton and helium isotope spectra up to 50 MeV/nucleon the capability exist that allow to determine energy spectra above 1.5 GeV/nucleon. Therefore we developed a sophisticated inversion method to calculate such proton spectra. The method relies on a GEANT4 Monte Carlo simulation of the instrument and a simplified spacecraft model that calculates the energy response function of EPHIN for electrons, protons and heavier ions. As a result we present galactic cosmic ray spectra from 1995 to 2015. For validation, the derived spectra are compared to AMS, BESS and PAMELA data. Furthermore we discuss the spectra with respect to the solar modulation.

  17. Acetylacetone as an efficient electron shuttle for concerted redox conversion of arsenite and nitrate in the opposite direction.

    Science.gov (United States)

    Chen, Zhihao; Song, Xiaojie; Zhang, Shujuan; Wu, Bingdang; Zhang, Guoyang; Pan, Bingcai

    2017-11-01

    The redox conversion of arsenite and nitrate has direct effects on their potential environment risks. Due to the similar reduction potentials, there are few technologies that can simultaneously oxidize arsenite and reduce nitrate in one process. Here, we demonstrate that a diketone-mediated photochemical process could efficiently do this. A combined experimental and theoretical investigation was conducted to elucidate the mechanisms behind the redox conversion in the UV/acetylacetone (AA) process. Our key finding is that UV irradiation significantly changed the redox potential of AA. The excited AA, 3 (AA)*, acted as a semiquinone radical-like electron shuttle. For arsenite oxidation, the efficiency of 3 (AA)* was 1-2 orders of magnitude higher than those of quinone-type electron shuttles, whereas the consumption of AA was 2-4 orders of magnitude less than those of benzonquinones. The oxidation of arsenite and reduction of nitrate could be both accelerated when they existed together in UV/AA process. The results indicate that small diketones are some neglected but potent electron shuttles of great application potential in regulating aquatic redox reactions with the combination of UV irradiation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Topological insulator materials and nanostructures for future electronics, spintronics and energy conversion

    International Nuclear Information System (INIS)

    Kantser, Valeriu

    2011-01-01

    Two fundamental electrons attributes in materials and nanostructures - charge and spin - determine their electronic properties. The processing of information in conventional electronic devices is based only on the charge of the electrons. Spin electronics, or spintronics, uses the spin of electrons, as well as their charge, to process information. Metals, semiconductors and insulators are the basic materials that constitute the components of electronic devices, and these have been transforming all aspects of society for over a century. In contrast, magnetic metals, half-metals, magnetic semiconductors, dilute magnetic semiconductors and magnetic insulators are the materials that will form the basis for spintronic devices. Materials with topological band structure attributes and having a zero-energy band gap surface states are a special class of these materials that exhibit some fascinating and superior electronic properties compared to conventional materials allowing to combine both charge and spin functionalities. This article reviews a range of topological insulator materials and nanostructures with tunable surface states, focusing on nanolayered and nanowire like structures. These materials and nanostructures all have intriguing physical properties and numerous potential practical applications in spintronics, electronics, optics and sensors.

  19. The development of two Broadband Vibration Energy Harvesters (BVEH) with adaptive conversion electronics

    Science.gov (United States)

    Clingman, Dan J.; Thiesen, Jack

    2017-04-01

    Historically, piezoelectric vibration energy harvesters have been limited to operation at a single, structurally resonant frequency. A piezoceramic energy harvester, such as a bimorph beam, operating at structural resonance exchanges energy between dynamic and strain regimes. This energy exchange increases the coupling between piezoceramic deformation and electrical charge generation. Two BVEH mechanisms are presented that exploit strain energy management to reduce inertial forces needed to deform the piezoceramic, thus increasing the coupling between structural and electrical energy conversion over a broadband vibration spectrum. Broadband vibration excitation produces a non-sinusoidal electrical wave form from the BVEH device. An adaptive energy conversion circuit was developed that exploits a buck converter to capture the complex waveform energy in a form easily used by standard electrical components.

  20. Conversion electron Moessbauer spectroscopic studies on the chemical states of surface layers of corroded tin plates and tin-coated iron plates

    International Nuclear Information System (INIS)

    Kato, Akinori; Endo, Kazutoyo; Sano, Hirotoshi

    1980-01-01

    By means of the conversion electron Moessbauer spectroscopy (CEMS), we studied surface layers of ''tin'' plates and tin-coated iron plates corroded by various acids. Transmission Moessbauer spectra and X-ray diffraction patterns were also measured. Metastannic acid was formed, when the ''tin'' plate was corroded by nitric acid solution. In corrosion by phosphoric acid solution, the X-ray diffractometry revealed the formation of tin(IV) pyrophosphate. In corrosion by various organic acid solutions, the formation of oxides was identified by the 119 Sn CEMS, but not by the X-ray diffractometry because of the too thin corrosion layer. In corrosion of tin-coated iron plates, maleic acid, malonic acid, formic acid, and oxalic acid were used. It was determined by CEMS that the corrosion products caused by these acids were tin(IV) oxides, although they could not be identified by the X-ray diffractometry. CEMS also confirmed that the surface of uncorroded tin-coated iron plate was already oxidized by air. Colorimetric determinations of Sn and Fe dissolved from tin-coated iron plates to various acid solutions confirmed that maleic acid had the strongest corrosion effect among the organic acids studied. (author)

  1. eCAF: A New Tool for the Conversational Analysis of Electronic Communication

    Science.gov (United States)

    Duncan-Howell, Jennifer

    2009-01-01

    Electronic communication is characteristically concerned with "the message" (eM), those who send them (S), and those who receive and read them (R). This relationship could be simplified into the equation eM = S + R. When this simple equation is applied to electronic communication, several elements are added that make this straightforward act of…

  2. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  3. X-ray photoelectron spectra and electronic structure of quasi-one-dimensional SbSeI crystals

    Directory of Open Access Journals (Sweden)

    J.Grigas

    2007-01-01

    Full Text Available The paper presents the X-ray photoelectron spectra (XPS of the valence band (VB and of the principal core levels from the (110 and (001 crystal surfaces for the quasi-one-dimensional high permittivity SbSeI single crystal isostructural to ferroelectric SbSI. The XPS were measured with monochromatized Al Ka radiation in the energy range of 0-1400 eV at room temperature. The VB is located from 1.6 to 20 eV below the Fermi level. Experimental energies of the VB and core levels are compared with the results of theoretical ab initio calculations of the molecular model of the SbSeI crystal. The electronic structure of the VB is revealed. Shifts in the core-level binding energies of surface atoms relative to bulk ones, which show a dependency on surface crystallography, have been observed. The chemical shifts of the core levels (CL in the SbSeI crystal for the Sb, I and Se states are obtained.

  4. Statistical analysis of fragmentation patterns of electron ionization mass spectra of enolized-trimethylsilylated anabolic androgenic steroids

    Science.gov (United States)

    Fragkaki, A. G.; Angelis, Y. S.; Tsantili-Kakoulidou, A.; Koupparis, M.; Georgakopoulos, C.

    2009-08-01

    Anabolic androgenic steroids (AAS) are included in the List of prohibited substances of the World Anti-Doping Agency (WADA) as substances abused to enhance athletic performance. Gas chromatography coupled to mass spectrometry (GC-MS) plays an important role in doping control analyses identifying AAS as their enolized-trimethylsilyl (TMS)-derivatives using the electron ionization (EI) mode. This paper explores the suitability of complementary GC-MS mass spectra and statistical analysis (principal component analysis, PCA and partial least squares-discriminant analysis, PLS-DA) to differentiate AAS as a function of their structural and conformational features expressed by their fragment ions. The results obtained showed that the application of PCA yielded a classification among the AAS molecules which became more apparent after applying PLS-DA to the dataset. The application of PLS-DA yielded a clear separation among the AAS molecules which were, thus, classified as: 1-ene-3-keto, 3-hydroxyl with saturated A-ring, 1-ene-3-hydroxyl, 4-ene-3-keto, 1,4-diene-3-keto and 3-keto with saturated A-ring anabolic steroids. The study of this paper also presents structurally diagnostic fragment ions and dissociation routes providing evidence for the presence of unknown AAS or chemically modified molecules known as designer steroids.

  5. Dose-rate conversion factors for external exposure to photon and electron radiation from radionuclides occurring in routine releases from nuclear fuel cycle facilities

    International Nuclear Information System (INIS)

    Kocher, D.C.

    1980-01-01

    Dose-rate conversion factors for external exposure to photon and electron radiation are calculated for 240 radionuclides of potential importance in routine releases from nuclear fuel cycle facilities. Exposure modes considered are immersion in contaminated air, immersion in contaminated water, and irradiation from a contaminated ground surface. For each exposure mode, dose-rate conversion factors for photons and electrons are calculated for tissue-equivalent material at the body surface of an exposed individual. Dose-rate conversion factors for photons only are calculated for 22 body organs. (author)

  6. Influence of electron-phonon interaction on soliton mediated spin-charge conversion effects in two-component polymer model

    International Nuclear Information System (INIS)

    Sergeenkov, S.; Moraes, F.; Furtado, C.; Araujo-Moreira, F.M.

    2010-01-01

    By mapping a Hubbard-like model describing a two-component polymer in the presence of strong enough electron-phonon interactions (κ) onto the system of two coupled nonlinear Schroedinger equations with U(2) symmetry group, some nontrivial correlations between topological solitons mediated charge Q and spin S degrees of freedom are obtained. Namely, in addition to a charge fractionalization and reentrant like behavior of both Q(κ) and S(κ), the model also predicts a decrease of soliton velocity with κ as well as spin-charge conversion effects which manifest themselves through an explicit S(Q,Ω) dependence (with Ω being a mixing angle between spin-up and spin-down electron amplitudes). A possibility to observe the predicted effects in low-dimensional systems with charge and spin soliton carriers is discussed.

  7. Corrosion of chromatic conversion coatings on Aluminium Alloys in electrical and electronic equipment

    International Nuclear Information System (INIS)

    Razavi, R.Sh.; Shahrabi, T.; Mozafarnia, R.

    2002-01-01

    Chromate conversion coating is applied on aluminum 6061. The optimum conditions for chromate bath composition and immersion time are also obtained for standard requirements provision such as corrosion resistance in salt spray test, electrical resistance and coating quality. The applied coatings are electrochemically tested in sea and distilled water. According to Tafel and cyclic polarization curves, the protection mechanism are evaluated in said environments. This evaluation has shown the formation of passive film layer, contains chromate and alumina on the base. The proper behavior of corrosion and electrical conductivity is probably due to this mechanism

  8. Simulated performance of the in-beam conversion-electron spectrometer, SPICE

    Energy Technology Data Exchange (ETDEWEB)

    Ketelhut, S., E-mail: ketelhut@triumf.ca [TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia, Canada V6T 2A3 (Canada); Evitts, L.J.; Garnsworthy, A.B.; Bolton, C.; Ball, G.C.; Churchman, R. [TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia, Canada V6T 2A3 (Canada); Dunlop, R. [Department of Physics, University of Guelph, Guelph, Ontario, Canada N1G 2W1 (Canada); Hackman, G.; Henderson, R.; Moukaddam, M. [TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia, Canada V6T 2A3 (Canada); Rand, E.T.; Svensson, C.E. [Department of Physics, University of Guelph, Guelph, Ontario, Canada N1G 2W1 (Canada); Witmer, J. [TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia, Canada V6T 2A3 (Canada)

    2014-07-01

    The SPICE spectrometer is a new in-beam electron spectrometer designed to operate in conjunction with the TIGRESS HPGe Clover array at TRIUMF-ISAC. The spectrometer consists of a large area, annular, segmented lithium-drifted silicon electron detector shielded from the target by a photon shield. A permanent magnetic lens directs electrons around the photon shield to the detector. Experiments will be performed utilising Coulomb excitation, inelastic-scattering, transfer and fusion–evaporation reactions using stable and radioactive ion beams with suitable heavy-ion detection. Good detection efficiency can be achieved in a large energy range up to 3500 keV electron energy using several magnetic lens designs which are quickly interchangeable. COMSOL and Geant4 simulations have been used to maximise the detection efficiency. In addition, the simulations have guided the design of components to minimise the contributions from various sources of backgrounds.

  9. Breakdown of the one-electron picture in XPS, XES and AES spectra involving 4s and 4p holes in Pd to Xe

    International Nuclear Information System (INIS)

    Ohno, M.; Wendin, G.

    1981-01-01

    Certain XES spectra of Pd to Xe have been calculated using diagrammatic many-body theory within the framework of a free atom calculation. Both XPS an XES spectra demonstrate breakdown of the one-electron picture of a 4p hole due to strong dynamical grant-Coster Kronig (gCK) fluctuation and decay processes. For a 4s hole, there is a large energy shift due to gCK fluctuation, but an effective one-electron model of the 4s hole is valid. For elements Cd to Te, gCK fluctuation and decay lead to broad continuance spectrum and breakdown of the 4p model. Breakdown of the one-electron, or even quasi-particle, model must occur when 4s and 4p holes are part of multiple vacancies

  10. Spectra of W19 +-W32 + observed in the EUV region between 15 and 55 Å with an electron-beam ion trap

    Science.gov (United States)

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

    2015-07-01

    We present extreme ultraviolet spectra of highly charged tungsten ions (W19 +-W32 + ) in the wavelength range of 15 -55 Å obtained with a compact electron-beam ion trap (CoBIT) and a grazing-incidence spectrometer at the National Institute for Fusion Science. The electron energy dependence of the spectra was investigated for electron energies from 490 to 1320 eV . Identification of the observed lines was aided by collisional-radiative (CR) modeling of CoBIT plasma. Good quantitative agreement was obtained between the CR-modeling results and the experimental observations. The ion charge dependence of the 6 g -4 f ,5 g -4 f ,5 f -4 d ,5 p -4 d , and 4 f -4 d transition wavelengths were measured.

  11. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    International Nuclear Information System (INIS)

    Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

    2006-01-01

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

  12. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

    2006-05-15

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

  13. A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

    Science.gov (United States)

    Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

    2010-03-01

    Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

  14. A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

    International Nuclear Information System (INIS)

    Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

    2010-01-01

    Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

  15. Local moments and electronic correlations in Fe-based Heusler alloys: Kα x-ray emission spectra measurements

    International Nuclear Information System (INIS)

    Svyazhin, Artem; Kurmaev, Ernst; Shreder, Elena; Shamin, Sergey; Sahle, Christoph J.

    2016-01-01

    Heusler alloys are a property-rich class of materials, intensively investigated today from both theoretical and real-world application points of view. In this paper, we attempt to shed light on the role of electronic correlations in the Fe_2MeAl group (where Me represents all 3d elements from Ti to Ni) of Heusler alloys. For this purpose, we have investigated the local moments of iron by means of the x-ray emission spectroscopy technique. To obtain numerical values of local moments, the Kα-FWHM method has been employed for the first time. In every compound of the group, the presence of a local moment on the Fe atom was detected. As has been revealed, the values of these moments are temperature-independent, pointing to an insufficiency of a pure itinerant approach to magnetism in these alloys. We also comprehensively compare the usage of Kβ main lines and Kα spectra as tools for the probing of local moments and point out the significant advantages of the latter. - Highlights: • Local spin moments of iron in Fe_2MeAl (Me = Ti … Ni) Heusler alloys were investigated by means of x-ray emission spectroscopy. • Independence of the local moments from temperature confirms their localized nature. • A local moment value of iron in Fe_2MeAl raises with the atomic number of element Me. • The applicability of the Kα x-ray emission line for extracting local moment values of 3d elements was established.

  16. Thermionic and Photo-excited Electron Emission for Energy Conversion Processes

    Directory of Open Access Journals (Sweden)

    Patrick T. McCarthy

    2014-12-01

    Full Text Available This article describes advances in thermionic and photoemission materials and applications dating back to the work on thermionic emission by Guthrie in 1873 and the photoelectric effect by Hertz in 1887. Thermionic emission has been employed for electron beam generation from Edison’s work with the light bulb to modern day technologies such as scanning and transmission electron microscopy. The photoelectric effect has been utilized in common devices such as cameras and photocopiers while photovoltaic cells continue to be widely successful and further researched. Limitations in device efficiency and materials have thus far restricted large-scale energy generation sources based on thermionic and photoemission. However, recent advances in the fabrication of nanoscale emitters suggest promising routes for improving both thermionic and photo-enhanced electron emission along with newly developed research concepts, e.g., photonically enhanced thermionic emission. However, the abundance of new emitter materials and reduced dimensions of some nanoscale emitters increases the complexity of electron emission theory and engender new questions related to the dimensionality of the emitter. This work presents derivations of basic two and three-dimensional thermionic and photoemission theory along with comparisons to experimentally acquired data. The resulting theory can be applied to many different material types regardless of composition, bulk and surface structure.

  17. Thermionic and Photo-Excited Electron Emission for Energy-Conversion Processes

    Energy Technology Data Exchange (ETDEWEB)

    McCarthy, Patrick T. [Birck Nanotechnology Center, School of Mechanical Engineering, Purdue University, West Lafayette, IN (United States); Reifenberger, Ronald G. [Birck Nanotechnology Center, School of Physics, Purdue University, West Lafayette, IN (United States); Fisher, Timothy S., E-mail: tsfisher@purdue.edu [Birck Nanotechnology Center, School of Mechanical Engineering, Purdue University, West Lafayette, IN (United States)

    2014-12-09

    This article describes advances in thermionic and photo-emission materials and applications dating back to the work on thermionic emission by Guthrie (1873) and the photoelectric effect by Hertz (1893). Thermionic emission has been employed for electron beam generation from Edison’s work with the light bulb to modern day technologies such as scanning and transmission electron microscopy. The photoelectric effect has been utilized in common devices such as cameras and photocopiers while photovoltaic cells continue to be widely successful and further researched. Limitations in device efficiency and materials have thus far restricted large-scale energy generation sources based on thermionic and photoemission. However, recent advances in the fabrication of nanoscale emitters suggest promising routes for improving both thermionic and photo-enhanced electron emission along with newly developed research concepts, e.g., photonically enhanced thermionic emission. However, the abundance of new emitter materials and reduced dimensions of some nanoscale emitters increases the complexity of electron-emission theory and engender new questions related to the dimensionality of the emitter. This work presents derivations of basic two and three-dimensional thermionic and photo-emission theory along with comparisons to experimentally acquired data. The resulting theory can be applied to many different material types regardless of composition, bulk, and surface structure.

  18. High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Riechers, Ricarda Eva Friederike Elisabeth

    2011-03-22

    Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

  19. High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

    International Nuclear Information System (INIS)

    Riechers, Ricarda Eva Friederike Elisabeth

    2011-01-01

    Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

  20. Electron autoradiographic study of intracellular conversion of fatty acids into glycogen in rats with alloxan diabetes

    International Nuclear Information System (INIS)

    Lebkova, N.P.; Bobkov, Y.I.; Gorbonova, V.D.; Kolesova, O.E.

    1985-01-01

    An electron-autoradiographic study was undertaken of the intracellular distribution of hydrogen of fatty acids in alloxan diabetes. Alloxan diabetes was induced in rats; between 2 weeks and 2 months after development of the disease 0.1 ml of tritium-oleic or tritium-arachidonic acid was injected into the caudel vein of the rats. After decapitation, myocardial tissue from the subendocardial zone of the left ventricle, liver tissue, and glycogen isolated from the liver by a biochemical method, were taken for electron-autoradiographic investigation. Analysis of the data showed that a radioactive isotope, injected into the blood stream of the animals in the form of oleic or arachidonic acids, is incorporated into various structures of hepatocytes and cardiomyocytes. Direct proof is obtained to show that glycogen in hepatocytes and cardiomyoctyes of diabetic rats may be formed from fatty acids

  1. ZZ DOSDAT-2, Gamma and Electron Dose Conversion Factor Data Library for Body Organs

    International Nuclear Information System (INIS)

    1983-01-01

    1 - Description of problem or function: Format: DOSDAT-R; Nuclides: gamma-ray and electron dose rates for whole-body and for various body organs (24) for air and water immersion and from ground-surface sources (approximately 500 radioactive nuclides). Origin: DLC-80/DRALIST library of radioactive decay data. The data are used to estimate the gamma-ray and electron dose rates for whole-body and for various body organs (24) for air and water immersion and from ground-surface sources. The data are given for approximately 500 radioactive nuclides. 2 - Method of solution: The data were computed by the CCC-400 DOSAFACTER II code from the DLC-80/DRALIST library of radioactive decay data for approximately 500 nuclides

  2. CESR Conversion Damping Ring Studies of Electron Cloud Instabilities (CESR-TA)

    International Nuclear Information System (INIS)

    Rubin, David L.; Palmer, Mark A.

    2011-01-01

    In the International Linear Collider, two linear accelerators will accelerate bunches of positrons and electrons to over a hundred billion electron volts and collide them in a central detector. In order to obtain useful collision rates, the bunches, each containing twenty billion particles, must be compressed to a cross section of a few nanometers by a few hundred nanometers. In order to prepare these ultra high density bunches, damping rings (DRs) are employed before the linear accelerators. The DRs take the high emittance bunches that are provided by the electron and positron sources and, through the process of radiation damping, squeeze them into ultra low emittance beams that are ready for the main linear accelerators. In the damping rings, a number of effects can prevent the successful preparation of the beams. In the electron ring, an effect known as the fast ion instability can lead to beam growth and, in the positron ring, the build-up of an electron cloud (EC), which interacts with the circulating bunches, can produce the same effect. EC build-up and the subsequent interaction of the cloud with the positron beam in the DR have been identified as major risks for the successful construction of a linear collider. The CESRTA research program at the Cornell Electron Storage Ring (CESR) was developed in order to study the build-up of the EC, the details of its impact on ultra low emittance beams, as well as methods to mitigate the impact of the cloud. In the DR, the EC forms when synchrotron photons radiated from the circulating beam strike the walls of the vacuum chamber, resulting in the emission of photoelectrons. These low energy electrons can be accelerated across the vacuum chamber by the electric field of the beam, and strike the walls, causing the emission of secondary electrons. The secondary electrons are subsequently accelerated into the walls yet again via the same mechanism. The result is that the EC can rapidly begin to fill the vacuum chamber. In

  3. CESR Conversion Damping Ring Studies of Electron Cloud Instabilities (CESR-TA)

    Energy Technology Data Exchange (ETDEWEB)

    Rubin, David L.; Palmer, Mark A.

    2011-08-02

    In the International Linear Collider, two linear accelerators will accelerate bunches of positrons and electrons to over a hundred billion electron volts and collide them in a central detector. In order to obtain useful collision rates, the bunches, each containing twenty billion particles, must be compressed to a cross section of a few nanometers by a few hundred nanometers. In order to prepare these ultra high density bunches, damping rings (DRs) are employed before the linear accelerators. The DRs take the high emittance bunches that are provided by the electron and positron sources and, through the process of radiation damping, squeeze them into ultra low emittance beams that are ready for the main linear accelerators. In the damping rings, a number of effects can prevent the successful preparation of the beams. In the electron ring, an effect known as the fast ion instability can lead to beam growth and, in the positron ring, the build-up of an electron cloud (EC), which interacts with the circulating bunches, can produce the same effect. EC build-up and the subsequent interaction of the cloud with the positron beam in the DR have been identified as major risks for the successful construction of a linear collider. The CESRTA research program at the Cornell Electron Storage Ring (CESR) was developed in order to study the build-up of the EC, the details of its impact on ultra low emittance beams, as well as methods to mitigate the impact of the cloud. In the DR, the EC forms when synchrotron photons radiated from the circulating beam strike the walls of the vacuum chamber, resulting in the emission of photoelectrons. These low energy electrons can be accelerated across the vacuum chamber by the electric field of the beam, and strike the walls, causing the emission of secondary electrons. The secondary electrons are subsequently accelerated into the walls yet again via the same mechanism. The result is that the EC can rapidly begin to fill the vacuum chamber. In

  4. Effect of an electron beam generated in an X-pinch plasma on the structure of the K spectra of multiply charged ions

    International Nuclear Information System (INIS)

    Pikuz, S.A.; Shelkovenko, T.A.; Ramanova, V.M.; Abdallah, J. Jr.; Csanak, G.; Clark, R.E.H.; Faenov, A.Ya.; Skobelev, I.Yu.; Hammer, D.A.

    1997-01-01

    The first experimental studies of an electron beam generated in an X pinch on the XP machine (Cornell University, USA) and the BIN machine (P. N. Lebedev Physical Institute, Russian Academy of Sciences) are reported. It is shown that it is possible in an X pinch to isolate the effect of a plasma-generated electron beam on the multiply charged ion radiation. The intensities of the satellite lines corresponding to Li-, Be-, B-, and C-like ions are calculated for the Al spectrum on the basis of a collisional-radiative model with a non-Maxwellian electron distribution in the plasma. The effect of an electron beam on the multiply charged light ion radiation in an X-pinch plasma is demonstrated. Comparing our calculations with the experimental spectra, we conclude that the present model can be used to estimate the electron beam intensity

  5. Uncertainty and sensitivity analysis of the effect of the mean energy and FWHM of the initial electron fluence on the Bremsstrahlung photon spectra of linear accelerators

    International Nuclear Information System (INIS)

    Juste, B.; Miró, R.; Verdú, G.; Macián, R.

    2012-01-01

    A calculation of the correct dose in radiation therapy requires an accurate description of the radiation source because uncertainties in characterization of the linac photon spectrum are propagated through the dose calculations. Unfortunately, detailed knowledge of the initial electron beam parameters is not readily available, and many researchers adjust the initial electron fluence values by trial-and-error methods. The main goal of this work was to develop a methodology to characterize the fluence of initial electrons before they hit the tungsten target of an Elekta Precise medical linear accelerator. To this end, we used a Monte Carlo technique to analyze the influence of the characteristics of the initial electron beam on the distribution of absorbed dose from a 6 MV linac photon beam in a water phantom. The technique is based on calculations with Software for Uncertainty and Sensitivity Analysis (SUSA) and Monte Carlo simulations with the MCNP5 transport code. The free parameters used in the SUSA calculations were the mean energy and full-width-at-half-maximum (FWHM) of the initial electron distribution. A total of 93 combinations of these parameters gave initial electron fluence configurations. The electron spectra thus obtained were used in a simulation of the electron transport through the target of the linear accelerator, which produced different photon (Bremsstrahlung) spectra. The simulated photon spectra were compared with the 6-MV photon spectrum provided by the linac manufacturer (Elekta). This comparison revealed how the mean energy and FWHM of the initial electron fluence affect the spectrum of the generated photons. This study has made it possible to fine-tune the examined electron beam parameters to obtain the resulted absorbed doses with acceptable accuracy (error <1%). - Highlights: ► Mean energy and radial spread are important parameters for simulating the incident electron beam in radiation therapy. ► Errors in determining the electron

  6. Quantitative analysis of Moessbauer backscatter spectra from multilayer films

    International Nuclear Information System (INIS)

    Bainbridge, J.

    1975-01-01

    The quantitative interpretation of Moessbauer backscatter spectra with particular reference to internal conversion electrons has been treated assuming that electron attenuation in a surface film can be satisfactorily described by a simple exponential law. The theory of Krakowski and Miller has been extended to include multi-layer samples, and a relation between the Moessbauer spectrum area and an individual layer thickness derived. As an example, numerical results are obtained for a duplex oxide film grown on pure iron. (Auth.)

  7. Conversion-electron spectroscopy and gamma-gamma angular correlation measurements in {sup 116}Sn

    Energy Technology Data Exchange (ETDEWEB)

    Cross, D.S.; Pore, J.L.; Andreoiu, C.; Chester, A.S.; Noakes, B.; Starosta, K.; Voss, P. [Simon Fraser University, Department of Chemistry, Burnaby, BC (Canada); Ball, G.C.; Bender, P.C.; Churchman, R.; Garnsworthy, A.B.; Hackman, G.; Miller, D.T. [TRIUMF, Vancouver, BC (Canada); Demand, G.A.; Diaz Varela, A.; Dunlop, R.; Garrett, P.E.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A.T.; Liblong, A.; Svensson, C.E.; Wilson, J.M. [University of Guelph, Department of Physics, Guelph, ON (Canada); Kanungo, R. [Saint Mary' s University, Department of Astronomy and Physics, Halifax, NS (Canada); Petrache, C.M. [CSNSM, CNRS-IN2P3, Universite Paris-Saclay, Orsay (France); Wang, Z.M. [Simon Fraser University, Department of Chemistry, Burnaby, BC (Canada); TRIUMF, Vancouver, BC (Canada); Wood, J.L. [Georgia Institute of Technology, School of Physics, Atlanta, GA (United States); Yates, S.W. [University of Kentucky, Departments of Chemistry and Physics and Astronomy, Lexington, KY (United States)

    2017-11-15

    The {sup 116}Sn nucleus was studied via the β{sup -} decay of {sup 116}In utilizing the 8π spectrometer and its auxiliary detectors at TRIUMF-ISAC. The resulting K-shell conversion coefficients, K/L ratios, and multipole mixing ratios are presented. The 2{sub 3}{sup +} → 2{sub 1}{sup +} 931 keV and 2{sub 2}{sup +} → 2{sub 1}{sup +} 819 keV transition mixing ratios were re-measured and found to be δ = +1.8{sub -0.5}{sup +0.7} and -1.83(8), respectively. Newly measured mixing ratios for transitions among the low-lying I{sup π} = 4{sup +} states in {sup 116}Sn, when combined with γ-ray intensity data, suggest that the 2529 keV 4{sub 2}{sup +} state possesses a neutron broken-pair admixture in addition to its dominant proton 2p-2h component. (orig.)

  8. The molecular, electronic structures and vibrational spectra of metal-free, N,N'-dideuterio and magnesium tetra-2,3-pyridino-porphyrazines: Density functional calculations.

    Science.gov (United States)

    Liu, Zhongqiang; Zhang, Xianxi; Zhang, Yuexing; Li, Renjie; Jiang, Jianzhuang

    2006-10-01

    A theoretical investigation of the fully optimized geometries and electronic structures of the metal-free (TPdPzH(2)), N,N'-dideuterio (TPdPzD(2)), and magnesium (TPdPzMg) tetra-2,3-pyridino-porphyrazine has been conducted based on density functional theory. The optimized geometries at density functional theory level for these compounds are reported here for the first time. A comparison between the different molecules for the geometry, molecular orbital, and atomic charge is made. The substituent effect of the N atoms on the molecular structures of these compounds is discussed. The IR and Raman spectra for these three compounds have also been calculated at density functional B3LYP level using the 6-31G(d) basis set. Detailed assignments of the NH, NM, and pyridine ring vibrational bands in the IR and Raman spectra have been made based on assistance of animated pictures. The simulated IR spectra of TPdPzH(2) are compared with the experimental absorption spectra, and very good consistency has been found. The isotope effect on the IR and Raman spectra is also discussed.

  9. Influence of a photoexcited electron-hole plasma on the Raman scattering spectra of YBa2Cu3Ox single crystals

    International Nuclear Information System (INIS)

    Goncharov, A.F.; Denisov, V.N.; Mavrin, B.N.; Podobedov, V.B.

    1988-01-01

    The Raman spectra of tetragonal YBa 2 Cu 3 O x crystals in the region of ∼500 cm -1 were determined using different power densities I 0 of the exciting radiation of wavelengths 4,880, 5,145, 5,321, and 6,471 angstrom at temperatures 80-300 K. An increase in I 0 revealed changes in the spectra due to interference of the electron continuum with a 470 cm -1 phonon and also due to activation of 560-590 cm -1 dipole vibrations because of interaction of photocarriers with the crystal lattice. An analysis of the spectra yielded the electron-phonon interaction constant. The changes in the spectra were of resonant nature, but they were absent in the case of the excitation wavelengths 5,321 and 6,471 angstrom. A triple multichannel Raman spectrometer, developed by the authors, made it possible to record simultaneously a spectral interval of 500 cm -1 in the range ≥ 25 cm -1 on excitation with cw laser radiation

  10. Conversion electrons from high-statistics β-decay measurements with the 8π spectrometer at TRIUMF-ISAC

    Science.gov (United States)

    Garrett, P. E.; Jigmeddorj, B.; Radich, A. J.; Andreoiu, C.; Ball, G. C.; Bangay, J. C.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Cross, D. S.; Demand, G. A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Garnsworthy, A. B.; Green, K. L.; Hackman, G.; Hadinia, B.; Leach, K. G.; Michetti-Wilson, J.; Orce, J. N.; Rajabali, M. M.; Rand, E. T.; Starosta, K.; Sumithrarachchi, C.; Svensson, C. E.; Triambak, S.; Wang, Z. M.; Williams, S. J.; Wood, J. L.; Wong, J.; Yates, S. W.; Zganjar, E. F.

    2016-09-01

    The 8π spectrometer, located at TRIUMF-ISAC, was the world's most powerful spectrometer dedicated to β-decay studies until its decommissioning in early 2014 for replacement with the GRIFFIN array. An integral part of the 8π spectrometer was the Pentagonal Array for Conversion Electron Spectroscopy (PACES) consisting of 5 Si(Li) detectors used for charged-particle detection. PACES enabled both γ - e- and e- - e- coincidence measurements, which were crucial for increasing the sensitivity for discrete e- lines in the presence of large backgrounds. Examples from a 124Cs decay experiment, where the data were vital for the expansion of the 124Cs decay scheme, are shown. With suffcient statistics, measurements of conversion coeffcients can be used to extract the E0 components of Jπ → Jπ transitions for J ≠ 0, which is demonstrated for data obtained in 110In→110Cd decay. With knowledge of the shapes of the states involved, as obtained, for example, from the use of Kumar-Cline shape invariants, the mixing of the states can be extracted.

  11. Reduced Effectiveness of Interruptive Drug-Drug Interaction Alerts after Conversion to a Commercial Electronic Health Record.

    Science.gov (United States)

    Wright, Adam; Aaron, Skye; Seger, Diane L; Samal, Lipika; Schiff, Gordon D; Bates, David W

    2018-05-15

    Drug-drug interaction (DDI) alerts in electronic health records (EHRs) can help prevent adverse drug events, but such alerts are frequently overridden, raising concerns about their clinical usefulness and contribution to alert fatigue. To study the effect of conversion to a commercial EHR on DDI alert and acceptance rates. Two before-and-after studies. 3277 clinicians who received a DDI alert in the outpatient setting. Introduction of a new, commercial EHR and subsequent adjustment of DDI alerting criteria. Alert burden and proportion of alerts accepted. Overall interruptive DDI alert burden increased by a factor of 6 from the legacy EHR to the commercial EHR. The acceptance rate for the most severe alerts fell from 100 to 8.4%, and from 29.3 to 7.5% for medium severity alerts (P fell by 50.5%, and acceptance of Tier 1 alerts rose from 9.1 to 12.7% (P < 0.01). Changing from a highly tailored DDI alerting system to a more general one as part of an EHR conversion decreased acceptance of DDI alerts and increased alert burden on users. The decrease in acceptance rates cannot be fully explained by differences in the clinical knowledge base, nor can it be fully explained by alert fatigue associated with increased alert burden. Instead, workflow factors probably predominate, including timing of alerts in the prescribing process, lack of differentiation of more and less severe alerts, and features of how users interact with alerts.

  12. The electronic spectra of benzo[b]thiete and transient o-thiobenzoquinonemethide. Spectral assignments on the basis of the electronic spectra of aniline, thiophenol, thioanisole, all-trans-octatetraene and transient o-xylylene in conjunction with quantum-chemical calculations

    Science.gov (United States)

    Schweig, Armin; Diehl, Frank; Kesper, Karl; Meyer, Hermann

    1989-07-01

    The electronic absorption spectra of benzo[b]thiete ( 1) and of transient o-thiobenzoquinonemethide ( 2) have been obtained. Semiempirical valence-electron calculations using the CNDO/S SECI, CNDO/S PERTCI and LNDO/S PERTCI methods and correlation diagrams using suitable reference compounds ad aniline, thiophenol, thioanisole, all-trans-octatetraene and o-xylylene are applied to the interpretation of the spectra. The results clearly reveal 1 as a typically donor-substituted benzene derivative and 2 as a polyene-like system closely related to o-xylylene.

  13. Influence of Doppler and 'Stark' effects on the shape of the autoionization peaks in electron energy spectra produced in ion-atom collisions

    International Nuclear Information System (INIS)

    Gleizes, A.; Benoit-Cattin, P.; Bordenave-Montesquieu, A.; Merchez, H.

    1976-01-01

    A detailed study is given of the influence of the Doppler shift and broadening on the spectra of electrons ejected by autoionization in collisions between heavy particles. General formulae have been obtained which permit the validity of results already published by other authors to be discussed. These results have been applied to the spectra of electrons ejected in He + -He collisions at 15 keV. The variation of the width of the autoionization peaks against ejection angle is well explained by Doppler broadening. On the contrary, the shape of these peaks cannot be due to the Doppler effect but rather to the Stark effect which is also studied in various experimental cases; it has been verified that the latter effect disappears in collisions between neutral particles for which symmetric peaks at 15 keV are obtained. (author)

  14. Conversion of output factor from square field into rectangular field in electron beam

    CERN Document Server

    Wang Jian Hua; Xu Yi Fei

    2002-01-01

    Objective: A simple and accurate calculation method was designed to convert output factor from square field into rectangular field in electron beam, which can be easily implemented in clinical practice. Methods: 6, 12, 15 MeV electron beam, field size 6.0 cm x 7.5 cm, 5.0 cm x 10.0 cm, 6.0 cm x 12.0 cm, TL3000C dosimeter and source-to-surface distance method were used in dose measurement. The measured dose values were compared with the calculated ones from three theoretical equations with the conformation evaluated. Results: The calculated dose values from three theoretical equations differed from the measured ones by 0.23%, 1.30% and 1.10% (6 MeV), 0.63%, 0.90% and 0.73% (12 MeV), 0.50%, 1.80% and 3.40% (15 MeV), conforming best to the equation OUF (X, Y)=[OUF(X,X). OUF(Y,Y)] sup 1 sup / sup 2. When the size of the field was longer than Rp, the difference between the calculated values and measured ones was relatively very small. Conclusions: The output factor in rectangular fields can be accurately calculate...

  15. SU-F-I-24: Feasibility of Magnetic Susceptibility to Relative Electron Density Conversion Method for Radiation Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Ito, K; Kadoya, N; Chiba, M; Matsushita, H; Jingu, K [Tohoku University Graduate School of Medicine, Sendai, Miyagi (Japan); Sato, K; Nagasaka, T; Yamanaka, K [Tohoku University Hospital, Sendai, Miyagi (Japan); Dobashi, S; Takeda, K [Tohoku University, Sendai, Miyagi (Japan)

    2016-06-15

    Purpose: The aim of this study is to develop radiation treatment planning using magnetic susceptibility obtained from quantitative susceptibility mapping (QSM) via MR imaging. This study demonstrates the feasibility of a method for generating a substitute for a CT image from an MRI. Methods: The head of a healthy volunteer was scanned using a CT scanner and a 3.0 T MRI scanner. The CT imaging was performed with a slice thickness of 2.5 mm at 80 and 120 kV (dual-energy scan). These CT images were converted to relative electron density (rED) using the CT-rED conversion table generated by a previous dual-energy CT scan. The CT-rED conversion table was generated using the conversion of the energy-subtracted CT number to rED via a single linear relationship. One T2 star-weighted 3D gradient echo-based sequence with four different echo times images was acquired using the MRI scanner. These T2 star-weighted images were used to estimate the phase data. To estimate the local field map, a Laplacian unwrapping of the phase and background field removal algorithm were implemented to process phase data. To generate a magnetic susceptibility map from the local field map, we used morphology enabled dipole inversion method. The rED map was resampled to the same resolution as magnetic susceptibility, and the magnetic susceptibility-rED conversion table was obtained via voxel-by-voxel mapping between the magnetic susceptibility and rED maps. Results: A correlation between magnetic susceptibility and rED is not observed through our method. Conclusion: Our results show that the correlation between magnetic susceptibility and rED is not observed. As the next step, we assume that the voxel of the magnetic susceptibility map comprises two materials, such as water (0 ppm) and bone (-2.2 ppm) or water and marrow (0.81ppm). The elements of each voxel were estimated from the ratio of the two materials.

  16. Electronic Raman scattering with excitation between localized states observed in the zinc M{sub 2,3} soft x-ray spectra of ZnS

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, L.; Callcott, T.A.; Jia, J.J. [Univ. of Tennessee, Knoxville, TN (United States)] [and others

    1997-04-01

    Zn M{sub 2,3} soft x-ray fluorescence (SXF) spectra of ZnS and ZnS{sub .5}Se{sub .5} excited near threshold show strong inelastic scattering effects that can be explained using a simple model and an inelastic scattering theory based on second order perturbation theory. This scattering is often called electronic resonance Raman scattering. Tulkki and Aberg have developed this theory in detail for atomic systems, but their treatment can be applied to solid systems by utilizing electronic states characteristic of solids rather than of atomic systems.

  17. The front-end data conversion and readout electronics for the CMS ECAL upgrade

    CERN Document Server

    Mazza, Gianni

    2017-01-01

    The High Luminosity LHC (HL-LHC) will require a significant upgrade of the readout electronics for the CMS Electromagnetic Calorimeter (ECAL). The Very Front-End (VFE) output signal will be sampled at 160 MS/s (i.e. four times the current sampling rate) with 13 bit resolution. Therefore, a high-speed, high-resolution ADC is required. Moreover, each readout channel will produce 2.08 Gb/s, thus requiring fast data transmission circuitry. A new readout architecture, based on two 12 bit, 160 MS/s ADCs, lossless data compression algorithms and fast serial links have been developed for the ECAL upgrade. These functions will be integrated in a single ASIC which is currently under design in a commercial CMOS 65 nm technology using radiation damage mitigation techniques.

  18. The front-end data conversion and readout electronics for the CMS ECAL upgrade

    Science.gov (United States)

    Mazza, G.; Cometti, S.

    2018-03-01

    The High Luminosity LHC (HL-LHC) will require a significant upgrade of the readout electronics for the CMS Electromagnetic Calorimeter (ECAL). The Very Front-End (VFE) output signal will be sampled at 160 MS/s (i.e. four times the current sampling rate) with a 13 bits resolution. Therefore, a high-speed, high-resolution ADC is required. Moreover, each readout channel will produce 2.08 Gb/s, thus requiring a fast data transmission circuitry. A new readout architecture, based on two 12 bit, 160 MS/s ADCs, lossless data compression algorithms and fast serial links have been developed for the ECAL upgrade. These functions will be integrated in a single ASIC which is currently under design in a commercial CMOS 65 nm technology using radiation damage mitigation techniques.

  19. Structure of X-ray photoelectron spectra of low-energy and core electrons of Ln(C6H4OCH3COO-3

    Directory of Open Access Journals (Sweden)

    Teterin Yury A.

    2005-01-01

    Full Text Available This paper deals with the results of an X-ray photo electron spectroscopy of lanthanide ortho-metoxybenzoates Ln(C6H4OCH3COO-3, where Ln represents lanthanides La through Lu except for Pm and C6H4OCH3COO- - residuum of ortho-metoxybenzoic acid. The core and outer electron X-ray photo electron spectroscopy spectra in the binding energy range of 0-1250 eV were shown to exhibit a complex, fine structure. The said structure was established due to the outer (0-15 eV binding energy and inner (15-50 eV binding energy valence molecular orbital from the filled Ln5p and O2s atomic shells multiple splitting, many-body perturbation, dynamic effect, etc. The mechanisms of such a fine structure formation were shown to manifest different probabilities in the spectrum of a certain electronic shell. There fore, the fine X-ray photo electron spectroscopy spectral structure resulting from a certain mechanism can be interpreted and its quantitative parameters related to the physical and chemical properties of the studied com pounds (degree of delocalization and participation of Ln4f electrons in the chemical bond, electronic configuration and oxidation states, density of uncoupled electrons on paramagnetic ions, degree of participation of the low binding energy filled electronic shells of lanthanide and ligands information of the outer and in nervalence molecular orbitals, lanthanide close environment structure in amorphous materials, etc.

  20. Reconstruction of energetic electron spectra in the upper atmosphere: balloon observations of auroral X-rays coordinated with measurements from the EISCAT radar

    International Nuclear Information System (INIS)

    Olafsson, K.J.

    1990-08-01

    Energetic electron precipitation in the auroral zone has been studied using coordinated auroral X-ray measurements from balloons, altitude profiles of the ionospheric electron density measured by the EISCAT radar above the balloons, and cosmic noise absorption data from the Scandinavian riometer network. The data were obtained during the Coordinated EISCAT and Balloon Observations (CEBO) campaign in August 1984. The energy spectral variations of both the X-ray fluxes and the primary precipitating electrons were examined for two precipitation events in the morning sector. As far as reasonably can be concluded from observations of magnetic activity in the auroral zone, and from the temporal development of the energy spectra, the two precipitation events can be interpreted in the frame of present models of energetic electron precipitation on the mordning side of the auroral zone. 96 refs., 70 figs., 11 tabs

  1. Momentum spectra of electrons rescattered from rare-gas targets following their extraction by one- and two-color femtosecond laser pulses

    International Nuclear Information System (INIS)

    Ray, D.; Chen Zhangjin; De, S.; Cao, W.; Le, A. T.; Lin, C. D.; Cocke, C. L.; Litvinyuk, I. V.; Kling, M. F.

    2011-01-01

    We have used velocity-map imaging to measure the three-dimensional momenta of electrons rescattered from Xe and Ar following the liberation of the electrons from these atoms by 45 fs, 800 nm intense laser pulses. Strong structure in the rescattering region is observed in both angle and energy, and is interpreted in terms of quantitative rescattering (QRS) theory. Momentum images have also been taken with two-color (800 nm + 400 nm) pulses on Xe targets. A strong dependence of the spectra on the relative phase of the two colors is observed in the rescattering region. Interpretation of the phase dependence using both QRS theory and a full solution to the time-dependent Schroedinger equation shows that the rescattered electrons provide a much more robust method for determining the relative phase of the two colors than do the direct electrons.

  2. Resultados na percepção de fala após conversão do Spectra® para Freedom® Result on speech perception after conversion from Spectra® to Freedom®

    Directory of Open Access Journals (Sweden)

    Ana Tereza de Matos Magalhães

    2012-04-01

    Full Text Available As novas tecnologias do processador Freedom® foram criadas para proporcionar melhorias no processamento do som acústico de entrada, não apenas para novos usuários, como para gerações anteriores de implante coclear. OBJETIVO: Identificar a contribuição da tecnologia do processador de fala Freedom® para implante coclear multicanal, Nucleus22®, no desempenho de percepção de fala no silêncio e no ruído, e nos limiares audiométricos. MATERIAL E MÉTODO: A forma de estudo foi de coorte histórico com corte transversal. Dezessete pacientes preencheram os critérios de inclusão. Antes de iniciar os testes, o último mapa em uso com o Spectra® foi revisto e otimizado e o funcionamento do processador foi verificado. Os testes de fala foram apresentados a 60dBNPS em material gravado: monossílabos; frases em apresentação aberta no silêncio; e no ruído (SNR = 0dB. Foram realizadas audiometrias em campo livre com ambos os processadores de fala. A análise estatística utilizou testes não-paramétricos. RESULTADOS: Quando analisada a contribuição do Freedom® para pacientes com Nucleus22®, observa-se diferença estatisticamente significativa em todos os testes de percepção de fala e em todos os limiares audiométricos. CONCLUSÃO: A tecnologia contribuiu no desempenho de percepção de fala e nos limiares audiométricos dos pacientes usuários de Nucleus22®.New technology in the Freedom® speech processor for cochlear implants was developed to improve how incoming acoustic sound is processed; this applies not only for new users, but also for previous generations of cochlear implants. AIM: To identify the contribution of this technology - the Nucleus 22® - on speech perception tests in silence and in noise, and on audiometric thresholds. METHODS: A cross-sectional cohort study was undertaken. Seventeen patients were selected. The last map based on the Spectra® was revised and optimized before starting the tests. Troubleshooting

  3. A superconducting electron spectrometer

    International Nuclear Information System (INIS)

    Guttormsen, M.; Huebel, H.; Grumbkow, A. von

    1983-03-01

    The set-up and tests of an electron spectrometer for in-beam conversion electron measurements are described. A superconducting solenoid is used to transport the electrons from the target to cooled Si(Li) detectors. The solenoid is designed to produce either a homogeneous axially symmetric field of up to 2 Tesla or a variety of field profiles by powering the inner and outer set of coils of the solenoid separately. The electron trajectories resulting for various field profiles are discussed. In-beam electron spectra taken in coincidence with electrons, gammas and alpha-particles are shown. (Auth.)

  4. Effect of ligand nature and geometry of its surrounding on electron absorption spectra of NpO22+ and PuO22+ compounds

    International Nuclear Information System (INIS)

    Sokolov, E.I.; Tebelev, L.G.; Melkaya, R.F.; Rykov, A.G.

    1981-01-01

    Electron absorption spectra of actinide compounds with the symmetry of the nearest surrounding of actinyl-ions as follows: Dsub(2h)-AnO 2 (NO 3 ) 2 xnH 2 O, AnO 2 (CH 3 COO) 2 x2H 2 O; Dsub(3h)-MAnO 2 (NO 3 ) 3 (M-K, Rb, Cs), NaAnO 2 (CH 3 COO) 3 , (NH 4 ) 4 AnO 2 (CO 3 ) 3 ; Dsub(4h)-Cs 2 AnO 2 Cl 4 , where An-U, Np, Pb, are measured at room temperature. It is established that position, intensity and form of absorption bands in neptunyl compound spectra are sensible equally to geometry of coordination sphere and to ligand nature. The character of the change of plutonyl compound spectra is the same as of neptunyl ones: it is determined both by surrounding geometry and chemical nature of ligands. It is shown that in the near infrared region ligand effect on plutonyl compound spectra with the symmetry of anion complex Dsub(3h) is weaker than in the visible region

  5. DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state

    Science.gov (United States)

    Hanuza, J.; Godlewska, P.; Lisiecki, R.; Ryba-Romanowski, W.; Kadłubański, P.; Lorenc, J.; Łukowiak, A.; Macalik, L.; Gerasymchuk, Yu.; Legendziewicz, J.

    2018-05-01

    The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln = Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass.

  6. Determination of equilibrium structures of bromothymol blue revealed by using quantum chemistry with an aid of multivariate analysis of electronic absorption spectra.

    Science.gov (United States)

    Shimada, Toru; Hasegawa, Takeshi

    2017-10-05

    The pH dependent chemical structures of bromothymol blue (BTB), which have long been under controversy, are determined by employing a combined technique of multivariate analysis of electronic absorption spectra and quantum chemistry. Principle component analysis (PCA) of the pH dependent spectra apparently reveals that only two chemical species are adequate to fully account for the color changes, with which the spectral decomposition is readily performed by using augmented alternative least-squares (ALS) regression analysis. The quantity variation by the ALS analysis also reveals the practical acid dissociation constant, pK a '. The determination of pK a ' is performed for various ionic strengths, which reveals the thermodynamic acid constant (pK a =7.5) and the number of charge on each chemical species; the yellow form is negatively charged species of -1 and the blue form that of -2. On this chemical information, the quantum chemical calculation is carried out to find that BTB molecules take the pure quinoid form in an acid solution and the quinoid-phenolate form in an alkaline solution. The time-dependent density functional theory (TD-DFT) calculations for the theoretically determined chemical structures account for the peak shift of the electronic spectra. In this manner, the structures of all the chemical species appeared in equilibrium have finally been confirmed. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Determination of equilibrium structures of bromothymol blue revealed by using quantum chemistry with an aid of multivariate analysis of electronic absorption spectra

    Science.gov (United States)

    Shimada, Toru; Hasegawa, Takeshi

    2017-10-01

    The pH dependent chemical structures of bromothymol blue (BTB), which have long been under controversy, are determined by employing a combined technique of multivariate analysis of electronic absorption spectra and quantum chemistry. Principle component analysis (PCA) of the pH dependent spectra apparently reveals that only two chemical species are adequate to fully account for the color changes, with which the spectral decomposition is readily performed by using augmented alternative least-squares (ALS) regression analysis. The quantity variation by the ALS analysis also reveals the practical acid dissociation constant, pKa‧. The determination of pKa‧ is performed for various ionic strengths, which reveals the thermodynamic acid constant (pKa = 7.5) and the number of charge on each chemical species; the yellow form is negatively charged species of - 1 and the blue form that of - 2. On this chemical information, the quantum chemical calculation is carried out to find that BTB molecules take the pure quinoid form in an acid solution and the quinoid-phenolate form in an alkaline solution. The time-dependent density functional theory (TD-DFT) calculations for the theoretically determined chemical structures account for the peak shift of the electronic spectra. In this manner, the structures of all the chemical species appeared in equilibrium have finally been confirmed.

  8. Application of Numerical Analysis of the Shape of Electron Paramagnetic Resonance Spectra for Determination of the Number of Different Groups of Radicals in the Burn Wounds

    Directory of Open Access Journals (Sweden)

    Paweł Olczyk

    2017-01-01

    Full Text Available Background. The evidence exists that radicals are crucial agents necessary for the wound regeneration helping to enhance the repair process. Materials and methods. The lineshape of the electron paramagnetic resonance (EPR spectra of the burn wounds measured with the low microwave power (2.2 mW was numerically analyzed. The experimental spectra were fitted by the sum of two and three lines. Results. The number of the lines in the EPR spectrum corresponded to the number of different groups of radicals in the natural samples after thermal treatment. The component lines were described by Gaussian and Lorentzian functions. The spectra of the burn wounds were superposition of three lines different in shape and in linewidths. The best fitting was obtained for the sum of broad Gaussian, broad Lorentzian, and narrow Lorentzian lines. Dipolar interactions between the unpaired electrons widened the broad Gaussian and broad Lorentzian lines. Radicals with the narrow Lorentzian lines existed mainly in the tested samples. Conclusions. The spectral shape analysis may be proposed as a useful method for determining the number of different groups of radicals in the burn wounds.

  9. 3D spectrum imaging of multi-wall carbon nanotube coupled π-surface modes utilising electron energy-loss spectra acquired using a STEM/Enfina system

    International Nuclear Information System (INIS)

    Seepujak, A.; Bangert, U.; Gutierrez-Sosa, A.; Harvey, A.J.; Blank, V.D.; Kulnitskiy, B.A.; Batov, D.V.

    2005-01-01

    Numerous studies have utilised electron energy-loss (EEL) spectra acquired in the plasmon (2-10 eV) regime in order to probe delocalised π-electronic states of multi-wall carbon nanotubes (MWCNTs). Interpretation of electron energy loss (EEL) spectra of MWCNTs in the 2-10 eV regime. Carbon (accepted for publication); Blank et al. J. Appl. Phys. 91 (2002) 1657). In the present contribution, EEL spectra were acquired from a 2D raster defined on a bottle-shaped MWCNT, using a Gatan UHV Enfina system attached to a dedicated scanning transmission electron microscope (STEM). The technique utilised to isolate and sequentially filter each of the volume and surface resonances is described in detail. Utilising a scale for the intensity of a filtered mode enables one to 'see' the distribution of each resonance in the raster. This enables striking 3D resonance-filtered spectrum images (SIs) of π-collective modes to be observed. Red-shift of the lower energy split π-surface resonance provides explicit evidence of π-surface mode coupling predicted for thin graphitic films (Lucas et al. Phys. Rev. B 49 (1994) 2888). Resonance-filtered SIs are also compared to non-filtered SIs with suppressed surface contributions, acquired utilising a displaced collector aperture. The present filtering technique is seen to isolate surface contributions more effectively, and without the significant loss of statistics, associated with the displaced collector aperture mode. Isolation of collective modes utilising 3D resonance-filtered spectrum imaging, demonstrates a valuable method for 'pinpointing' the location of discrete modes in irregularly shaped nanostructures

  10. Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB=ThF(2).

    Science.gov (United States)

    Wang, Xuefeng; Roos, Björn O; Andrews, Lester

    2010-03-14

    Laser-ablated Th atoms react with BF(3) during condensation in excess argon at 6 K to form the first actinide borylene (FB=ThF(2)) and actinide-boron multiple bond. Three new product absorptions in the B-F and Th-F stretching regions of matrix infrared spectra are assigned to FB=ThF(2) from comparison to theoretically predicted vibrational frequencies.

  11. Interaction of hydrated electron with dietary flavonoids and phenolic acids. Rate constants and transient spectra studied by pulse radiolysis

    International Nuclear Information System (INIS)

    Cai, Zhongli; Li, Xifeng; Katsumura, Yosuke

    2000-01-01

    The reaction rate constants and transient spectra of 11 flavonoids and 4 phenolic acids reacting with e aq - at neutral pH were measured. The results suggest that C 4 keto group is the active site for e aq - to attack on flavonoids and phenolic acids, while the o-dihydroxy structure in B-ring, the C 2,3 double bond, the C 3 -OH group and glycosylation have little effects on the e aq - scavenging activities. (author)

  12. Pseudo-random generator to allow to an electronic pulse simulator the ability to emulate radioisotopes spectra

    International Nuclear Information System (INIS)

    Lucianna F A; Carrillo M A; Mangussi M J

    2012-01-01

    The present work describes the development of a pseudo-random system to provide to a simulator pulse of radiation detectors the ability to emit pulses patterns similar to those recorded when measuring actual radioisotope. The idea is that the system can emulate characteristic spectral distributions of known radioisotopes, as well as creating individual spectra for specific purposes. This design is based on an improvement in terms of software from earlier development that only supplied predefined amplitude pulses at constant intervals (author)

  13. Obtaining the conversion curve of CT numbers to electron density from the effective energy of the CT using the dummy SEFM

    International Nuclear Information System (INIS)

    Martin-Viera Cueto, J. A.; Garcia Pareja, S.; Benitez Villegas, E. M.; Moreno Saiz, E. M.; Bodineau Gil, C.; Caudepon Moreno, F.

    2011-01-01

    The objective of this work is to obtain the conversion curve of Hounsfield units (A) versus electron densities using a mannequin with different tissue equivalent materials. This provides for the effective energy beam CT and is used to characterize the linear coefficients of absorption of different materials that comprise the dummy.

  14. Fe-contacts on InAs(100) and InP(100) characterised by conversion electron Mössbauer spectroscopy

    DEFF Research Database (Denmark)

    Damsgaard, Christian Danvad; Gunnlaugsson, H.P; Weyer, G.

    2005-01-01

    We have grown 4 nm thin films of Fe-57 on InAs(100) and InP(100) surfaces by use of MBE and studied the samples by Fe-57 conversion electron Mossbauer spectroscopy. In the case of InAs, the Mossbauer spectrum showed a sextet due to alpha-Fe and a further magnetically split component with slightly...

  15. Analysis of electron-positron momentum spectra of metallic alloys as supported by first-principles calculations

    OpenAIRE

    Folegati, P.; Makkonen, I.; Ferragut, R.; Puska, Martti J.

    2007-01-01

    Electron-positron momentum distributions measured by the coincidence Doppler broadening method can be used in the chemical analysis of the annihilation environment, typically a vacancy-impurity complex in a solid. In the present work, we study possibilities for a quantitative analysis, i.e., for distinguishing the average numbers of different atomic species around the defect. First-principles electronic structure calculations self-consistently determining electron and positron densities and i...

  16. Spectra of electrons emitted as a result of the sticking and annihilation of low energy positrons to the surfaces of graphene and highly oriented pyrolytic graphite (HOPG)

    Science.gov (United States)

    Chrysler, M.; Chirayath, V.; McDonald, A.; Lim, Z.; Shastry, K.; Gladen, R.; Fairchild, A.; Koymen, A.; Weiss, A.

    Positron annihilation induced Auger electron spectroscopy (PAES) was used to study the positron induced low energy electron spectra from HOPG and a sample composed of 6-8 layers of graphene grown on polycrystalline copper. A low energy (~2eV) beam of positrons was used to implant positrons into a surface localized state on the graphene and HOPG samples. Measurements of the energy spectra of the positron induced electrons obtained using a TOF spectrometer indicate the presence of an annihilation induced KLL C Auger peak (at ~263 eV) along with a narrow low energy secondary peak due to an Auger mediated positron sticking (AMPS) process. A broad spectral feature was also observed below ~15 eV which we believe may be due to a VVV C Auger transition not previously observed. The energy dependence of the integrated intensity of the AMPS peak was measured for a series of incident positron kinetic energies ranging from ~1.5 eV up to 11 eV from which the binding energy of the surface localized positron state on graphene and HOPG was estimated. The implication of our results regarding the applicability of AMPS and PAES to the study of graphene surfaces and interfaces will be discussed. This work was supported by NSF Grant No. DMR 1508719 and DMR 1338130.

  17. Simultaneous observations of electron spectra in the auroral zone and near the equatorial plane by the DMSP-5D-F2 and GEOS 1 Satellites

    International Nuclear Information System (INIS)

    Townend, M.

    1984-07-01

    Simultaneous observations of differential particle number fluxes in the auroral region by the DMSP-5D-F2 satellite and in the conjugate equatorial plane by GEOS 1, are studied. It is found that spectra in the precipitation region and in the plasma sheet can be similar, both in shape and magnitude. The features of auroral electron precipitation can be determined by the particle characteristics in the conjugate equatorial plane, and dumping of particles occurs without any significant acceleration by electric fields parallel to the Earth's magnetic field. (authors)

  18. Absorbed dose evaluation of Auger electron-emitting radionuclides: impact of input decay spectra on dose point kernels and S-values.

    Science.gov (United States)

    Falzone, Nadia; Lee, Boon Q; Fernández-Varea, José M; Kartsonaki, Christiana; Stuchbery, Andrew E; Kibédi, Tibor; Vallis, Katherine A

    2017-03-21

    The aim of this study was to investigate the impact of decay data provided by the newly developed stochastic atomic relaxation model BrIccEmis on dose point kernels (DPKs - radial dose distribution around a unit point source) and S-values (absorbed dose per unit cumulated activity) of 14 Auger electron (AE) emitting radionuclides, namely 67 Ga, 80m Br, 89 Zr, 90 Nb, 99m Tc, 111 In, 117m Sn, 119 Sb, 123 I, 124 I, 125 I, 135 La, 195m Pt and 201 Tl. Radiation spectra were based on the nuclear decay data from the medical internal radiation dose (MIRD) RADTABS program and the BrIccEmis code, assuming both an isolated-atom and condensed-phase approach. DPKs were simulated with the PENELOPE Monte Carlo (MC) code using event-by-event electron and photon transport. S-values for concentric spherical cells of various sizes were derived from these DPKs using appropriate geometric reduction factors. The number of Auger and Coster-Kronig (CK) electrons and x-ray photons released per nuclear decay (yield) from MIRD-RADTABS were consistently higher than those calculated using BrIccEmis. DPKs for the electron spectra from BrIccEmis were considerably different from MIRD-RADTABS in the first few hundred nanometres from a point source where most of the Auger electrons are stopped. S-values were, however, not significantly impacted as the differences in DPKs in the sub-micrometre dimension were quickly diminished in larger dimensions. Overestimation in the total AE energy output by MIRD-RADTABS leads to higher predicted energy deposition by AE emitting radionuclides, especially in the immediate vicinity of the decaying radionuclides. This should be taken into account when MIRD-RADTABS data are used to simulate biological damage at nanoscale dimensions.

  19. Interaction of hydrated electron with dietary flavonoids and phenolic acids. Rate constants and transient spectra studied by pulse radiolysis

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Zhongli; Li, Xifeng; Katsumura, Yosuke [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab

    2000-03-01

    The reaction rate constants and transient spectra of 11 flavonoids and 4 phenolic acids reacting with e{sub aq}{sup -} at neutral pH were measured. The results suggest that C{sub 4} keto group is the active site for e{sub aq}{sup -} to attack on flavonoids and phenolic acids, while the o-dihydroxy structure in B-ring, the C{sub 2,3} double bond, the C{sub 3}-OH group and glycosylation have little effects on the e{sub aq}{sup -} scavenging activities. (author)

  20. New Equations for Calculating Principal and Fine-Structure Atomic Spectra for Single and Multi-Electron Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Surdoval, Wayne A. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Berry, David A. [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Shultz, Travis R. [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2018-03-09

    A set of equations are presented for calculating atomic principal spectral lines and fine-structure energy splits for single and multi-electron atoms. Calculated results are presented and compared to the National Institute of Science and Technology database demonstrating very good accuracy. The equations do not require fitted parameters. The only experimental parameter required is the Ionization energy for the electron of interest. The equations have comparable accuracy and broader applicability than the single electron Dirac equation. Three Appendices discuss the origin of the new equations and present calculated results. New insights into the special relativistic nature of the Dirac equation and its relationship to the new equations are presented.

  1. Detection of undistorted continuous wave (CW) electron paramagnetic resonance (EPR) spectra with non-adiabatic rapid sweep (NARS) of the magnetic field

    Science.gov (United States)

    Kittell, Aaron W.; Camenisch, Theodore G.; Ratke, Joseph J.; Sidabras, Jason W.; Hyde, James S.

    2011-01-01

    A continuous wave (CW) electron paramagnetic resonance (EPR) spectrum is typically displayed as the first harmonic response to the application of 100 kHz magnetic field modulation, which is used to enhance sensitivity by reducing the level of 1/f noise. However, magnetic field modulation of any amplitude causes spectral broadening and sacrifices EPR spectral intensity by at least a factor of two. In the work presented here, a CW rapid-scan spectroscopic technique that avoids these compromises and also provides a means of avoiding 1/f noise is developed. This technique, termed non-adiabatic rapid sweep (NARS) EPR, consists of repetitively sweeping the polarizing magnetic field in a linear manner over a spectral fragment with a small coil at a repetition rate that is sufficiently high that receiver noise, microwave phase noise, and environmental microphonics, each of which has 1/f characteristics, are overcome. Nevertheless, the rate of sweep is sufficiently slow that adiabatic responses are avoided and the spin system is always close to thermal equilibrium. The repetitively acquired spectra from the spectral fragment are averaged. Under these conditions, undistorted pure absorption spectra are obtained without broadening or loss of signal intensity. A digital filter such as a moving average is applied to remove high frequency noise, which is approximately equivalent in bandwidth to use of an integrating time constant in conventional field modulation with lock-in detection. Nitroxide spectra at L- and X-band are presented. PMID:21741868

  2. Artifact suppression in electron paramagnetic resonance imaging of 14N- and 15N-labeled nitroxyl radicals with asymmetric absorption spectra

    Science.gov (United States)

    Takahashi, Wataru; Miyake, Yusuke; Hirata, Hiroshi

    2014-10-01

    This article describes an improved method for suppressing image artifacts in the visualization of 14N- and 15N-labeled nitroxyl radicals in a single image scan using electron paramagnetic resonance (EPR). The purpose of this work was to solve the problem of asymmetric EPR absorption spectra in spectral processing. A hybrid function of Gaussian and Lorentzian lineshapes was used to perform spectral line-fitting to successfully separate the two kinds of nitroxyl radicals. This approach can process the asymmetric EPR absorption spectra of the nitroxyl radicals being measured, and can suppress image artifacts due to spectral asymmetry. With this improved visualization method and a 750-MHz continuous-wave EPR imager, a temporal change in the distributions of a two-phase paraffin oil and water/glycerin solution system was visualized using lipophilic and hydrophilic nitroxyl radicals, i.e., 2-(14-carboxytetradecyl)-2-ethyl-4,4-dimethyl-3-oxazolidinyloxy (16-DOXYL stearic acid) and 4-hydroxyl-2,2,6,6-tetramethylpiperidine-d17-1-15N-1-oxyl (TEMPOL-d17-15N). The results of the two-phase separation experiment verified that reasonable artifact suppression could be achieved by the present method that deals with asymmetric absorption spectra in the EPR imaging of 14N- and 15N-labeled nitroxyl radicals.

  3. Measurement of neutron energy spectra for Eg=23.1 and 26.6 MeV mono-energetic photon induced reaction on natC using laser electron photon beam at NewSUBARU

    Science.gov (United States)

    Itoga, Toshiro; Nakashima, Hiroshi; Sanami, Toshiya; Namito, Yoshihito; Kirihara, Yoichi; Miyamoto, Shuji; Takemoto, Akinori; Yamaguchi, Masashi; Asano, Yoshihiro

    2017-09-01

    Photo-neutron energy spectra for Eg=23.1 and 26.6 MeV mono-energetic photons on natC were measured using laser Compton scattering facility at NewSUBARU BL01. The photon energy spectra were evaluated through measurements and simulations with collimator sizes and arrangements for the laser electron photon. The neutron energy spectra for the natC(g,xn) reaction were measured at 60 degrees in horizontal and 90 degrees in horizontal and vertical with respect to incident photon. The spectra show almost isotropic angular distribution and flat energy distribution from detection threshold to upper limit defined by reaction Q-value.

  4. Reconstruction of energetic electron spectra in the upper atmosphere: balloon observations of auroral X-rays coordinated with measurements from the Eiscat radar

    International Nuclear Information System (INIS)

    Olafsson, K.J.

    1990-01-01

    Energetic electron precipitation in the auroral zone has been studied using coordinated auroral X-ray measurements from balloons, altitude profiles of the ionospheric electron density measured by the EISCAT radar above the balloons, and cosmic noise absorption data from the Scandinavian riometer network. The data were obtained during the coordinated EISCAT and balloon observation campaign in August 1984. A method by which an estimate of the energy spectrum of precipitating energetic electrons can be obtained from balloon measurements of bremsstrahlung X-rays is described. The energy spectral variation of both the X-ray fluxes and the primary precipitating electrons were examined for two precipitation events in the morning sector. As far as reasonably can be concluded from observations of magnetic activity in the auroral zone, and from the temporal development of the energy spectra, the two precipitation events can be interpreted in the frame of present models of energetic electron precipitation on the morning side of the auroral zone. 96 refs

  5. Self-consistent method for quantifying indium content from X-ray spectra of thick compound semiconductor specimens in a transmission electron microscope.

    Science.gov (United States)

    Walther, T; Wang, X

    2016-05-01

    Based on Monte Carlo simulations of X-ray generation by fast electrons we calculate curves of effective sensitivity factors for analytical transmission electron microscopy based energy-dispersive X-ray spectroscopy including absorption and fluorescence effects, as a function of Ga K/L ratio for different indium and gallium containing compound semiconductors. For the case of InGaN alloy thin films we show that experimental spectra can thus be quantified without the need to measure specimen thickness or density, yielding self-consistent values for quantification with Ga K and Ga L lines. The effect of uncertainties in the detector efficiency are also shown to be reduced. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  6. Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of {sup 14}NH{sub 3}{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Yurchenko, Sergei N. [Technische Universitaet Dresden, Institut fuer Physikalische Chemie und Elektrochemie, D-01062 Dresden (Germany); Thiel, Walter [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Muelheim an der Ruhr (Germany); Carvajal, Miguel [Departamento de Fisica Aplicada, Facultad de Ciencias Experimentales, Avenida de las Fuerzas Armadas s/n, Universidad de Huelva, E-21071 Huelva (Spain); Jensen, Per [Theoretische Chemie, Bergische Universitaet, D-42097 Wuppertal (Germany)], E-mail: jensen@uni-wuppertal.de

    2008-05-04

    We report the calculation of a six-dimensional CCSD(T)/aug-cc-pVQZ potential energy surface for the electronic ground state of NH{sub 3}{sup +} together with the corresponding CCSD(T)/aug-cc-pVTZ dipole moment and polarizability surface of {sup 14}NH{sub 3}{sup +}. These electronic properties have been computed on a large grid of molecular geometries. A number of newly calculated band centers are presented along with the associated electric-dipole transition moments. We further report the first calculation of vibrational matrix elements of the polarizability tensor components for {sup 14}NH{sub 3}{sup +}; these matrix elements determine the intensities of Raman transitions. In addition, the rovibrational absorption spectra of the {nu}{sub 2}, {nu}{sub 3}, {nu}{sub 4}, 2{nu}{sub 2}-{nu}{sub 2}, and {nu}{sub 2}+{nu}{sub 3}-{nu}{sub 2} bands have been simulated.

  7. Optical Absorption Spectra and Electronic Properties of Symmetric and Asymmetric Squaraine Dyes for Use in DSSC Solar Cells: DFT and TD-DFT Studies

    Directory of Open Access Journals (Sweden)

    Reda M. El-Shishtawy

    2016-04-01

    Full Text Available The electronic absorption spectra, ground-state geometries and electronic structures of symmetric and asymmetric squaraine dyes (SQD1–SQD4 were investigated using density functional theory (DFT and time-dependent (TD-DFT density functional theory at the B3LYP/6-311++G** level. The calculated ground-state geometries reveal pronounced conjugation in these dyes. Long-range corrected time dependent density functionals Perdew, Burke and Ernzerhof (PBE, PBE1PBE (PBE0, and the exchange functional of Tao, Perdew, Staroverov, and Scuseria (TPSSh with 6-311++G** basis set were employed to examine optical absorption properties. In an extensive comparison between the optical data and DFT benchmark calculations, the BEP functional with 6-311++G** basis set was found to be the most appropriate in describing the electronic absorption spectra. The calculated energy values of lowest unoccupied molecular orbitals (LUMO were 3.41, 3.19, 3.38 and 3.23 eV for SQD1, SQD2, SQD3, and SQD4, respectively. These values lie above the LUMO energy (−4.26 eV of the conduction band of TiO2 nanoparticles indicating possible electron injection from the excited dyes to the conduction band of the TiO2 in dye-sensitized solar cells (DSSCs. Also, aromaticity computation for these dyes are in good agreement with the data obtained optically and geometrically with SQD4 as the highest aromatic structure. Based on the optimized molecular geometries, relative positions of the frontier orbitals, and the absorption maxima, we propose that these dyes are suitable components of photovoltaic DSSC devices.

  8. Novel push-pull fluorescent dyes - 7-(diethylamino)furo- and thieno[3,2-c]coumarins derivatives: structure, electronic spectra and TD-DFT study

    Science.gov (United States)

    Akchurin, Igor O.; Yakhutina, Anna I.; Bochkov, Andrei Y.; Solovjova, Natalya P.; Medvedev, Michael G.; Traven, Valerii F.

    2018-05-01

    Novel push-pull fluorescent dyes - 7-(diethylamino)furo- and 7-(diethylamino)thieno[3,2-c]coumarins derivatives have been synthesized using formyl derivatives of furo- and thieno[3,2-c]coumarins as starting materials. Electron absorption and fluorescent spectra of the dyes have been recorded in different solvents. Structure and solvent effects on the dyes spectral characteristics were analyzed. The fusion of five-membered heterocycle to coumarin provides a definite increase of Stokes shifts in all solvents and results in higher quantum yields of fluorescence. The absorption and emission bands of thieno[3,2-c] coumarin derivatives are definitely shifted to the red region (3-30 nm) compared to similar derivatives of furo[3,2-c]coumarin. TD-DFT calculations of some of the studied compounds have shown that hybrid DFT functionals and adequate representation of molecular environment are essential for obtaining accurate UV-Vis absorption spectra for the dyes with extended π-system. The longest-wave electron transitions in the studied compounds were computationally shown to be of push-pull nature.

  9. Quantum chemical study of the geometrical and electronic structures of ScSi{sub 3}{sup −/0} clusters and assignment of the anion photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Quoc Tri; Tran, Van Tan, E-mail: tvtan@dthu.edu.vn [Theoretical and Physical Chemistry Division, Dong Thap University, 783-Pham Huu Lau, Cao Lanh City, Ward 6, Dong Thap (Viet Nam)

    2016-06-07

    The geometrical and electronic structures of ScSi{sub 3}{sup −/0} clusters have been studied with the B3LYP, CCSD(T), and CASPT2 methods. The ground state of the anionic cluster was evaluated to be the {sup 1}A{sub 1} of rhombic η{sup 2}-(Si{sub 3})Sc{sup −} isomer, whereas that of the neutral cluster was computed to be the {sup 2}A{sub 1} of the same isomer. All features in the 266 and 193 nm photoelectron spectra of ScSi{sub 3}{sup −} cluster were interpreted by the one- and two-electron detachments from the {sup 1}A{sub 1} of rhombic η{sup 2}-(Si{sub 3})Sc{sup −} isomer. The Franck-Condon factor simulation results show that the first broad band starting at 1.78 eV in the spectra comprises several vibrational progression peaks of two totally symmetric modes with the corresponding frequencies of 296 and 354 cm{sup −1}.

  10. Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

    Science.gov (United States)

    Vanicek, Jiri

    2014-03-01

    Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

  11. Initial implementation of the conversion from the energy-subtracted CT number to electron density in tissue inhomogeneity corrections: An anthropomorphic phantom study of radiotherapy treatment planning

    Energy Technology Data Exchange (ETDEWEB)

    Tsukihara, Masayoshi [Division of Radiological Technology, Graduate School of Health Sciences, Niigata University, Niigata 951-8518 (Japan); Noto, Yoshiyuki [Department of Radiology, Niigata University Medical and Dental Hospital, Niigata 951-8520 (Japan); Sasamoto, Ryuta; Hayakawa, Takahide; Saito, Masatoshi, E-mail: masaito@clg.niigata-u.ac.jp [Department of Radiological Technology, School of Health Sciences, Faculty of Medicine, Niigata University, Niigata 951-8518 (Japan)

    2015-03-15

    Purpose: To achieve accurate tissue inhomogeneity corrections in radiotherapy treatment planning, the authors had previously proposed a novel conversion of the energy-subtracted computed tomography (CT) number to an electron density (ΔHU–ρ{sub e} conversion), which provides a single linear relationship between ΔHU and ρ{sub e} over a wide range of ρ{sub e}. The purpose of this study is to present an initial implementation of the ΔHU–ρ{sub e} conversion method for a treatment planning system (TPS). In this paper, two example radiotherapy plans are used to evaluate the reliability of dose calculations in the ΔHU–ρ{sub e} conversion method. Methods: CT images were acquired using a clinical dual-source CT (DSCT) scanner operated in the dual-energy mode with two tube potential pairs and an additional tin (Sn) filter for the high-kV tube (80–140 kV/Sn and 100–140 kV/Sn). Single-energy CT using the same DSCT scanner was also performed at 120 kV to compare the ΔHU–ρ{sub e} conversion method with a conventional conversion from a CT number to ρ{sub e} (Hounsfield units, HU–ρ{sub e} conversion). Lookup tables for ρ{sub e} calibration were obtained from the CT image acquisitions for tissue substitutes in an electron density phantom (EDP). To investigate the beam-hardening effect on dosimetric uncertainties, two EDPs with different sizes (a body EDP and a head EDP) were used for the ρ{sub e} calibration. Each acquired lookup table was applied to two radiotherapy plans designed using the XiO TPS with the superposition algorithm for an anthropomorphic phantom. The first radiotherapy plan was for an oral cavity tumor and the second was for a lung tumor. Results: In both treatment plans, the performance of the ΔHU–ρ{sub e} conversion was superior to that of the conventional HU–ρ{sub e} conversion in terms of the reliability of dose calculations. Especially, for the oral tumor plan, which dealt with dentition and bony structures, treatment

  12. X-ray spectra and electronic structure of the Ca3Ga2Ge3О12 compound

    Science.gov (United States)

    Shcherba, I. D.; Kostyk, L. V.; Noga, H.; Bekenov, L. V.; Uskokovich, D.; Jatsyk, B. M.

    2017-09-01

    The band structure of Ca3Ga2Ge3О12 with the garnet structure has been determined for the first time by X-ray emission and photoelectron spectroscopy. It has been established that the bottom of the valence band is formed by Ge d states, which are not dominant in the chemical bonding. Strong hybridization of oxygen 2s states with 4p states of Ga and Ge revealed by the presence of an extra structure in the X-ray emission spectra has been found. The middle of the valence band has been demonstrated to be occupied by d states of Ga, while Ga and Ge 4рstates with a considerable admixture of oxygen 2p states form the top of the valence band.

  13. High-Intensity Laser-to-Hot-Electron Conversion Efficiency from 1 to 2100 J Using the OMEGA EP Laser System

    Science.gov (United States)

    Nilson, P. M.

    2010-11-01

    Intense laser--matter interactions generate high-current electron beams. The laser-electron conversion efficiency is an important parameter for fast ignition and for developing intense x-ray sources for flash-radiography and x-ray-scattering experiments. These applications may require kilojoules of laser energy focused to greater than 10^18 W/cm^2 with pulse durations of tens of picoseconds. Previous experiments have measured the conversion efficiency with picosecond and subpicosecond laser pulses with energies up to ˜500 J. The research extends conversion-efficiency measurements to 1- to 10-ps laser pulses with energies up to 2100 J using the OMEGA EP Laser System and shows that the conversion efficiency is constant (20±10%) over the entire range The conversion efficiency is measured for interactions with finite-mass, thin-foil targets. A collimated electron jet exits the target rear surface and initiates rapid target charging, causing the majority of laser-accelerated electrons to recirculate (reflux) within the target. The total fast-electron energy is inferred from K-photon spectroscopy. Time-resolved x-ray emission data suggest that electrons are accelerated into the target over the entire laser-pulse duration with approximately constant conversion. This work provides significant insight into high-intensity laser--target interactions. This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement Nos. DE-FC52-08NA28302 and DE-FC02-04ER54789. [4pt] In collaboration with R. Betti, A. A. Solodov (LLE/FSC), R. S. Craxton, J. A. Delettrez, C. Dorrer, L. Gao, P. A. Jaanimagi, J. H. Kelly, B. E. Kruschwitz, D. D. Meyerhofer, J. F. Myatt, T. C. Sangster, C. Stoeckl, W. Theobald, B. Yaakobi, J. D. Zuegel (LLE), A. J. MacKinnon, P. K. Patel (LLNL), K. U. Akli (General Atomics), L. Willingale, K. M. Krushelnick (U. of Michigan).

  14. Powderspec, a program for the efficient simulation of spectra of electron paramagnetic resonance of powders with orthorhombic symmetry

    International Nuclear Information System (INIS)

    Gonzalez T, L.; Beltran L, V.

    1991-09-01

    In this report a FORTRAN source program which simulates the second order powder pattern and spectrum of electron paramagnetic resonance (EPR) in crystal fields with orthorhombic symmetry using Gauss-Legendre quadratures is given. Also the commentaries which describe each step in detail are presented. (Author)

  15. Electron densities in Jupiter’s outer magnetosphere determined from Voyager 1 and 2 plasma wave spectra

    Czech Academy of Sciences Publication Activity Database

    Barnhart, B. L.; Kurth, W. S.; Groene, J. B.; Faden, J. B.; Santolík, Ondřej; Gurnett, D. A.

    2009-01-01

    Roč. 114, - (2009), A05218/1-A05218/14 ISSN 0148-0227 Grant - others: NASA (US) NNG05GG98G Institutional research plan: CEZ:AV0Z30420517 Keywords : Electron densities * Jupiter * magnetosphere * Voyager Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 3.082, year: 2009

  16. Electronic structure and core-level spectra of light actinide dioxides in the dynamical mean-field theory

    Czech Academy of Sciences Publication Activity Database

    Kolorenč, Jindřich; Shick, Alexander; Lichtenstein, A.I.

    2015-01-01

    Roč. 92, č. 8 (2015), "085125-1"-"085125-10" ISSN 1098-0121 R&D Projects: GA ČR GC15-05872J Institutional support: RVO:68378271 Keywords : electronic-structure calculations * dynamical mean-field theory * Mott insulators * actinides * oxides * photoemission Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  17. Electronic structure, optical spectra and contact terms of the CoF64- cluster in LiF

    International Nuclear Information System (INIS)

    Albuquerque, E.L.; Maffeo, B.; Brandi, H.S.; Siqueira, M.L. de

    1975-01-01

    The electronic structure, the optical absorption bands and the magnetic hyperfine contact terms have been calculated for CoF 6 4- in LiF using the Multiple Scattering Xα Method. The results obtained are compared with experiment and once more indicated that this scheme is convenient to treat such complex problems

  18. Many-electron theory of x-ray photoelectron spectra: N-shell linewidths in the 46Pd to 92U range

    International Nuclear Information System (INIS)

    Ohno, M.; Wendin, G.

    1985-01-01

    The linewidths and energies of 4d holes (main lines in x-ray photoelectron spectra) are calculated for a number of elements in the range 70 Yb to 92 U, with use of nonrelativistic atomic many-body theory. The nonrelativistic Hartree-Fock frozen-core approximation for one-electron wave functions and Auger energies gives very good agreement with experiment. In the case of 4s and 4p holes, the Auger (in particular, super-Coster-Kronig) energies have to be calculated with inclusion of relaxation and relativistic effects. Combined with frozen-core, nonrelativistic one-electron wave functions, this gives good agreement with experimental energies and widths for 4s and 4p holes in 80 Hg. In conclusion, it is very important to include the effects of two final-state holes on the Auger electron, as well as the polarization response which screens the Auger emission matrix element. This latter effect is largely equivalent to the so-called exchange interaction between the Auger electron and the final-state holes

  19. Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

    International Nuclear Information System (INIS)

    Grimme, Stefan; Bannwarth, Christoph

    2016-01-01

    The computational bottleneck of the extremely fast simplified Tamm-Dancoff approximated (sTDA) time-dependent density functional theory procedure [S. Grimme, J. Chem. Phys. 138, 244104 (2013)] for the computation of electronic spectra for large systems is the determination of the ground state Kohn-Sham orbitals and eigenvalues. This limits such treatments to single structures with a few hundred atoms and hence, e.g., sampling along molecular dynamics trajectories for flexible systems or the calculation of chromophore aggregates is often not possible. The aim of this work is to solve this problem by a specifically designed semi-empirical tight binding (TB) procedure similar to the well established self-consistent-charge density functional TB scheme. The new special purpose method provides orbitals and orbital energies of hybrid density functional character for a subsequent and basically unmodified sTDA procedure. Compared to many previous semi-empirical excited state methods, an advantage of the ansatz is that a general eigenvalue problem in a non-orthogonal, extended atomic orbital basis is solved and therefore correct occupied/virtual orbital energy splittings as well as Rydberg levels are obtained. A key idea for the success of the new model is that the determination of atomic charges (describing an effective electron-electron interaction) and the one-particle spectrum is decoupled and treated by two differently parametrized Hamiltonians/basis sets. The three-diagonalization-step composite procedure can routinely compute broad range electronic spectra (0-8 eV) within minutes of computation time for systems composed of 500-1000 atoms with an accuracy typical of standard time-dependent density functional theory (0.3-0.5 eV average error). An easily extendable parametrization based on coupled-cluster and density functional computed reference data for the elements H–Zn including transition metals is described. The accuracy of the method termed sTDA-xTB is first

  20. DFT/TD-semiempirical study on the structural and electronic properties and absorption spectra of supramolecular fullerene-porphyrine-metalloporphyrine triads based dye-sensitized solar cells

    Science.gov (United States)

    Rezvani, M.; Darvish Ganji, M.; Jameh-Bozorghi, S.; Niazi, A.

    2018-04-01

    In the present work density functional theory (DFT) and time-dependent semiempirical ZNIDO/S (TD-ZNIDO/S) methods have been used to investigate the ground state geometries, electronic structures and excited state properties of triad systems. The influences of the type of metal in the porphyrin ring, change in bridge position and porphyrine-ZnP duplicate on the energies of frontier molecular orbital and UV-Vis spectra has been studied. Geometry optimization, the energy levels and electron density of the Highest Occupied Molecular Orbital (HOMO) and the Lowest Unoccupied Molecular Orbital (LUMO), chemical hardness (η), electrophilicity index (ω), electron accepting power (ω+) were calculated using ZINDO/S method to predict which molecule is the most efficient with a great capability to be used as a triad molecule in solar industry. Moreover the light harvesting efficiency (LHE) was calculated by means of the oscillator strengths which are obtained by TD-ZINDO/S calculation. Theoretical studies of the electronic spectra by ZINDO/S method were helpful in interpreting the observed electronic transitions. This aspect was systematically explored in a series of C60-Porphyrine-Metalloporphyrine (C60-P-Mp) triad system with M being Fe, Co, Ni, Ti, and Zn. Generally, transition metal coordination compounds are used as effective sensitizers, due to their intense charge-transfer absorption over the whole visible range and highly efficient metal-to-ligand charge transfer. We aim to optimize the performance of the title solar cells by altering the frontier orbital energy gaps. The results reveal that cell efficiency can be enhanced by metal functionalization of the free base porphyrin. Ti-porphyrin was found to be the most efficient dye sensitizer for dye sensitized solar cells (DSSCs) based on C60-P-Mptriad system due to C60-Por-TiP complex has lower chemical hardness, gap energy and chemical potential as well as higher electron accepting power among other complexes. In

  1. Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

    Energy Technology Data Exchange (ETDEWEB)

    Grimme, Stefan, E-mail: grimme@thch.uni-bonn.de; Bannwarth, Christoph [Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Rheinische Friedrich-Wilhelms Universität Bonn, Beringstraße 4, 53115 Bonn (Germany)

    2016-08-07

    The computational bottleneck of the extremely fast simplified Tamm-Dancoff approximated (sTDA) time-dependent density functional theory procedure [S. Grimme, J. Chem. Phys. 138, 244104 (2013)] for the computation of electronic spectra for large systems is the determination of the ground state Kohn-Sham orbitals and eigenvalues. This limits such treatments to single structures with a few hundred atoms and hence, e.g., sampling along molecular dynamics trajectories for flexible systems or the calculation of chromophore aggregates is often not possible. The aim of this work is to solve this problem by a specifically designed semi-empirical tight binding (TB) procedure similar to the well established self-consistent-charge density functional TB scheme. The new special purpose method provides orbitals and orbital energies of hybrid density functional character for a subsequent and basically unmodified sTDA procedure. Compared to many previous semi-empirical excited state methods, an advantage of the ansatz is that a general eigenvalue problem in a non-orthogonal, extended atomic orbital basis is solved and therefore correct occupied/virtual orbital energy splittings as well as Rydberg levels are obtained. A key idea for the success of the new model is that the determination of atomic charges (describing an effective electron-electron interaction) and the one-particle spectrum is decoupled and treated by two differently parametrized Hamiltonians/basis sets. The three-diagonalization-step composite procedure can routinely compute broad range electronic spectra (0-8 eV) within minutes of computation time for systems composed of 500-1000 atoms with an accuracy typical of standard time-dependent density functional theory (0.3-0.5 eV average error). An easily extendable parametrization based on coupled-cluster and density functional computed reference data for the elements H–Zn including transition metals is described. The accuracy of the method termed sTDA-xTB is first

  2. Composition and Structure of Microalgae Indicated in Raman and Hyperspectral Spectra and Scanning Electron Microscopy: from Cyanobacteria to Isolates from Coal-bed Methane Water Ponds

    Science.gov (United States)

    Zhou, X.; Zhou, Z.; Apple, M. E.; Spangler, L.

    2017-12-01

    Microalgae can be used for many potential applications for human's benefits. These potential applications included biofuel production from microalgae, biofiltering to cleaning water, chemical extraction as nutrients, etc. However, exploration for such applications is still in the early stages. For instance, many species and strains of microalgae have been investigated for their lipid content and growing conditions for efficient productions of lipids, but no specific species have yet been chosen as a fuel source for commercial production because of the huge biodiversity and subsequently a wide range of species that can potentially be exploited for biodiesel production, the great variability between species in their fuel precursor producing capabilities. Numerous coal-bed methane water ponds were established in the world as a consequence of coal-bed methane production from deep coal seams. Microalgae were isolated from such ponds and potentially these ponds can be used as venues for algal production. In this study, we characterized chemical composition and structure of the Cyanobacteria Anabaena cylindrica (UTEX # 1611) and isolates from coal-bed methane ponds Nannochloropsis gaditana and PW95 using Laser Raman Spectroscopy (LRS), hyperspectral spectra, and Scanning Electron Microscope (SEM). The objective is to seek bio-indicators for potential applications of these microalgae species. For instance, indicator of rich content lips shows the great potential for biofuel production. Fig.1 shows an example of the Raman spectra of the three species in desiccated form. The spectral peaks were isolated and the corresponding composition was identified. The insert at the right hand of the Raman spectrum of each species is the micrograph of the cell morphology under a microscope. The Raman spectra of cells in aquatic solutions were also obtained and compared with the desiccated form. The hyperspectral reflectances of the three species show quite different characteristics and

  3. Perturbation of the energy loss spectra for an accelerated electron beam due to the photo injector exit

    CERN Document Server

    Salah, W

    2003-01-01

    The influence of the photo-injector exit hall on the energy loss for an accelerated electron beam is investigated, by calculating the total energy transferred from the electrons to the wakefields, which are driven by the beam. The obtained energy loss is compared to those previously obtained for a 'pill-box' cavity. This comparison shows that the influence of this hall, in terms of energy loss, varies over the beam length. It is strongest in the middle of the beam and decreases towards both ends. In consequence of this perturbation, the center of the beam is displaced from its initial position during the first phase (t < 200 ps) where the exit aperture has no effect to a new equilibrium position which takes place at 200 < t < 250 ps. (author)

  4. Spectroscopic and DFT study of solvent effects on the electronic absorption spectra of sulfamethoxazole in neat and binary solvent mixtures

    Science.gov (United States)

    Almandoz, M. C.; Sancho, M. I.; Blanco, S. E.

    2014-01-01

    The solvatochromic behavior of sulfamethoxazole (SMX) was investigated using UV-vis spectroscopy and DFT methods in neat and binary solvent mixtures. The spectral shifts of this solute were correlated with the Kamlet and Taft parameters (α, β and π*). Multiple lineal regression analysis indicates that both specific hydrogen-bond interaction and non specific dipolar interaction play an important role in the position of the absorption maxima in neat solvents. The simulated absorption spectra using TD-DFT methods were in good agreement with the experimental ones. Binary mixtures consist of cyclohexane (Cy)-ethanol (EtOH), acetonitrile (ACN)-dimethylsulfoxide (DMSO), ACN-dimethylformamide (DMF), and aqueous mixtures containing as co-solvents DMSO, ACN, EtOH and MeOH. Index of preferential solvation was calculated as a function of solvent composition and non-ideal characteristics are observed in all binary mixtures. In ACN-DMSO and ACN-DMF mixtures, the results show that the solvents with higher polarity and hydrogen bond donor ability interact preferentially with the solute. In binary mixtures containing water, the SMX molecules are solvated by the organic co-solvent (DMSO or EtOH) over the whole composition range. Synergistic effect is observed in the case of ACN-H2O and MeOH-H2O, indicating that at certain concentrations solvents interact to form association complexes, which should be more polar than the individual solvents of the mixture.

  5. Electronic states in Li/sub c/Mg/sub l-c/ alloys: soft x-ray emission spectra

    International Nuclear Information System (INIS)

    Stocks, G.M.; Tagle, J.A.; Callcott, T.A.; Arakawa, E.T.

    1980-01-01

    A first principles theory is developed for Li-Mg alloy systems which avoids the use of pseudo-potentials and, more importantly, low-order perturbation theory and which can be checked quantitatively against detailed probes of the electronic structure such as soft x-ray spectroscopy. These calculations can then be used as a base against which the psuedo-potential methods can, in the future, be checked

  6. Development of methodology for assessment of absorbed dose and stopping power for low energy conversion electrons; Desenvolvimento de uma metodologia para estimativa da dose absorvida e do poder de freamento para eletrons de conversao de baixa energia

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Ivan Pedro Salati de

    1995-08-01

    The evaluation of absorbed dose in the case of external and internalcontamination due to radionuclides is sometimes hard, because of the difficulties in the assessment of the absorbed dose caused by electrons with energy less than 100 KeV in mucous membrane. In this work, a methodology for assessment of absorbed dose and stopping power in VYNS (co-polymer of polivinyl chloride - acetate) absorbers, for the 62.5 KeV and 84-88 KeV energy {sup 109} Cd conversion electrons, working with a 4 {pi} proportional pressurized detector, is presented. In order to assure the reproducibility of measurement conditions, one of the detector halves has been used to obtain a spectrum of a thin {sup 109} Cd source, without absorber. The other half of the detector was used in concomitance to obtain spectra with different thicknesses if absorber. The absorbed energy was obtained subtracting each spectrum with absorber from the spectrum without absorber, which were stored in a microcomputer connected to signal processing systems by ACE type interface. The VYNS weight and thickness were evaluated using common radionuclide metrology procedures. As VYNS has characteristics similar to a tissue equivalent material, the results obtained are consistent with dosimetric concepts and have a good agreement with those of the literature. (author)

  7. Different effectiveness of hyperthermia with regard to fast electrons and X-rays with different energy spectra

    International Nuclear Information System (INIS)

    Schrader-Reichhardt, U.; Markus, B.

    1981-01-01

    The synergistic enhancement of the irradiation effect by mild (40.5 0 C) and strong (43 0 C) hyperthermia (TER = temperature enhancement ratio) was examined for different sparsely ionizing radiation qualities (15 MeV electrons in two irradiation depths corresponding to a relative depth dose of 100% and 30%, 200-kV and 29-kV-X-rays). Hypotetraploid ( 4n ) and diploid (2n), asynchronous, exponentially growing CHO fibroblasts were used as experimental subjects. The survival in the colony test was used as criterion to assess the effect. The experiments carried out with 4n cells showed that, for the two temperatures, the TER decreases with increasing ionization density and, when applying fast electrons producing an extremely sparse ionization in an irradiation depth of 100%, the TER shows a maximum increase as compared to the more densely ionizing radiation qualities. Already when mild hyperthermia is employed, fast electrons show a TER of 1.25 which rises to about 2.25 at 43 0 C. In case of 29-kV-X-rays, these values amount to 1 and 1.66 respectively. As to the 2n cells, the TER reaches here the double value and seems to be similarly dependent on the ionization density. (orig.) [de

  8. Comparative analysis of the vibrational structure of the absorption spectra of acrolein in the excited ( S 1) electronic state

    Science.gov (United States)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2012-04-01

    The assignments of absorption bands of the vibrational structure of the UV spectrum are compared with the assignments of bands obtained by the CRDS method in a supersonic jet from the time of laser radiation damping for the trans isomer of acrolein in the excited ( S 1) electronic state. The ν00 trans = 25861 cm-1 values and fundamental frequencies, including torsional vibration frequency, obtained by the two methods were found to coincide in the excited electronic state ( S 1) for this isomer. The assignments of several absorption bands of the vibrational structure of the spectrum obtained by the CRDS method were changed. Changes in the assignment of (0-v') transition bands of the torsional vibration of the trans isomer in the Deslandres table from the ν00 trans trans origin allowed the table to be extended to high quantum numbers v'. The torsional vibration frequencies up to v' = 5 were found to be close to the frequencies found by analyzing the vibrational structure of the UV spectrum and calculated quantum-mechanically. The coincidence of the barrier to internal rotation (the cis-trans transition) in the one-dimensional model with that calculated quantum-mechanically using the two-dimensional model corresponds to a planar structure of the acrolein molecule in the excited ( S 1) electronic state.

  9. Electronic structure and spectroscopy of nucleic acid bases: Ionization energies, ionization-induced structural changes, and photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Bravaya, Ksenia B.; Kostko, Oleg; Dolgikh, Stanislav; Landau, Arie; Ahmed, Musahid; Krylov, Anna I.

    2010-08-02

    We report high-level ab initio calculations and single-photon ionization mass spectrometry study of ionization of adenine (A), thymine (T), cytosine (C) and guanine (G). For thymine and adenine, only the lowest-energy tautomers were considered, whereas for cytosine and guanine we characterized five lowest-energy tautomeric forms. The first adiabatic and several vertical ionization energies were computed using equation-of-motion coupled-cluster method for ionization potentials with single and double substitutions. Equilibrium structures of the cationic ground states were characterized by DFT with the {omega}B97X-D functional. The ionization-induced geometry changes of the bases are consistent with the shapes of the corresponding molecular orbitals. For the lowest-energy tautomers, the magnitude of the structural relaxation decreases in the following series G > C > A > T, the respective relaxation energies being 0.41, 0.32, 0.25 and 0.20 eV. The computed adiabatic ionization energies (8.13, 8.89, 8.51-8.67 and 7.75-7.87 eV for A,T,C and G, respectively) agree well with the onsets of the photoionization efficiency (PIE) curves (8.20 {+-} 0.05, 8.95 {+-} 0.05, 8.60 {+-} 0.05 and 7.75 {+-} 0.05 eV). Vibrational progressions for the S{sub 0}-D{sub 0} vibronic bands computed within double-harmonic approximation with Duschinsky rotations are compared with previously reported experimental photoelectron spectra.

  10. Transition radiation spectra of electrons from 1 to 10 GeV/c in regular and irregular radiators

    International Nuclear Information System (INIS)

    Andronic, A.; Appelshaeuser, H.; Bailhache, R.; Baumann, C.; Braun-Munzinger, P.; Bucher, D.; Busch, O.; Catanescu, V.; Chernenko, S.; Christakoglou, P.; Fateev, O.; Freuen, S.; Garabatos, C.; Gottschlag, H.; Gunji, T.; Hamagaki, H.; Herrmann, N.; Hoppe, M.; Lindenstruth, V.; Lippmann, C.; Morino, Y.; Panebratsev, Yu.; Petridis, A.; Petrovici, M.; Rusanov, I.; Sandoval, A.; Saito, S.; Schicker, R.; Soltveit, H.K.; Stachel, J.; Stelzer, H.; Vassiliou, M.; Vulpescu, B.; Wessels, J.P.; Wilk, A.; Yurevich, V.; Zanevsky, Yu.

    2006-01-01

    We present measurements of the spectral distribution of transition radiation generated by electrons of momentum 1-10 GeV/c in different radiator types. We investigate periodic foil radiators and irregular foam and fiber materials. The transition radiation photons are detected by prototypes of the drift chambers to be used in the Transition Radiation Detector (TRD) of the ALICE experiment at CERN, which are filled with a Xe, CO 2 (15%) mixture. The measurements are compared to simulations in order to enhance the quantitative understanding of transition radiation production, in particular the momentum dependence of the transition radiation yield

  11. Hyperfine Interactions in the Electron Paramagnetic Resonance Spectra of Point Defects in Wide-Band-Gap Semiconductors

    Science.gov (United States)

    2014-09-18

    between the 5s electron and the silver nucleus. Breit and Rabi [5] described this hyperfine interaction in the context of the Stern-Gerlach...experiment, and Rabi et al. [6] were the first to directly measure nuclear magnetic moments with this beam technique [7]. 1 quantum angular momentum or spin...interaction matrix can be separated into isotropic and anisotropic parts, A( 14N) → A  1 0 0 0 1 0 0 0 1 + P  -2 5 0 0 0 -2 5 0 0 0 4 5

  12. Simulating signatures of two-dimensional electronic spectra of the Fenna-Matthews-Olson complex: By using a numerical path integral

    International Nuclear Information System (INIS)

    Liang, Xian-Ting

    2014-01-01

    A framework for simulating electronic spectra from photon-echo experiments is constructed by using a numerical path integral technique. This method is non-Markovian and nonperturbative and, more importantly, is not limited by a fixed form of the spectral density functions of the environment. Next, a two-dimensional (2D) third-order electronic spectrum of a dimer system is simulated. The spectrum is in agreement with the experimental and theoretical results previously reported [for example, M. Khalil, N. Demirdöven, and A. Tokmakoff, Phys. Rev. Lett. 90, 047401 (2003)]. Finally, a 2D third-order electronic spectrum of the Fenna-Matthews-Olson (FMO) complex is simulated by using the Debye, Ohmic, and Adolphs and Renger spectral density functions. It is shown that this method can clearly produce the spectral signatures of the FMO complex by using only the Adolphs and Renger spectral density function. Plots of the evolution of the diagonal and cross-peaks show that they are oscillating with the population time

  13. Effects of thermal annealing on the radiation produced electron paramagnetic resonance spectra of bovine and equine tooth enamel: Fossil and modern

    International Nuclear Information System (INIS)

    Weeks, Robert A.; Bogard, James S.; Elam, J. Michael; Weinand, Daniel C.; Kramer, Andrew

    2003-01-01

    The concentration of stable radiation-induced paramagnetic states in fossil teeth can be used as a measure of sample age. Temperature excursions >100 deg. C, however, can cause the paramagnetic state clock to differ from the actual postmortem time. We have heated irradiated enamel from both fossilized bovid and modern equine (MEQ) teeth for 30 min in 50 deg. C increments from 100 to 300 deg. C, measuring the electron paramagnetic resonance (EPR) spectrum after each anneal, to investigate such effects. Samples were irradiated again after the last anneal, with doses of 300-1200 Gy from 60 Co photons, and measured. Two unirradiated MEQ samples were also annealed for 30 min at 300 deg. C, one in an evacuated EPR tube and the other in a tube open to the atmosphere, and subsequently irradiated. The data showed that hyperfine components attributed to the alanine radical were not detected in the irradiated MEQ sample until after the anneals. The spectrum of the MEQ sample heated in air and then irradiated was similar to that of the heat treated fossil sample. We conclude that the hyperfine components are due to sample heating to temperatures/times >100 deg. C/30 min and that similarities between fossil and MEQ spectra after the 300 deg. C/30 min MEQ anneal are also due to sample heating. We conclude that the presence of the hyperfine components in spectra of fossil tooth enamel indicate that such thermal events occurred either at the time of death, or during the postmortem history

  14. A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra

    International Nuclear Information System (INIS)

    Da, B.; Sun, Y.; Ding, Z. J.; Mao, S. F.; Zhang, Z. M.; Jin, H.; Yoshikawa, H.; Tanuma, S.

    2013-01-01

    A reverse Monte Carlo (RMC) method is developed to obtain the energy loss function (ELF) and optical constants from a measured reflection electron energy-loss spectroscopy (REELS) spectrum by an iterative Monte Carlo (MC) simulation procedure. The method combines the simulated annealing method, i.e., a Markov chain Monte Carlo (MCMC) sampling of oscillator parameters, surface and bulk excitation weighting factors, and band gap energy, with a conventional MC simulation of electron interaction with solids, which acts as a single step of MCMC sampling in this RMC method. To examine the reliability of this method, we have verified that the output data of the dielectric function are essentially independent of the initial values of the trial parameters, which is a basic property of a MCMC method. The optical constants derived for SiO 2 in the energy loss range of 8-90 eV are in good agreement with other available data, and relevant bulk ELFs are checked by oscillator strength-sum and perfect-screening-sum rules. Our results show that the dielectric function can be obtained by the RMC method even with a wide range of initial trial parameters. The RMC method is thus a general and effective method for determining the optical properties of solids from REELS measurements.

  15. Deformation effects in electronic spectra of the layered semiconductors TlGaS sub 2 , TlGaSe sub 2 and TlInS sub 2

    CERN Document Server

    Allakhverdiev, K R; Suleymanov, R A; Gasanov, N Z

    2003-01-01

    The deformation effects in electronic spectra of the ternary layered semiconductors TlGaS sub 2 , TlGaSe sub 2 and TlInS sub 2 are considered. It is shown that the influence of hydrostatic pressure, thermal expansion and variation of composition in solid solutions on the band gap of the crystals investigated can be described in the framework of one common model of deformation potentials. This model appears to be close to that of layered semiconductors of the A sub 3 B sub 6 group, attesting to the fact that the main principles of formation of band structure in these two groups of layered crystals are the same.

  16. The influence of microscopic disorder on electron paramagnetic resonance spectra of Eu2+ ions in Pb1-xGexTe

    International Nuclear Information System (INIS)

    Radzynski, T; Lusakowski, A; Swiatek, K; Story, T

    2009-01-01

    In mixed crystals, because of the different ionic radii of cations or anions and the randomness in the placement of ions of different kinds, the crystal lattice is locally deformed. Such local deformations have significant influence on the ground state splitting of magnetic ions. Because this ground state splitting is responsible for the position of the electron paramagnetic resonance (EPR) lines, microscopic disorder is one of the factors which lead to the broadening of the lines, and eventually to their disappearance. This paper is devoted to semi-quantitative analysis of the influence of microscopic disorder on EPR spectra. The theory is compared against measurements performed on mono-crystalline Pb 1-x Ge x Te epitaxial layers containing Eu 2+ ions for different germanium and europium contents. With increasing germanium content we observe gradual disappearance of the EPR lines, although macroscopically, on the basis of x-ray diffraction analysis, each layer might have been considered as a perfect crystal.

  17. Simulation of planar channeling-radiation spectra of relativistic electrons and positrons channeled in a diamond-structure or tungsten single crystal (classical approach)

    International Nuclear Information System (INIS)

    Azadegan, B.; Wagner, W.

    2015-01-01

    We present a Mathematica package for simulation of spectral-angular distributions and energy spectra of planar channeling radiation of relativistic electrons and positrons channeled along major crystallographic planes of a diamond-structure or tungsten single crystal. The program is based on the classical theory of channeling radiation which has been successfully applied to study planar channeling of light charged particles at energies higher than 100 MeV. Continuous potentials for different planes of diamond, Si, Ge and W single crystals are calculated using the Doyle–Turner approximation to the atomic scattering factor and taking thermal vibrations of the crystal atoms into account. Numerical methods are applied to solve the classical one-dimensional equation of motion. The code is designed to calculate the trajectories, velocities and accelerations of electrons (positrons) channeled by the planar continuous potential. In the framework of classical electrodynamics, these data allow realistic simulations of spectral-angular distributions and energy spectra of planar channeling radiation. Since the generated output is quantitative, the results of calculation may be useful, e.g., for setup configuration and crystal alignment in channeling experiments, for the study of the dependence of channeling radiation on the input parameters of particle beams with respect to the crystal orientation, but also for the simulation of positron production by means of pair creation what is mandatory for the design of efficient positron sources necessary in high-energy and collider physics. Although the classical theory of channeling is well established for long time, there is no adequate library program for simulation of channeling radiation up to now, which is commonly available, sufficiently simple and effective to employ and, therefore, of benefit as for special investigations as for a quick overview of basic features of this type of radiation

  18. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-01-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  19. Measurement of lower-hybrid-driven current profile by Abel inversion of electron-cyclotron wave transmission spectra

    International Nuclear Information System (INIS)

    Fidone, I.; Giruzzi, G.; Caron, X.; Meyer, R.L.

    1991-01-01

    A method for measuring the radial profile of the lower-hybrid-driven current in a low-density tokamak plasma using electron-cyclotron wave attenuation is discussed. This diagnostic scheme is reminiscent of the transmission interferometry approach, commonly used in tokamaks to measure the plasma density, but now the wave amplitude instead of the phase is measured. Wave attenuation of the ordinary mode at ω p much-lt ω c along vertical chords is measured; at these frequencies, the waves are absorbed by the superthermal tail sustained by lower-hybrid waves and the local wave absorption coefficient is proportional to the noninductive current density. The radial profile of this current is obtained from Abel inversion. An application to the Tore Supra tokamak is presented

  20. X-ray spectra, chemical bonding, and electron structure of ScM2Si2 (M = Fe, Co, Ni)

    International Nuclear Information System (INIS)

    Shcherba, I.D.; Kotur, B.Ya.

    1990-01-01

    In a study of the interaction of the components in the ternary systems Sc-M-Si (where M is a 3d transition metal) it was established that there are compounds of the empirical formula ScM 2 Si 2 (M = Fe, Co, Ni). They crystallize in two structural types, HfFe 2 Si 2 (the compound ScFe 2 Si 2 ) and CeGa 2 Al 2 (ScCo 2 Si 2 and ScNi 2 Si 2 ) (ref. 1), leading to different coordination environment of the atoms in the structures of the compounds. With the aim of investigating the electron structure and the type ofin these compounds, they authors made a systematic x-ray spectral investigation with simultaneous analysis of the crystal structures of ScM 2 Si 2

  1. Electron Bernstein wave heating and emission measurement through the very narrow O-X-B mode conversion window in the LHD

    Energy Technology Data Exchange (ETDEWEB)

    Igami, H.; Shimozuma, T.; Yoshimura, Y.; Takahashi, H.; Nishiura, M.; Seki, T.; Osakabe, M.; Mutoh, T. [National Institute for Fusion Science, Toki (Japan); Kubo, S. [National Institute for Fusion Science, Toki, Japan and Department of Energy Engineering and Science, Nagoya Univ., Nagoya (Japan); Ogasawara, S.; Makino, R. [Department of Energy Engineering and Science, Nagoya Univ., Nagoya (Japan); Idei, H. [Research Institute for Applied Mechanics, Kyusyu Univ., Kasuga (Japan); Nagasaki, K. [Institute of Advanced Energy, Kyoto Univ., Uji (Japan)

    2014-02-12

    In the large helical device (LHD), the theoretically predicted width of the ordinary-extraordinary-electron Bernstein wave (O-X-B) mode conversion (MC) window is comparable to the beam width and the power deposition is located in the off-axis region if the 77GHz fundamental electron cyclotron (EC) wave of is launched from an existing horizontal port antenna. In the experiment, the actual MC window location was looked for with changing the aiming. The effective aiming with that the increase of the stored energy was observed was two degrees apart from the location of the theoretical MC window at a maximum. Measurement of the waves originated from the thermally emitted EBW and radiated via the B-X-O mode conversion process is effective to improve the accuracy of the theoretical prediction with comparison between the theoretical and the experimental results. The theoretical prediction suggests that the width of the MC window of the fundamental 77GHz EC wave can be expanded if the lower port antenna is used. On the other hand, the MC window of the second harmonic 154GHz EC wave is blocked by horizontal port wall if another horizontal port antenna is used. It is required to move the final mirror of the quasi-optical antenna toward the plasma surface. Focusing of the beam at the plasma cutoff is (PC) also necessary for the effective mode conversion.

  2. Electron Bernstein Wave Heating by OXB-Mode Conversion at Low Magnetic Field in the WEGA Stellarator

    Czech Academy of Sciences Publication Activity Database

    Podoba, Y.Y.; Laqua, H.P.; Warr, G.B.; Schubert, M.; Otte, M.; Marsen, S.; Wagner, F.; Andruczyk, D.; Holzhauer, E.; Preinhaelter, Josef; Urban, Jakub

    -, č. 109 (2007), s. 4-6 Institutional research plan: CEZ:AV0Z20430508 Keywords : Overdense plasma * Conversion * Emission * Stelarators * Elektron Bernstein waves Subject RIV: BL - Plasma and Gas Discharge Physics http://www.ornl.gov/sci/fed/stelnews

  3. Laser induced local structural and property modifications in semiconductors for electronic and photonic superstructures - Silicon carbide to graphene conversion

    Science.gov (United States)

    Yue, Naili

    Graphene is a single atomic layer two-dimensional (2D) hexagonal crystal of carbon atoms with sp2-bonding. Because of its various special or unique properties, graphene has attracted huge attention and considerable interest in recent years. This PhD research work focuses on the development of a novel approach to fabricating graphene micro- and nano-structures using a 532 nm Nd:YAG laser, a technique based on local conversion of 3C-SiC thin film into graphene. Different from other reported laser-induced graphene on single crystalline 4H- or 6H- SiC, this study focus on 3C-SiC polycrystal film grown using MBE. Because the SiC thin film is grown on silicon wafer, this approach may potentially lead to various new technologies that are compatible with those of Si microelectronics for fabricating graphene-based electronic, optoelectronic, and photonic devices. The growth conditions for depositing 3C-SiC using MBE on Si wafers with three orientations, (100), (110), and (111), were evaluated and explored. The surface morphology and crystalline structure of 3C-SiC epilayer were investigated with SEM, AFM, XRD, μ-Raman, and TEM. The laser modification process to convert 3C-SiC into graphene layers has been developed and optimized by studying the quality dependence of the graphene layers on incident power, irradiation time, and surface morphology of the SiC film. The laser and power density used in this study which focused on thin film SiC was compared with those used in other related research works which focused on bulk SiC. The laser-induced graphene was characterized with μ-Raman, SEM/EDS, TEM, AFM, and, I-V curve tracer. Selective deposition of 3C-SiC thin film on patterned Si substrate with SiO2 as deposition mask has been demonstrated, which may allow the realization of graphene nanostructures (e.g., dots and ribbons) smaller than the diffraction limit spot size of the laser beam, down to the order of 100 nm. The electrical conductance of directly written graphene

  4. Electron Bernstein wave heating of over-dense H-mode plasmas in the TCV tokamak via O-X-B double mode conversion

    International Nuclear Information System (INIS)

    Pochelon, A.; Mueck, A.; Curchod, L.; Camenen, Y.; Coda, S.; Duval, B.P.; Goodman, T.P.; Klimanov, I.; Laqua, H.P.; Martin, Y.; Moret, J.-M.; Porte, L.; Sushkov, A.; Udintsev, V.S.; Volpe, F.

    2007-01-01

    This paper reports on the first demonstration of electron Bernstein wave heating (EBWH) by double mode conversion from ordinary (O-) to Bernstein (B-) via the extraordinary (X-) mode in an over-dense tokamak plasma, using low field side launch, achieved in the TCV tokamak H-mode, making use of its naturally generated steep density gradient. This technique offers the possibility of overcoming the upper density limit of conventional EC microwave heating. The sensitive dependence of the O-X mode conversion on the microwave launching direction has been verified experimentally. Localized power deposition, consistent with theoretical predictions, has been observed at densities well above the conventional cut-off. Central heating has been achieved, at powers up to two megawatts. This demonstrates the potential of EBW in tokamak H-modes, the intended mode of operation for a reactor such as ITER

  5. Effects of thermal annealing on the radiation produced electron paramagnetic resonance spectra of bovine and equine tooth enamel: Fossil and modern

    Science.gov (United States)

    Weeks, Robert A.; Bogard, James S.; Elam, J. Michael; Weinand, Daniel C.; Kramer, Andrew

    2003-06-01

    The concentration of stable radiation-induced paramagnetic states in fossil teeth can be used as a measure of sample age. Temperature excursions >100 °C, however, can cause the paramagnetic state clock to differ from the actual postmortem time. We have heated irradiated enamel from both fossilized bovid and modern equine (MEQ) teeth for 30 min in 50 °C increments from 100 to 300 °C, measuring the electron paramagnetic resonance (EPR) spectrum after each anneal, to investigate such effects. Samples were irradiated again after the last anneal, with doses of 300-1200 Gy from 60Co photons, and measured. Two unirradiated MEQ samples were also annealed for 30 min at 300 °C, one in an evacuated EPR tube and the other in a tube open to the atmosphere, and subsequently irradiated. The data showed that hyperfine components attributed to the alanine radical were not detected in the irradiated MEQ sample until after the anneals. The spectrum of the MEQ sample heated in air and then irradiated was similar to that of the heat treated fossil sample. We conclude that the hyperfine components are due to sample heating to temperatures/times >100 °C/30 min and that similarities between fossil and MEQ spectra after the 300 °C/30 min MEQ anneal are also due to sample heating. We conclude that the presence of the hyperfine components in spectra of fossil tooth enamel indicate that such thermal events occurred either at the time of death, or during the postmortem history.

  6. Microwave plasma mode conversion

    International Nuclear Information System (INIS)

    Torres, H.S.; Sakanaka, P.H.; Villarroel, C.H.

    1985-01-01

    The behavior of hot electrons during the process of laser-produced plasma is studied. The basic equations of mode conversion from electromagnetic waves to electrostatic waves are presented. It is shown by mode conversion, that, the resonant absorption and parametric instabilities appear simultaneously, but in different plasma regions. (M.C.K.) [pt

  7. Measurement of neutron energy spectra for Eg=23.1 and 26.6 MeV mono-energetic photon induced reaction on natC using laser electron photon beam at NewSUBARU

    Directory of Open Access Journals (Sweden)

    Itoga Toshiro

    2017-01-01

    Full Text Available Photo-neutron energy spectra for Eg=23.1 and 26.6 MeV mono-energetic photons on natC were measured using laser Compton scattering facility at NewSUBARU BL01. The photon energy spectra were evaluated through measurements and simulations with collimator sizes and arrangements for the laser electron photon. The neutron energy spectra for the natC(g,xn reaction were measured at 60 degrees in horizontal and 90 degrees in horizontal and vertical with respect to incident photon. The spectra show almost isotropic angular distribution and flat energy distribution from detection threshold to upper limit defined by reaction Q-value.

  8. A Mathematica package for calculation of planar channeling radiation spectra of relativistic electrons channeled in a diamond-structure single crystal (quantum approach)

    Science.gov (United States)

    Azadegan, B.

    2013-03-01

    The presented Mathematica code is an efficient tool for simulation of planar channeling radiation spectra of relativistic electrons channeled along major crystallographic planes of a diamond-structure single crystal. The program is based on the quantum theory of channeling radiation which has been successfully applied to study planar channeling at electron energies between 10 and 100 MeV. Continuum potentials for different planes of diamond, silicon and germanium single crystals are calculated using the Doyle-Turner approximation to the atomic scattering factor and taking thermal vibrations of the crystal atoms into account. Numerical methods are applied to solve the one-dimensional Schrödinger equation. The code is designed to calculate the electron wave functions, transverse electron states in the planar continuum potential, transition energies, line widths of channeling radiation and depth dependencies of the population of quantum states. Finally the spectral distribution of spontaneously emitted channeling radiation is obtained. The simulation of radiation spectra considerably facilitates the interpretation of experimental data. Catalog identifier: AEOH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 446 No. of bytes in distributed program, including test data, etc.: 209805 Distribution format: tar.gz Programming language: Mathematica. Computer: Platforms on which Mathematica is available. Operating system: Operating systems on which Mathematica is available. RAM: 1 MB Classification: 7.10. Nature of problem: Planar channeling radiation is emitted by relativistic charged particles during traversing a single crystal in direction parallel to a crystallographic plane. Channeling is modeled as the motion

  9. Room-Temperature Coherent Optical Phonon in 2D Electronic Spectra of CH3NH3PbI3 Perovskite as a Possible Cooling Bottleneck

    Energy Technology Data Exchange (ETDEWEB)

    Monahan, Daniele M. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States); Guo, Liang [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States); Lin, Jia [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States); Dou, Letian [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States); Yang, Peidong [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States); Fleming, Graham R. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Kavli Energy NanoSciences Inst. at Berkeley, Berkeley, CA (United States)

    2017-06-29

    A hot phonon bottleneck may be responsible for slow hot carrier cooling in methylammonium lead iodide hybrid perovskite, creating the potential for more efficient hot carrier photovoltaics. In room-temperature 2D electronic spectra near the band edge, we observe in this paper amplitude oscillations due to a remarkably long lived 0.9 THz coherent phonon population at room temperature. This phonon (or set of phonons) is assigned to angular distortions of the Pb–I lattice, not coupled to cation rotations. The strong coupling between the electronic transition and the 0.9 THz mode(s), together with relative isolation from other phonon modes, makes it likely to cause a phonon bottleneck. Finally, the pump frequency resolution of the 2D spectra also enables independent observation of photoinduced absorptions and bleaches independently and confirms that features due to band gap renormalization are longer-lived than in transient absorption spectra.

  10. A method for conversion of Hounsfield number to electron density and prediction of macroscopic pair production cross-sections

    International Nuclear Information System (INIS)

    Knoeoes, T.; Nilsson, M.; Ahlgren, L.

    1986-01-01

    A method for the determination of electron density using a narrow beam attenuation geometry is described. The method does not require that the elemental composition of the phantom materials is known. The Hounsfield numbers for the phantom materials used were determined using five different CT scanners. A relationship between Hounsfield number and electron density can thus be established, which is of considerable value in radiation therapy treatment planning procedures. Measurements of the ratio coherent/incoherent scattering of low energy photons in a certain geometry has proven valuable for determination of atomic number, which in its turn can be used for estimation of macroscopic pair production coefficients for high energy photons. The combination of knowledge of electron density with methods for determination of processes, dependent on atomic number, can form a base for adequate composition of phantom materials for purposes of testing dose calculation algorithms for photons and electrons. (orig.)

  11. Probing the electronic structure of Ni–Mn–In–Si based Heusler alloys thin films using magneto-optical spectra in martensitic and austenitic phases

    Energy Technology Data Exchange (ETDEWEB)

    Novikov, A. [Department of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Sokolov, A., E-mail: asokol@unlserve.unl.edu [Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588 (United States); Gan’shina, E.A. [Department of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Quetz, Abdiel; Dubenko, I.S. [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Stadler, S. [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Ali, N. [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Titov, I.S.; Rodionov, I.D. [Department of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Lähderanta, E. [Lappeenranta University of Technology, 53851 (Finland); Zhukov, A. [Dpto. de Física de Materiales, Fac. Químicas, UPV/EHU, 20018 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain); Granovsky, A.B. [Department of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Sabirianov, R. [Department of Physics, University of Nebraska at Omaha, Omaha, NE 68182 (United States)

    2017-06-15

    Highlights: • Magneto-optical properties of NiMnIn thin films with a magnetostructural transition. • Comparative analysis of magnetic properties in martensitic and austenite phases. • DFT calculations of the MO Kerr effect and site-resolved DOS agree with experiment. • The electronic structure does not change significantly with Martensitic transition. - Abstract: Thin films of Ni{sub 52}Mn{sub 35−x}In{sub 11+x}Si{sub 2} were fabricated by magnetron sputtering on MgO (0 0 1) single crystal substrates. Magnetization as function of temperature for Ni{sub 52}Mn{sub 35}In{sub 11}Si{sub 2} exhibits features consistent with a magnetostructural transition (MST) from an austenitic phase to a martensitic phase, similar to the bulk material. We observed that the martensitic transformation is externally sensitive to small changes in chemical composition and stoichiometry. It has been found that thin films of Ni{sub 52}Mn{sub 34−x}In{sub 11+x}Si{sub 2} with x = 0 and 1 undergo a temperature-induced MST or remain in a stable austenitic phase, respectively. Comparison of magneto-optical transverse Kerr effect spectra obtained at 0.5–4.0 eV in the 35–300 K temperature interval reveal insignificant differences between the martensitic and austenite phases. We found that the field and temperature dependencies of the transverse Kerr effect are quite different from the magnetization behavior, which is attributed to magnetic inhomogeneity across the films. To elucidate the effects of magnetostructural phase transitions on the electronic properties, we performed density functional calculations of the magneto-optical Kerr effect.

  12. Simulation of Electron Energy Spectra of a Biased Paracentric Hemispherical Deflection Analyzer as a Function of Entry Bias: Effects of Misalignments

    Directory of Open Access Journals (Sweden)

    O. Sise

    2014-01-01

    Full Text Available The performance of a biased paracentric hemispherical deflection analyzer (HDA, including fringing fields and their effect on focusing and energy resolution, is investigated using numerical methods. Electron energy spectra are calculated for three entry positions R0=84 mm, 100 mm, and 112 mm and compared with the recent experimental measurements. In both experiment and calculation, the two different paracentric entry positions R0=84 mm and R0=112 mm, on either side of the mean radius of 100 mm, are found to have a base energy resolution of about two times better than the conventional centric entry position R0=100 mm. In order to explain the discrepancies (6–30% between the simulated and the experimental resolutions the focusing characteristics are further investigated for different displacements of the input lens (ΔR0 with respect to the entry position R0 and the tilted input beam axis by αshift in the dispersive direction. We have found that the blame does not in fact lie with the theory and we have shown that the input lens may have been misaligned in the experiment. Slight misalignments affect both the true energy resolution measurement and the transmission of the beam.

  13. Molecular design of unsymmetrical squaraine dyes for high efficiency conversion of low energy photons into electrons using TiO{sub 2} nanocrystalline films

    Energy Technology Data Exchange (ETDEWEB)

    Geiger, Thomas; Kuster, Simon; Nueesch, Frank [Empa, Swiss Federal Laboratories for Materials Testing and Research Laboratory for Functional Polymers, Duebendorf (Switzerland); Yum, Jun-Ho; Moon, Soo-Jin; Nazeeruddin, Mohammad K.; Graetzel, Michael [Laboratory for Photonics and Interfaces Institute of Chemical Sciences and Engineering School of Basic Sciences, Swiss Federal Institute of Technology, Lausanne (Switzerland)

    2009-09-09

    An optimized unsymmetrical squaraine dye 5-carboxy-2-[[3-[(2,3-dihydro-1, 1-dimethyl-3-ethyl-1H-benzo[e]indol-2-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]methyl]-3,3-dimethyl-1-octyl-3H-indolium (SQ02) with carboxylic acid as anchoring group is synthesized for dye-sensitized solar cells (DSCs). Although the {pi}-framework of SQ02 is insignificantly extended compared to its antecessor squaraine dye SQ01, photophysical measurements show that the new sensitizer has a much higher overall conversion efficiency {eta} of 5.40% which is improved by 20% when compared to SQ01. UV-vis spectroscopy, cyclic voltammetry and time dependent density functional theory calculations are accomplished to rationalize the higher conversion efficiency of SQ02. A smaller optical band gap including a higher molar absorption coefficient leads to improved light harvesting of the solar cell and a broadened photocurrent spectrum. Furthermore, all excited state orbitals relevant for the {pi}-{pi}* transition in SQ02 are delocalized over the carboxylic acid anchoring group, ensuring a strong electronic coupling to the conduction band of TiO{sub 2} and hence a fast electron transfer. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

  14. Electron fluence to dose equivalent conversion factors calculated with EGS3 for electrons and positrons with energies from 100 keV to 20 GeV

    International Nuclear Information System (INIS)

    Rogers, D.W.O.

    1983-01-01

    At NRC the general purpose Monte-Carlo electron-photon transport code EGS3 is being applied to a variety of radiation dosimetry problems. To test its accuracy at low energies a detailed set of depth-dose curves for electrons and photons has been generated and compared to previous calculations. It was found that by changing the default step-size algorithm in EGS3, significant changes were obtained for incident electron beam cases. It was found that restricting the step-size to a 4% energy loss was appropriate below incident electron beam energies of 10 MeV. With this change, the calculated depth-dose curves were found to be in reasonable agreement with other calculations right down to incident electron energies of 100 keV although small (less than or equal to 10%) but persistent discrepancies with the NBS code ETRAN were obtained. EGS3 predicts higher initial dose and shorter range than ETRAN. These discrepancies are typical of a wide range of energies as is the better agreement with the results of Nahum. Data is presented for the electron fluence to maximal dose equivalent in a 30 cm thick slab of ICRU 4-element tissue irradiated by broad parallel beams of electrons incident normal to the surface. On their own, these values only give an indication of the dose equivalent expected from a spectrum of electrons since one needs to fold the spectrum maximal dose equivalent value. Calculations have also been done for incident positron beams. Despite the large statistical uncertainties, maximal dose equivalent although their values are 5 to 10% lower in a band around 10 MeV

  15. A survey of mode-conversion transparency windows between external electromagnetic waves and electron Bernstein waves for various plasma slab boundaries

    International Nuclear Information System (INIS)

    Igami, H; Tanaka, H; Maekawa, T

    2006-01-01

    For the plasma slab boundary with monotonically increasing density profile along the x axis and the magnetic field along the z axis, both N z and N y components of the refractive index are parallel to the plasma slab and are conserved in the mode-conversion process between the vacuum transverse electromagnetic (TEM) waves and the electron Bernstein (B) waves. Information of N z and N y is sufficient to identify the waves uniquely both for TEM waves and B waves coupled by mode conversion. Furthermore, the wave differential equation which governs the mode-conversion process can be written in the normalized form with a few numbers of the normalized parameters and variables for the linear density profile. Thus, the mode-conversion transparency window, which is presented as a contour plot of the mode-conversion rate versus the N z -N y plane, can be categorized for the pair of parameters of the density scale length normalized to the wavelength in vacuum L n /λ 0 and the frequency to the cyclotron frequency ω/Ω. A survey of the transparency windows for various parameter ranges of L n /λ 0 and ω/Ω is presented. The windows are categorized into four types. The frosted type at the steepest density gradient region has a broad transparency profile but even the peak is not completely transparent. The perpendicular-X type at the next steep density gradient region also has a broad transparency profile with a completely transparent peak by the perpendicularly propagating extraordinary waves. The OXB type at the gentle density gradient region has a pair of completely transparent sharp peaks by the obliquely propagating ordinary waves at the optimal propagation angles with N z = ±N parallelopt and N y 0. The fourth is the g 1 type in the intermediate density gradient region between the above two cases, which has two completely transparent peaks in the window. Finally, a simulation to examine the applicability of the survey to experiments is made using a test density profile

  16. Family assessment conversations as a tool to support families affected by parental mental illness: a retrospective review of electronic patient journals.

    Science.gov (United States)

    Lauritzen, Camilla; Kolmannskog, Anne Berit; Iversen, Anette Christine

    2018-01-01

    Previous research has shown a link between parental mental illness and adverse development in their offspring. In Norway, it is mandatory for health professionals to identify if patients in adult mental health services have children, and subsequently to provide support for the children. An important tool to detect if families are affected by parental mental illness and to assess if there is a need for further intervention is the Family Assessment Conversation. Family Assessment Conversations is potentially a powerful tool for communication with families affected by parental mental illness because it facilitates early identification of children at risk of various adversities due to the family situation. Additionally the tool may initiate processes that enable children and parents to cope with the situation when a parent becomes seriously ill. Little is however known about how the mental health practitioners use the family assessment form in conversations, and to what extent they record relevant information in the electronic patient journals. The main aim of the study was to provide information about the existing practice within mental health services for adults in terms of parental mental illness and family assessment conversations. The project is a retrospective journal review. The data base consists of relevant journal data from 734 patients aged 20-60 years admitted. In total, 159 recordings of family assessment conversations were discovered. The main result in this study was that many of the questions in the family assessment form lacked documented responses and assessments from the healthcare professionals. Only 17% of the participants had been assessed with the total family assessment form. Additionally, there was a lack of documentation about whether or not the children had been informed in a large proportion of the assessment forms (31%). A total of 55% say that the child has not been informed. This implies that there is still a long way to go in order to

  17. Photoactive Molecular Dyads [Ru(bpy)3-M(ttpy)2] n+ on Gold (M = Co(III), Zn(II)): Characterization, Intrawire Electron Transfer, and Photoelectric Conversion.

    Science.gov (United States)

    Le-Quang, Long; Farran, Rajaa; Lattach, Youssef; Bonnet, Hugues; Jamet, Hélène; Guérente, Liliane; Maisonhaute, Emmanuel; Chauvin, Jérôme

    2018-04-23

    We propose in this work a stepwise approach to construct photoelectrodes. This takes advantage of the self-assembly interactions between thiol with a gold surface and terpyridine ligands with first-row transition metals. Here, a [Ru(bpy) 3 ] 2+ photosensitive center bearing a free terpyridine group has been used to construct two linear dyads on gold (Au/[Zn II -Ru II ] 4+ and Au/[Co III -Ru II ] 5+ ). The stepwise construction was characterized by electrochemistry, quartz crystal microbalance, and atomic force microscopy imaging. The results show that the dyads behave as rigid layers and are inhomogeneously distributed on the surface. The surface coverages are estimated to be in the order of 10 -11 mol cm -2 . The kinetics of the heterogeneous electron transfer is determined on modified gold ball microelectrodes using Laviron's formula. The oxidation rates of the terminal Ru(II) subunits are estimated to be 700 and 2300 s -1 for Au/[Zn II -Ru II ] 4+ and Au/[Co III -Ru II ] 5+ , respectively. In the latter case, the rate is limited by the kinetics of electron transfer between an intermediate Co(II) center and the gold surface. For Au/[Zn II -Ru II ] 4+ , the Zn-bis-terpyridine center is not involved in the electron-transfer process and the oxidation of the Ru(II) subunit occurs through a superexchange process. In the presence of a tertiary amine in solution, the electrodes at a bias of 0.12 V behave as photoanodes when subjected to visible light irradiation. The magnitude of the photocurrent is around 10 μA cm -2 for Au/[Co III -Ru II ] 5+ and 5 μA cm -2 for Au/[Zn II -Ru II ] 4+ , proving the importance of an electron relay on the photon-to-current conversion. The results suggest an efficient conversion for Au/[Co III -Ru II ] 5+ , since each bound dyad, once excited, injects an electron around 10 times per second.

  18. Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

    Energy Technology Data Exchange (ETDEWEB)

    Verma, Prakash; Morales, Jorge A., E-mail: jorge.morales@ttu.edu [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Perera, Ajith [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Department of Chemistry, Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

    2013-11-07

    Coupled cluster (CC) methods provide highly accurate predictions of molecular properties, but their high computational cost has precluded their routine application to large systems. Fortunately, recent computational developments in the ACES III program by the Bartlett group [the OED/ERD atomic integral package, the super instruction processor, and the super instruction architecture language] permit overcoming that limitation by providing a framework for massively parallel CC implementations. In that scheme, we are further extending those parallel CC efforts to systematically predict the three main electron spin resonance (ESR) tensors (A-, g-, and D-tensors) to be reported in a series of papers. In this paper inaugurating that series, we report our new ACES III parallel capabilities that calculate isotropic hyperfine coupling constants in 38 neutral, cationic, and anionic radicals that include the {sup 11}B, {sup 17}O, {sup 9}Be, {sup 19}F, {sup 1}H, {sup 13}C, {sup 35}Cl, {sup 33}S,{sup 14}N, {sup 31}P, and {sup 67}Zn nuclei. Present parallel calculations are conducted at the Hartree-Fock (HF), second-order many-body perturbation theory [MBPT(2)], CC singles and doubles (CCSD), and CCSD with perturbative triples [CCSD(T)] levels using Roos augmented double- and triple-zeta atomic natural orbitals basis sets. HF results consistently overestimate isotropic hyperfine coupling constants. However, inclusion of electron correlation effects in the simplest way via MBPT(2) provides significant improvements in the predictions, but not without occasional failures. In contrast, CCSD results are consistently in very good agreement with experimental results. Inclusion of perturbative triples to CCSD via CCSD(T) leads to small improvements in the predictions, which might not compensate for the extra computational effort at a non-iterative N{sup 7}-scaling in CCSD(T). The importance of these accurate computations of isotropic hyperfine coupling constants to elucidate

  19. Electron Injection from Copper Diimine Sensitizers into TiO 2 : Structural Effects and Their Implications for Solar Energy Conversion Devices

    Energy Technology Data Exchange (ETDEWEB)

    Mara, Michael W. [Department; Bowman, David N. [Department; Buyukcakir, Onur [Graduate; Shelby, Megan L. [Department; Haldrup, Kristoffer [Centre; Huang, Jier; Harpham, Michael R.; Stickrath, Andrew B.; Zhang, Xiaoyi; Stoddart, J. Fraser [Department; Coskun, Ali [Graduate; Jakubikova, Elena [Department; Chen, Lin X. [Department

    2015-07-21

    Copper(I) diimine complexes have emerged as low cost replacements for ruthenium complexes as light sensitizers and electron donors, but their shorter metal-to-ligand-charge-transfer (MLCT) states lifetimes and lability of transient Cu(II) species impede their intended functions. Two carboxylated Cu(I) bis-2,9-diphenylphenanthroline (dpp) complexes [Cu(I)(dpp-O(CH2CH2O)(5))(dpp-(COOH)(2))](+) and [Cu(I)(dpp-O(CH2CH2O)(5))(dpp-(F-COOH)(2))](+) (F = tolyl) with different linker lengths were synthesized in which the MLCT-state solvent quenching pathways are effectively blocked, the lifetime of the singlet MLCT state is prolonged, and the transient Cu(II) ligands are stabilized. Aiming at understanding the mechanisms of structural influence to the interfacial charge transfer in the dye-sensitized solar cell mimics, electronic and geometric structures as well as dynamics for the MLCT state of these complexes and their hybrid with TiO2 nanoparticles were investigated using optical transient spectroscopy, X-ray transient absorption spectroscopy, time-dependent density functional theory, and quantum dynamics simulations. The combined results show that these complexes exhibit strong absorption throughout the visible spectrum due to the severely flattened ground state, and a long-lived charge-separated Cu(II) has been achieved via ultrafast electron injection (<300 fs) from the 1MLCT state into TiO2 nanoparticles. The results also indicate that the TiO2-phen distance in these systems does not have significant effect on the efficiency of the interfacial electron-transfer process. The mechanisms for electron transfer in these systems are discussed and used to develop new strategies in optimizing copper(I) diimine complexes in solar energy conversion devices.

  20. Auger spectra of alkanes

    International Nuclear Information System (INIS)

    Rye, R.R.; Jennison, D.R.; Houston, J.E.

    1980-01-01

    The gas-phase Auger line shapes of the linear alkanes C 1 through C 6 and of neopentane are presented and analyzed. The general shape of the spectra are characteristic of carbon in a tetrahedral environment with the major feature in all cases occurring at approx.249 eV. The relatively large spectral changes found between methane and ethane results from the direct interaction of the terminal methyl groups in ethane, and the spectra of the higher alkanes are shown to be a composite of contributions from terminal methyl and interior methylene group carbon atoms. Theoretical analysis based on a one-electron approximation is shown to be capable of making a molecular orbital assignment by comparing calculated vertical transitions to features in the Auger spectra of ethane and propane, and, in the case of ethane, of differentiating between the 2 E/sub g/ and 2 A/sub 1g/ assignment of the ground state of (C 2 H 6 ) + . A one-electron based molecular orbital treatment, however, is shown to partially break down in propane and neopentane. Analysis of neopentane and the observed absence of any noticeable major peak energy shift with increasing molecular size (as predicted by the one-electron treatment) suggests that some Auger final states occur in which both valence holes are localized on the same subunit of the molecule

  1. B-factory via conversion of 1-TeV electron beams into 1-TeV photon beams

    International Nuclear Information System (INIS)

    Mtingwa, S.K.

    1991-01-01

    This paper reports on the study of CP violation and rare decays of beauty particles which are pressing problems in high-energy physics. It is known that one should analyze beauty decays of at least the order of 10 8 or 19 9 . Thus, numerous proposals for beauty factories are being discussed now, although some of these projects are likely to supply much smaller numbers of beauty events. At the same time, at present several projects, such as CLIC (Cern Linear Collider), expect to build linear e + e - colliders with beam energies up to 1 TeV. The aim of this work is to show that the possibility exists of using the unique features of the discussed teraelectron volt electron linacs to obtain a facility for the production of beauty via photoproduction of nuclei. Unique features of high-energy photoproduction are as follows. The rather large fraction (∼2 x 10 -4 ) of events with beauty at E γ ∼ 1 TeV. Beauty particles are produced with about equally large momenta ∼0.05 E γ and at rather large transverse momenta p t ∼ m b . The following scheme can be envisioned. The 1-TeV electron beam is Compton scattered off a low-energy (∼ 1-eV) laser pulse. The laser photons are thus converted into a highly collimated beam of energy E γ ∼ E e , directed along the electron's original line of motion. Such schemes to produce high-energy photon beams have been discussed. These 1-TeV photons are subsequently scattered onto a nuclear target to produce b bar b pairs

  2. A high-performance liquid chromatography-electronic circular dichroism online method for assessing the absolute enantiomeric excess and conversion ratio of asymmetric reactions

    Science.gov (United States)

    Zhang, Xiang; Wang, Mingchao; Li, Li; Yin, Dali

    2017-03-01

    Asymmetric reactions often need to be evaluated during the synthesis of chiral compounds. However, traditional evaluation methods require the isolation of the individual enantiomer, which is tedious and time-consuming. Thus, it is desirable to develop simple, practical online detection methods. We developed a method based on high-performance liquid chromatography-electronic circular dichroism (HPLC-ECD) that simultaneously analyzes the material conversion ratio and absolute optical purity of each enantiomer. In particular, only a reverse-phase C18 column instead of a chiral column is required in our method because the ECD measurement provides a g-factor that describes the ratio of each enantiomer in the mixtures. We used our method to analyze the asymmetric hydrosilylation of β-enamino esters, and we discussed the advantage, feasibility, and effectiveness of this new methodology.

  3. Conversion of nitric oxide in the combustion products of a gaseous fuel on exposure to a beam of accelerated electrons

    International Nuclear Information System (INIS)

    Belousova, E.V.; Gavrilov, A.F.; Gol'danskii, V.I.; Dzantiev, B.G.; Pavlova, S.U.; Shvedchikov, A.P.

    1986-01-01

    The results are given of an experimental investigation of the radiation chemical effect of a beam of accelerated electrons on the combustion products of a gaseous fuel (propane). The effects of the initial concentration, temperature, and dose on the relative concentration of nitric oxide [NO]/[NO] 0 in the irradiated mixture were studied and the radiation chemical yields for the consumption of nitric oxide G(-NO) were studied. The quite high values of G(-NO) obtained suggest that the method described may be suitable for removing nitrogen oxides from the exhaust gases from thermoelectric power plants

  4. Utilization of the statistics techniques for the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger electronic spectra's deconvolutions

    International Nuclear Information System (INIS)

    Puentes, M.B.

    1987-01-01

    For the analysis of the XPS (X-ray photoelectron spectroscopy) and Auger spectra, it is important to performe the peaks' separation and estimate its intensity. For this purpose, a methodology was implemented, including: a spectrum's filter; b) substraction of the base line (or inelastic background); c) deconvolution (separation of the distribution that integrates the spectrum) and d) error of calculation of the mean estimation, comprising adjustment quality tests. A software (FORTRAN IV plus) that permits to use the methodology proposed from the experimental spectra was implemented. The quality of the methodology was tested with simulated spectra. (Author) [es

  5. On the perspectives of wide-band gap power devices in electronic-based power conversion for renewable systems

    Energy Technology Data Exchange (ETDEWEB)

    Vasconcelos Araujo, Samuel

    2013-10-01

    The high breakdown field from WBG materials allows the construction of unipolar devices with very low specific chip resistance mainly characterized by very low conduction and switching losses, even at high blocking voltages. Suitable concepts for SiC and GaN range from traditional FET structures driven by a MOS interface or a PN-Junction, bipolar devices and even high-electron mobility transistors (HEMT). A detailed revision of the literature will be performed in this work with the objective of providing a broad overview of possible approaches, along with inherent advantages and limitations. In addition to this, a benchmarking of several SiC-based devices technologies rated for 1200 V and 1700 V will be performed against their state-of-the-art Silicon-counterparts. Concerning the application of wide band gap devices in renewable energy systems, a significant cost reduction potential can be obtained due to smaller expenditure with magnetic filters and cooling, alongside higher efficiency levels. These aspects will be discussed in details in order to identify constraints and bottlenecks at application level with special focus on photovoltaic and wind power systems.

  6. Optimization of an Electron Transport Layer to Enhance the Power Conversion Efficiency of Flexible Inverted Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Lee Kang Hyuck

    2010-01-01

    Full Text Available Abstract The photovoltaic (PV performance of flexible inverted organic solar cells (IOSCs with an active layer consisting of a blend of poly(3-hexylthiophene and [6, 6]-phenyl C61-butlyric acid methyl ester was investigated by varying the thicknesses of ZnO seed layers and introducing ZnO nanorods (NRs. A ZnO seed layer or ZnO NRs grown on the seed layer were used as an electron transport layer and pathway to optimize PV performance. ZnO seed layers were deposited using spin coating at 3,000 rpm for 30 s onto indium tin oxide (ITO-coated polyethersulphone (PES substrates. The ZnO NRs were grown using an aqueous solution method at a low temperature (90°C. The optimized device with ZnO NRs exhibited a threefold increase in PV performance compared with that of a device consisting of a ZnO seed layer without ZnO NRs. Flexible IOSCs fabricated using ZnO NRs with improved PV performance may pave the way for the development of PV devices with larger interface areas for effective exciton dissociation and continuous carrier transport paths.

  7. Remarkably High Conversion Efficiency of Inverted Bulk Heterojunction Solar Cells: From Ultrafast Laser Spectroscopy and Electron Microscopy to Device Fabrication and Optimization

    KAUST Repository

    Alsulami, Qana

    2016-04-10

    In organic donor-acceptor systems, ultrafast interfacial charge transfer (CT), charge separation (CS), and charge recombination (CR) are key determinants of the overall performance of photovoltaic devices. However, a profound understanding of these photophysical processes at device interfaces remains superficial, creating a major bottleneck that circumvents advancements and the optimization of these solar cells. Here, results from time-resolved laser spectroscopy and high-resolution electron microscopy are examined to provide the fundamental information necessary to fabricate and optimize organic solar cell devices. In real time, CT and CS are monitored at the interface between three fullerene acceptors (FAs) (PC71BM, PC61BM, and IC60BA) and the PTB7-Th donor polymer. Femtosecond transient absorption (fs-TA) data demonstrates that photoinduced electron transfer from the PTB7-Th polymer to each FA occurs on the sub-picosecond time scale, leading to the formation of long-lived radical ions. It is also found that the power conversion efficiency improves from 2% in IC60BA-based solar cells to >9% in PC71BM-based devices, in support of our time-resolved results. The insights reported in this manuscript provide a clear understanding of the key variables involved at the device interface, paving the way for the exploitation of efficient CS and subsequently improving the photoconversion efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Electronic Absorption and MCD Spectra for Pd(AuPPh(3))(8)(2+), Pt(AuPPh(3))(8)(2+), and Related Platinum-Centered Gold Cluster Complexes.

    Science.gov (United States)

    Adrowski, Michael J.; Mason, W. Roy

    1997-03-26

    Electronic absorption and 7.0 T magnetic circular dichroism (MCD) spectra in the UV-vis region, 1.6 to approximately 4.0 &mgr;m(-)(1) (1 &mgr;m(-)(1) = 10(4) cm(-)(1)) are reported for [Pd(AuPPh(3))(8)](NO(3))(2) and [Pt(AuPPh(3))(8)](NO(3))(2) in acetonitrile solutions at room temperature. The MCD spectra are better resolved than the absorption spectra and consist of both A and B terms. The spectra are interpreted in terms of D(4)(d)() skeletal geometry and MO's that are approximated by 5s and 6s orbitals for Pd and Pt/Au atoms, respectively. The lowest energy excited configurations and states are attributed to intraframework (IF) Au(8)(2+) transitions. Evidence is also presented for Pt 5d --> Au 6s transitions in the MCD spectra for Pt(AuPPh(3))(8)(2+). Acetonitrile solution absorption and MCD spectra for the related Pt-centered cluster complexes [Pt(CO)(AuPPh(3))(8)](NO(3))(2), [Pt(AuP(p-tolyl)(3))(8)](NO(3))(2), [Pt(CuCl)(AuPPh(3))(8)](NO(3))(2), [Pt(AgNO(3))(AuPPh(3))(8)](NO(3))(2), [Pt(Hg)(2)(AuPPh(3))(8)](NO(3))(2), [Pt(HgCl)(2)(AuPPh(3))(8)](BF(4))(2), and [Pt(HgNO(3))(2)(AuPPh(3))(8)](BF(4))(2) are also reported and interpreted within the context of the model developed for the M(AuPPh(3))(8)(2+) complexes.

  9. Innovative direct energy conversion systems from fusion output thermal power to the electrical one with the use of electronic adiabatic processes of electron fluid in solid conductors

    International Nuclear Information System (INIS)

    Kondoh, Y.; Kondo, M.; Shimoda, K.; Takahashi, T.; Osuga, K.

    2003-07-01

    It is shown that with the use of the fusion output and/or environmental thermal energy, innovative open systems for permanent auto-working (PA) direct energy converting (DEC) from the thermal to the electrical (TE) and further to the chemical potential (TEC) energies, abbreviated as PA-TEC-DEC systems, can be used for new auto-working electrical power plants and the plants of the compressible and conveyable hydrogen gas resources at various regions in the whole world. It is analytically shown that the same physical mechanism by free electrons and electrical potential determined by temperature in conductors, which include semiconductors, leads to the Peltier effect and the Seebeck one. It is analytically proved that the energy conservation law is exactly satisfied in a simple form where the net absorbed thermal power is directly transferred to the electrical power and to the chemical power in the PA-TEC-DEC systems. It is analytically and experimentally clarified that the long distance separation between two π type elements of the heat absorption side and the production one of the Peltier effect circuit system or between the higher temperature side and the lower one of the Seebeck effect circuit one does not change mechanisms of the heat pumping by the Peltier effect and of the TE-DEC by the Seebeck effect. The proposed systems gives us freedom of no using the fossil fuel, such as coals, oils, and natural gases that yield serious greenhouse effect all over the earth, and the plant of nuclear fissions that left radiating wastes, i.e., no more environmental pollutions. The PA-TEC-DEC systems can be applicable for several km scale systems to the micro ones, such as the plants of the electrical power and the hydrogen gas resources, compact transportable hydrogen gas producers, the refrigerators, the air conditions, home electrical apparatuses, and further the computer elements. (author)

  10. Catalogue of neutron spectra

    International Nuclear Information System (INIS)

    Buxerolle, M.; Massoutie, M.; Kurdjian, J.

    1987-09-01

    Neutron dosimetry problems have arisen as a result of developments in the applications of nuclear energy. The largest number of possible irradiation situations has been collected: they are presented in the form of a compilation of 44 neutron spectra. Diagrams show the variations of energy fluence and energy fluence weighted by the dose equivalent/fluence conversion factor, with the logarithm of the corresponding energy. The equivalent dose distributions are presented as percentages for the following energy bins: 0.01 eV/0.5 eV/50 keV/1 MeV/5 MeV/15 MeV. The dose equivalent, the mean energy and the effective energy for the dose equivalent for 1 neutron cm -2 are also given [fr

  11. Electronic structure and transport properties of Ba2Cd2Pn3 (Pn = As and Sb): An efficient materials for energy conversion

    International Nuclear Information System (INIS)

    Reshak, A.H.

    2016-01-01

    2 Cd 2 Sb 3 up to 500 K. Above this temperature both compounds are alternating. Based on the results our finding that the Ba 2 Cd 2 Pn 3 (Pn = As and Sb) compounds are efficient materials for energy conversion. - Highlights: • Ba 2 Cd 2 Pn 3 (Pn = As and Sb) are narrow band gap (0.49 and 0.32 eV) semiconductors. • Ba 2 Cd 2 Pn 3 (Pn = As and Sb) compounds are efficient materials for energy conversion. • Ba 2 Cd 2 As 3 exhibit higher carriers concentration than that of Ba 2 Cd 2 Sb 3 . • Ba 2 Cd 2 As 3 exhibit higher electronic electrical conductivity than that of Ba 2 Cd 2 Sb 3 . • Ba 2 Cd 2 As 3 exhibit higher Seebeck coefficient than that of Ba 2 Cd 2 Sb 3 .

  12. Innovative direct energy conversion systems using electronic adiabatic processes of electron fluid in solid conductors: new plants of electrical power and hydrogen gas resources without environmental pollutions

    International Nuclear Information System (INIS)

    Kondoh, Y.; Kondo, M.; Shimoda, K.; Takahashi, T.

    2001-07-01

    It is shown that using a novel recycling process of the environmental thermal energy, innovative permanent auto-working direct energy converter systems (PA-DEC systems) from the environmental thermal to electrical and/or chemical potential (TE/CP) energies, abbreviated as PA-TE/CP-DEC systems, can be used for new auto-working electrical power plants and the plants of the compressible and conveyable hydrogen gas resources at various regions in the whole world, with contributions to the world peace and the economical development in the south part of the world. It is shown that the same physical mechanism by free electrons and electrical potential determined by temperature in conductors, which include semiconductors, leads to the Peltier effect and the Seebeck one. It is experimentally clarified that the long distance separation between two π type elements of the heat absorption (HAS) and the production one (HPS) of the Peltier effect circuit system or between the higher temperature side (HTS) and the lower one (LTS) of the Seebeck effect circuit one does not change in the whole for the both effects. By using present systems, we do not need to use petrified fuels such as coals, oils, and natural gases in order to decrease the greenhouse effect by the CO 2 surrounding the earth. Furthermore, we do not need plats of nuclear fissions that left radiating wastes, i.e., with no environmental pollutions. The PA-TE/CP-DEC systems can be applicable for several km scale systems to the micro ones, such as the plants of the electrical power, the compact transportable hydrogen gas resources, a large heat energy container, which can be settled at far place from thermal energy absorbing area, the refrigerators, the air conditioners, home electrical apparatuses, and further the computer elements. It is shown that the simplest PA-TE/CP-DEC system can be established by using only the Seebeck effect components and the resolving water ones. It is clarified that the externally applied

  13. Effect of Short-Circuit Faults in the Back-to-Back Power Electronic Converter and Rotor Terminals on the Operational Behavior of the Doubly-Fed Induction Generator Wind Energy Conversion System

    Directory of Open Access Journals (Sweden)

    Dimitrios G. Giaourakis

    2015-02-01

    Full Text Available This paper deals with the operational behavior of the Doubly-Fed Induction Generator Wind Energy Conversion System under power electronic converter and rotor terminals faulty conditions. More specifically, the effect of the short-circuit fault both in one IGBT of the back-to-back power electronic converter and in rotor phases on the overall system behavior has been investigated via simulation using a system of 2 MW. Finally, the consequences of these faults have been evaluated.

  14. Obtaining the conversion curve of CT numbers to electron density from the effective energy of the CT using the dummy SEFM; Obtencion de la curva de conversion de numeros TC a densidad electronica a partir de la energia efectiva del TC usando el maniqui de la SEFM

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Viera Cueto, J. A.; Garcia Pareja, S.; Benitez Villegas, E. M.; Moreno Saiz, E. M.; Bodineau Gil, C.; Caudepon Moreno, F.

    2011-07-01

    The objective of this work is to obtain the conversion curve of Hounsfield units (A) versus electron densities using a mannequin with different tissue equivalent materials. This provides for the effective energy beam CT and is used to characterize the linear coefficients of absorption of different materials that comprise the dummy.

  15. Study on the effect of measuring methods on incident photon-to-electron conversion efficiency of dye-sensitized solar cells by home-made setup

    Science.gov (United States)

    Guo, Xiao-Zhi; Luo, Yan-Hong; Zhang, Yi-Duo; Huang, Xiao-Chun; Li, Dong-Mei; Meng, Qing-Bo

    2010-10-01

    An experimental setup is built for the measurement of monochromatic incident photon-to-electron conversion efficiency (IPCE) of solar cells. With this setup, three kinds of IPCE measuring methods as well as the convenient switching between them are achieved. The setup can also measure the response time and waveform of the short-circuit current of solar cell. Using this setup, IPCE results of dye-sensitized solar cells (DSCs) are determined and compared under different illumination conditions with each method. It is found that the IPCE values measured by AC method involving the lock-in technique are sincerely influenced by modulation frequency and bias illumination. Measurements of the response time and waveform of short-circuit current have revealed that this effect can be explained by the slow response of DSCs. To get accurate IPCE values by this method, the measurement should be carried out with a low modulation frequency and under bias illumination. The IPCE values measured by DC method under the bias light illumination will be disturbed since the short-circuit current increased with time continuously due to the temperature rise of DSC. Therefore, temperature control of DSC is considered necessary for IPCE measurement especially in DC method with bias light illumination. Additionally, high bias light intensity (>2 sun) is found to decrease the IPCE values due to the ion transport limitation of the electrolyte.

  16. Development of a highly efficient conversion electron Moessbauer spectroscopy (CEMS) detector for low temperature (xPb1-x)Te bilayers

    International Nuclear Information System (INIS)

    Pombo, Carlos Jose da Silva Matos

    2006-01-01

    The 57 Fe Moessbauer spectroscopy is a nuclear, non-destructive technique used for the investigation of structural, magnetic and hyperfine properties of several materials. It is a powerful tool in characterizing materials in physics, metallurgy, geology and biology field areas, especially magnetic materials, alloys and minerals containing Fe. Lately, the Conversion Electron Moessbauer Spectroscopy (CEMS) is widely used in making studies on ultra-thin magnetic films, as well as other nanostructured materials. In case of magnetic nanostructures, low temperature (LT) studies are especially important due to the possibility of dealing with superparamagnetic effects. In this work it was developed a CEMS measurement system for low temperatures ( R ) and an optical cryostat (Model SVT-400, Janis Research Co, USA), from which the project was originally conceived at the Applied Physics / Moessbauer spectroscopy Department from University of Duisburg-Essen, Germany. The LT-CEMS system was fully built, tested and successfully applied in a preliminary characterization of Fe/(Eu x Pb 1-x )Te(111) bilayers with use of a 15 angstrom, 57 Fe probe layer, with reasonable results at sample temperatures as low as 8 K. (author)

  17. Study on the effect of measuring methods on incident photon-to-electron conversion efficiency of dye-sensitized solar cells by home-made setup.

    Science.gov (United States)

    Guo, Xiao-Zhi; Luo, Yan-Hong; Zhang, Yi-Duo; Huang, Xiao-Chun; Li, Dong-Mei; Meng, Qing-Bo

    2010-10-01

    An experimental setup is built for the measurement of monochromatic incident photon-to-electron conversion efficiency (IPCE) of solar cells. With this setup, three kinds of IPCE measuring methods as well as the convenient switching between them are achieved. The setup can also measure the response time and waveform of the short-circuit current of solar cell. Using this setup, IPCE results of dye-sensitized solar cells (DSCs) are determined and compared under different illumination conditions with each method. It is found that the IPCE values measured by AC method involving the lock-in technique are sincerely influenced by modulation frequency and bias illumination. Measurements of the response time and waveform of short-circuit current have revealed that this effect can be explained by the slow response of DSCs. To get accurate IPCE values by this method, the measurement should be carried out with a low modulation frequency and under bias illumination. The IPCE values measured by DC method under the bias light illumination will be disturbed since the short-circuit current increased with time continuously due to the temperature rise of DSC. Therefore, temperature control of DSC is considered necessary for IPCE measurement especially in DC method with bias light illumination. Additionally, high bias light intensity (>2 sun) is found to decrease the IPCE values due to the ion transport limitation of the electrolyte.

  18. Determination of g-tensors of low-symmetry Nd{sup 3+} centers in LiNbO{sub 3} by rectification of angular dependence of electron paramagnetic resonance spectra

    Energy Technology Data Exchange (ETDEWEB)

    Grachev, V., E-mail: grachev@physics.montana.edu; Malovichko, G. [Physics Department, Montana State University, Bozeman, Montana 59717 (United States); Munro, M. [Quantel Laser, Bozeman, Montana 59715 (United States); Kokanyan, E. [Institute of Physical Researches, Ashtarak (Armenia)

    2015-07-28

    Two procedures for facilitation of line tracing and deciphering of complicated spectra of electron paramagnetic resonance (EPR) were developed: a correction of microwave frequencies for every orientation of external magnetic field on the base of known values of g-tensor components for a reference paramagnetic center and followed rectification of measured angular dependences using plots of effective deviation of g{sup 2}-factors of observed lines from effective g{sup 2}-factors of the reference center versus angles or squared cosines of angles describing magnetic field orientations. Their application to EPR spectra of nearly stoichiometric lithium niobate crystals doped with neodymium allowed identifying two axial and six different low-symmetry Nd{sup 3+} centers, to determine all components of their g-tensors, and to propose common divacancy models for a whole family of Nd{sup 3+} centers.

  19. Uranium conversion

    International Nuclear Information System (INIS)

    Oliver, Lena; Peterson, Jenny; Wilhelmsen, Katarina

    2006-03-01

    FOI, has performed a study on uranium conversion processes that are of importance in the production of different uranium compounds in the nuclear industry. The same conversion processes are of interest both when production of nuclear fuel and production of fissile material for nuclear weapons are considered. Countries that have nuclear weapons ambitions, with the intention to produce highly enriched uranium for weapons purposes, need some degree of uranium conversion capability depending on the uranium feed material available. This report describes the processes that are needed from uranium mining and milling to the different conversion processes for converting uranium ore concentrate to uranium hexafluoride. Uranium hexafluoride is the uranium compound used in most enrichment facilities. The processes needed to produce uranium dioxide for use in nuclear fuel and the processes needed to convert different uranium compounds to uranium metal - the form of uranium that is used in a nuclear weapon - are also presented. The production of uranium ore concentrate from uranium ore is included since uranium ore concentrate is the feed material required for a uranium conversion facility. Both the chemistry and principles or the different uranium conversion processes and the equipment needed in the processes are described. Since most of the equipment that is used in a uranium conversion facility is similar to that used in conventional chemical industry, it is difficult to determine if certain equipment is considered for uranium conversion or not. However, the chemical conversion processes where UF 6 and UF 4 are present require equipment that is made of corrosion resistant material

  20. Calibration of megavoltage cone-beam CT for radiotherapy dose calculations: Correction of cupping artifacts and conversion of CT numbers to electron density

    International Nuclear Information System (INIS)

    Petit, Steven F.; Elmpt, Wouter J. C. van; Nijsten, Sebastiaan M. J. J. G.; Lambin, Philippe; Dekker, Andre L. A. J.

    2008-01-01

    Megavoltage cone-beam CT (MV CBCT) is used for three-dimensional imaging of the patient anatomy on the treatment table prior to or just after radiotherapy treatment. To use MV CBCT images for radiotherapy dose calculation purposes, reliable electron density (ED) distributions are needed. Patient scatter, beam hardening and softening effects result in cupping artifacts in MV CBCT images and distort the CT number to ED conversion. A method based on transmission images is presented to correct for these effects without using prior knowledge of the object's geometry. The scatter distribution originating from the patient is calculated with pencil beam scatter kernels that are fitted based on transmission measurements. The radiological thickness is extracted from the scatter subtracted transmission images and is then converted to the primary transmission used in the cone-beam reconstruction. These corrections are performed in an iterative manner, without using prior knowledge regarding the geometry and composition of the object. The method was tested using various homogeneous and inhomogeneous phantoms with varying shapes and compositions, including a phantom with different electron density inserts, phantoms with large density variations, and an anthropomorphic head phantom. For all phantoms, the cupping artifact was substantially removed from the images and a linear relation between the CT number and electron density was found. After correction the deviations in reconstructed ED from the true values were reduced from up to 0.30 ED units to 0.03 for the majority of the phantoms; the residual difference is equal to the amount of noise in the images. The ED distributions were evaluated in terms of absolute dose calculation accuracy for homogeneous cylinders of different size; errors decreased from 7% to below 1% in the center of the objects for the uncorrected and corrected images, respectively, and maximum differences were reduced from 17% to 2%, respectively. The

  1. Confocal Raman and electronic microscopy studies on the topotactic conversion of calcium carbonate from Pomacea lineate shells into hydroxyapatite bioceramic materials in phosphate media.

    Science.gov (United States)

    dePaula, S M; Huila, M F G; Araki, K; Toma, H E

    2010-12-01

    Conversion of Pomacea lineate shells into hydroxyapatite (HA) bioceramic materials was investigated by their in vitro treatment with phosphate solutions, at room temperature. Confocal Raman microscopy revealed that the conversion proceeds at distinct rates through the nacreous or periostracum sides of the shell. The conversion can be accelerated using powdered samples, yielding biocompatible materials of great interest in biomedicine. Copyright © 2010 Elsevier Ltd. All rights reserved.

  2. Conversation Analysis.

    Science.gov (United States)

    Schiffrin, Deborah

    1990-01-01

    Summarizes the current state of research in conversation analysis, referring primarily to six different perspectives that have developed from the philosophy, sociology, anthropology, and linguistics disciplines. These include pragmatics; speech act theory; interactional sociolinguistics; ethnomethodology; ethnography of communication; and…

  3. Double photoionisation spectra of molecules

    CERN Document Server

    Eland, John

    2017-01-01

    This book contains spectra of the doubly charged positive ions (dications) of some 75 molecules, including the major constituents of terrestrial and planetary atmospheres and prototypes of major chemical groups. It is intended to be a new resource for research in all areas of molecular spectroscopy involving high energy environments, both terrestrial and extra-terrestrial. All the spectra have been produced by photoionisation using laboratory lamps or synchrotron radiation and have been measured using the magnetic bottle time-of-flight technique by coincidence detection of correlated electron pairs. Full references to published work on the same species are given, though for several molecules these are the first published spectra. Double ionisation energies are listed and discussed in relation to the molecular electronic structure of the molecules. A full introduction to the field of molecular double ionisation is included and the mechanisms by which double photoionisation can occur are examined in detail. A p...

  4. Molybdate/phosphate composite conversion coating on magnesium alloy surface for corrosion protection

    International Nuclear Information System (INIS)

    Yong Zhiyi; Zhu Jin; Qiu Cheng; Liu Yali

    2008-01-01

    In this paper, a new conversion coating-molybdate/phosphate (Mo/P) coating on magnesium alloy was prepared and investigated by electrochemical impedance spectra (EIS), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD) and salt-water immersion experiments, respectively. The results demonstrated that the Mo/P coating contained composite phases, which were consisted of metaphosphate as well as molybdate oxide with an 'alveolate-crystallized' structure. The composite Mo/P conversion coating had better corrosion resistance performance than molybdate (Mo) coating, and even had almost comparable corrosion protection for Mg alloy to the traditional chromate-based coating.

  5. The Production of Polycyclic Aromatic Hydrocarbon Anions in Inert Gas Matrices Doped with Alkali Metals. Electronic Absorption Spectra of the Pentacene Anion (C22H14(-))

    Science.gov (United States)

    Halasinski, Thomas M.; Hudgins, Douglas M.; Salama, Farid; Allamandola, Louis J.; Mead, Susan (Technical Monitor)

    1999-01-01

    The absorption spectra of pentacene (C22H14) and its radical cation (C22H14(+)) and anion (C22H14(-)) isolated in inert-gas matrices of Ne, Ar, and Kr are reported from the ultraviolet to the near-infrared. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion (and counterion) production in the solid matrix. In particular, the formation of isolated pentacene anions is found to be optimized in matrices doped with alkali metal (Na and K).

  6. Rare earth conversion coating on Mg-8.5Li alloys

    International Nuclear Information System (INIS)

    Yang Xiaowei; Wang Guixiang; Dong Guojun; Gong Fan; Zhang Milin

    2009-01-01

    The conversion coating formed by immersion in a solution containing rare earth salt on Mg-8.5Li alloy was studied and the corrosion resistance was evaluated as well. The surface morphology was observed by scanning electron microscopy (SEM), and the chemical composition was characterized by X-ray photoelectron spectroscopy (XPS). The corrosion behaviors of Mg-8.5Li alloy and conversion coating were assessed by means of potentiodynamic polarization curves, electrochemical impedance spectra (EIS) and immersion tests. The experimental results indicated that the coating with cracked morphology was homogeneous. It was mainly composed of La 2 O 3 , CeO 2 , Mn 2 O 3 and MnO 2 as detected by XPS. The results of electrochemical measurements and immersion tests revealed that the rare earth conversion coating possessed better corrosion resistance than bare alloy and chromate conversion coating.

  7. Calculation of x-ray spectra emerging from an x-ray tube. Part I. Electron penetration characteristics in x-ray targets

    International Nuclear Information System (INIS)

    Poludniowski, Gavin G.; Evans, Philip M.

    2007-01-01

    The penetration characteristics of electron beams into x-ray targets are investigated for incident electron kinetic energies in the range 50-150 keV. The frequency densities of electrons penetrating to a depth x in a target, with a fraction of initial kinetic energy, u, are calculated using Monte Carlo methods for beam energies of 50, 80, 100, 120 and 150 keV in a tungsten target. The frequency densities for 100 keV electrons in Al, Mo and Re targets are also calculated. A mixture of simple modeling with equations and interpolation from data is used to generalize the calculations in tungsten. Where possible, parameters derived from the Monte Carlo data are compared to experimental measurements. Previous electron transport approximations in the semiempirical models of other authors are discussed and related to this work. In particular, the crudity of the use of the Thomson-Whiddington law to describe electron penetration and energy loss is highlighted. The results presented here may be used towards calculating the target self-attenuation correction for bremsstrahlung photons emitted within a tungsten target

  8. Ab Initio Potential Energy Surfaces for Both the Ground (X̃1A′ and Excited (A∼1A′′ Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr

    Directory of Open Access Journals (Sweden)

    Anyang Li

    2012-01-01

    Full Text Available Ab initio potential energy surfaces for the ground (X̃1A′ and excited (A˜A′′1 electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations.

  9. Influence of the growth method on the photoluminescence spectra and electronic properties of CuInS{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mudryi, A.V. [Scientific-Practical material Research Centre of the National Academy of Sciences of Belarus, P.Brovki 19, 220072 Minsk (Belarus); Department of Physics, SUPA, Strathclyde University, G4 0NG Glasgow (United Kingdom); Yakushev, M.V., E-mail: michael.yakushev@strath.ac.uk [Department of Physics, SUPA, Strathclyde University, G4 0NG Glasgow (United Kingdom); Ural Federal University, Ekaterinburg 620002 (Russian Federation); Institute of Solid State Chemistry of the Urals Branch of the Russian Academy of Scienses, Ekaterinburg 620990 (Russian Federation); Volkov, V.A. [Ural Federal University, Ekaterinburg 620002 (Russian Federation); Zhivulko, V.D.; Borodavchenko, O.M. [Scientific-Practical material Research Centre of the National Academy of Sciences of Belarus, P.Brovki 19, 220072 Minsk (Belarus); Martin, R.W. [Department of Physics, SUPA, Strathclyde University, G4 0NG Glasgow (United Kingdom)

    2017-06-15

    A comparative analysis of free and bound excitons in the photoluminescence (PL) spectra of CuInS{sub 2} single crystals grown by the traveling heater (THM) and the chemical vapor transport (CVT) methods is presented. The values of the binding energy of the A free exciton (18.5 and 19.7 meV), determined by measurements of the spectral positions of the ground and excited states, allowed the Bohr radii (3.8 and 3.7 nm), bandgaps (1.5536 and 1.5548 eV) and dielectric constants (10.2 and 9.9) to be calculated for CuInS{sub 2} crystals grown by THM and CVT, respectively.

  10. Calculations of the electronic levels, spin-Hamiltonian parameters and vibrational spectra for the CrCl{sub 3} layered crystals

    Energy Technology Data Exchange (ETDEWEB)

    Avram, C.N. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Gruia, A.S., E-mail: adigruia@yahoo.com [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Barb, A.M. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania)

    2015-12-01

    Calculations of the Cr{sup 3+} energy levels, spin-Hamiltonian parameters and vibrational spectra for the layered CrCl{sub 3} crystals are reported for the first time. The crystal field parameters and the energy level scheme were calculated in the framework of the Exchange Charge Model of crystal field. The spin-Hamiltonian parameters (zero-field splitting parameter D and g-factors) for Cr{sup 3+} ion in CrCl{sub 3} crystals were obtained using two independent techniques: i) semi-empirical crystal field theory and ii) density functional theory (DFT)-based model. In the first approach, the spin-Hamiltonian parameters were calculated from the perturbation theory method and the complete diagonalization (of energy matrix) method. The infrared (IR) and Raman frequencies were calculated for both experimental and fully optimized geometry of the crystal structure, using CRYSTAL09 software. The obtained results are discussed and compared with the experimental available data.

  11. Phase transformation in multiferroic Bi5Ti3FeO15 ceramics by temperature-dependent ellipsometric and Raman spectra: An interband electronic transition evidence

    Science.gov (United States)

    Jiang, P. P.; Duan, Z. H.; Xu, L. P.; Zhang, X. L.; Li, Y. W.; Hu, Z. G.; Chu, J. H.

    2014-02-01

    Thermal evolution and an intermediate phase between ferroelectric orthorhombic and paraelectric tetragonal phase of multiferroic Bi5Ti3FeO15 ceramic have been investigated by temperature-dependent spectroscopic ellipsometry and Raman scattering. Dielectric functions and interband transitions extracted from the standard critical-point model show two dramatic anomalies in the temperature range of 200-873 K. It was found that the anomalous temperature dependence of electronic transition energies and Raman mode frequencies around 800 K can be ascribed to intermediate phase transformation. Moreover, the disappearance of electronic transition around 3 eV at 590 K is associated with the conductive property.

  12. Pictorial Conversations.

    Science.gov (United States)

    Hooper, Kristina

    1982-01-01

    Provides the rationale for considering communication in a graphic domain and suggests a specific goal for designing work stations which provide graphic capabilities in educational settings. The central element of this recommendation is the "pictorial conversation", a highly interactive exchange that includes pictures as the central elements.…

  13. Energy spectra and oscillatory magnetization of two-electron self-assembled Inx Ga1-x As quantum rings in GaAs

    NARCIS (Netherlands)

    Fomin, V.M.; Gladilin, V.N.; Devreese, J.T.; Kleemans, N.A.J.M.; Koenraad, P.M.

    2008-01-01

    The effects of the Coulomb interaction on the energy spectrum and the magnetization of two electrons in a strained Inx Ga1-x As/GaAs ringlike nanostructure are analyzed with realistic parameters inferred from the cross-sectional scanning-tunneling microscopy data. With an increasing magnetic field,

  14. Electronic structure optical spectra and contact hyperfine parameters of CoF64- complex in LiF and KMgF3

    International Nuclear Information System (INIS)

    Albuquerque, E.L. de.

    1975-12-01

    The electronic structure, the optical absorption bands and the magnetic hyperfine contact terms have been calculated for CoF 6 4- cluster in LiF and KMgF 3 using the Self-Consistent-Field Multiple-Scattering Xα Method. The results obtained are compared with experiment and indicate that this scheme is convenient to treat such complex problems. (Author) [pt

  15. Electronic structure of the misfit layer compound (SnS)(1.20)TiS2 : Band structure calculations and photoelectron spectra

    NARCIS (Netherlands)

    Fang, CM; deGroot, RA; Wiegers, GA; Haas, C

    1996-01-01

    In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)(1.20)TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

  16. Electronic structure of the misfit layer compound (SnS)1.20TiS2 : band structure calculations and photoelectron spectra

    NARCIS (Netherlands)

    Fang, C.M.; Groot, R.A. de; Wiegers, G.A.; Haas, C.

    1996-01-01

    In order to understand the electronic structure of the incommensurate misfit layer compound (SnS)1.20TiS2 we carried out an ab initio band structure calculation in the supercell approximation. The band structure is compared with that of the components 1T-TiS2 and hypothetical SnS with a similar

  17. The line shape analysis of electron spectroscopy spectra by the artifical intelligence methods for identification of C sp.sup.2./sup./sp.sup.3./sup. bonds

    Czech Academy of Sciences Publication Activity Database

    Lesiak, B.; Zemek, Josef; Jiříček, Petr; Stobinski, L.; Jozwik, A.

    2010-01-01

    Roč. 247, 11-12 (2010), s. 2838-2842 ISSN 0370-1972 R&D Projects: GA ČR GA202/09/0428 Institutional research plan: CEZ:AV0Z10100521 Keywords : carbon nanotubes * temperature functionalization * electron spectroscopy * line shape analysis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.344, year: 2010

  18. Stannate conversion coatings on Mg-8Li alloy

    International Nuclear Information System (INIS)

    Yang Lihui; Zhang Milin; Li Junqing; Yu Xiang; Niu Zhongyi

    2009-01-01

    The stannate conversion coatings (SnCC) on Mg-8Li alloy were investigated by simple immersion method. The surface morphology and composition were studied by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) and X-ray diffraction spectroscopy (XRD) techniques. The corrosion resistance was assessed by means of potentiodynamic polarization measurements and electrochemical impedance spectra (EIS). The effects of time of a stannate bath on the quality of stannate conversion coatings were investigated by SEM and EIS. It was found that the coating particles were mainly composed of hemispherical particles MgSnO 3 .3H 2 O. A comparison of results revealed the coating treated for 60 min exhibited the most uniform, dense and corrosion-resistant

  19. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  20. Phase transformation in multiferroic Bi5Ti3FeO15 ceramics by temperature-dependent ellipsometric and Raman spectra: An interband electronic transition evidence

    International Nuclear Information System (INIS)

    Jiang, P. P.; Duan, Z. H.; Xu, L. P.; Zhang, X. L.; Li, Y. W.; Hu, Z. G.; Chu, J. H.

    2014-01-01

    Thermal evolution and an intermediate phase between ferroelectric orthorhombic and paraelectric tetragonal phase of multiferroic Bi 5 Ti 3 FeO 15 ceramic have been investigated by temperature-dependent spectroscopic ellipsometry and Raman scattering. Dielectric functions and interband transitions extracted from the standard critical-point model show two dramatic anomalies in the temperature range of 200–873 K. It was found that the anomalous temperature dependence of electronic transition energies and Raman mode frequencies around 800 K can be ascribed to intermediate phase transformation. Moreover, the disappearance of electronic transition around 3 eV at 590 K is associated with the conductive property