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.

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

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.

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.

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

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

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

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).

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.)

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.

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.)

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

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.

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

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.

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.)

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

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

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

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.

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)

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.

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)

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

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

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

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

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.

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.

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.

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.

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...

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.

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.

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)

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.

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...

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

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

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

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)

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.

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).

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.

Kβ 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

Kβ 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

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.

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.)

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.

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)

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

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

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.

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.

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.

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.

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)

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

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.

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.

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

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.

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

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)

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.))

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.

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

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

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

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.

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

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

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.

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.

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

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...

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

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.

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

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.)

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...

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)

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)

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

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

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)

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

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.

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

Recombination luminescence from H centers and conversion of H centers into I centers in alkali iodides

International Nuclear Information System (INIS)

Berzina, B.J.

1981-01-01

The study is aimed at the search for H-plus-electron centers of luminescence and the investigation of the conversion of H- into I centers by the luminescence of H-plus-electron centers in alkali iodide crystals. KI, RbI and NaI crystals were studied at 12 K. H and F centers were created by irradiation with ultraviolet light corresponding to the absorption band of anion excitons. Then the excitation of electron centers by red light irradiation was followed. The spectra of stimulated recombination luminescence were studied. The luminescence of H-plus- electron centers had been observed and the conclusion was made that this center was formed on immobile H centers. In case of stable H centers the optically stimulated conversion of H centers into I centers occurs. The assumption is advanced on the spontaneous annihilation of near placed unstable F, H centers which leads to the creation of H-plus-electron luminescence centers and to the spontaneous H-I-centers conversion [ru

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)

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

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%

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

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

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.

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

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.

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.

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

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.

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.

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.

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.

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

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)

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.

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.

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)

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

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)

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.

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).

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.

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.

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

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.

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

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

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...

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.

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.

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.

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)

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.

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.

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.

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.

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.)

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)

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

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.

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)

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%.

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%.

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.

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.

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).

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....

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...

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

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)

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)

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.

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.

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

Relaxation mechanism of the hydrated electron.

Science.gov (United States)

Elkins, Madeline H; Williams, Holly L; Shreve, Alexander T; Neumark, Daniel M

2013-12-20

The relaxation dynamics of the photoexcited hydrated electron have been subject to conflicting interpretations. Here, we report time-resolved photoelectron spectra of hydrated electrons in a liquid microjet with the aim of clarifying ambiguities from previous experiments. A sequence of three ultrashort laser pulses (~100 femtosecond duration) successively created hydrated electrons by charge-transfer-to-solvent excitation of dissolved anions, electronically excited these electrons via the s→p transition, and then ejected them into vacuum. Two distinct transient signals were observed. One was assigned to the initially excited p-state with a lifetime of ~75 femtoseconds, and the other, with a lifetime of ~400 femtoseconds, was attributed to s-state electrons just after internal conversion in a nonequilibrated solvent environment. These assignments support the nonadiabatic relaxation model.

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.

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.

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

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.

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

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.

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.

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.

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

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.

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.

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.

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

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.

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

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.

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.

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

Microwave-assisted synthesis of lanthanum conversion coating on Mg-Li alloy and its corrosion resistance

International Nuclear Information System (INIS)

Song Dalei; Jing Xiaoyan; Wang Jun; Lu Shanshan; Yang Piaoping; Wang Yanli; Zhang Milin

2011-01-01

Graphical abstract: Highlights: → The method of microwave is used to synthesize lanthanum conversion coating. → Lanthanum conversion coating on Mg-Li alloy was studied. → Different conditions between room temperature and microwave were compared. → The corrosion behavior of lanthanum conversion coatings was studied. → The corrosion mechanism of lanthanum conversion coatings was studied. - Abstract: Lanthanum-based conversion coating on Mg-Li alloy has been prepared by a microwave-assisted method. X-ray diffractions (XRD) indicate that the intermetallic compounds of lanthanum are formed on Mg-Li alloy surface. Scanning electron microscopy (SEM) images show that the coating has different morphologies and special structures. The corrosion resistance was assessed by means of potentiodynamic polarization curves and electrochemical impedance spectra (EIS). The results indicate that this coating significantly reduces the corrosion rate of Mg-Li alloy in NaCl solution. A comparing experiment indicates that the coating prepared by microwave-assisted process has superior corrosion resistance to the coating obtained at room temperature.

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

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

Measurement of semi-electronic beauty-hadron decays via their impact parameter in pp collisions in ALICE

International Nuclear Information System (INIS)

Heide, Markus Ansgar

2014-01-01

The measurement of beauty-hadron decays via the detection of electron tracks that are displaced from the primary vertex can be performed with ALICE, whose capabilities of electron identification and tracking fulfil all requirements for this task. While the large corresponding branching ratios guarantee sufficient yields of beauty-decay electrons at LHC energies, the wide electron impact parameter distribution due to the long lifetime and the decay kinematics of beauty hadrons allows for a separation of electrons from beauty-hadron decays from background electrons on a statistical basis. This thesis presents the analysis of electrons from beauty-hadron decays in protonproton collisions at centre-of-mass energies of 7 TeV and 2.76 TeV. Using the ALICE central-barrel detectors ITS, TPC, and TOF, p T -differential electron spectra are measured at mid-rapidity (vertical stroke y vertical stroke <0.8) for transverse momenta between 1 and 8 GeV/c. Information from the TPC and TOF signal is combined to select pure electron samples, whose signal-to-background ratio is subsequently enhanced via the requirement of a minimal impact parameter of the tracks towards the primary vertex in the x - y plane. Tracks from photon conversions occurring outside the innermost ITS layer, which have a wide impact parameter distribution, are rejected via the requirement of hits in both SPD layers of the ITS. The remaining hadron contamination in the selected electron track samples is determined on a statistical basis from the distributions of their energy deposition per unit of length in the TPC. A crucial challenge of this analysis is the subtraction of the electron background originating from charm decays, photon conversions, and light-meson decays from the measured inclusive electron spectrum. The corresponding electron yields are determined using spectra from PYTHIA simulations that are reweighted based on previous measurements of charmed hadrons, π 0 , and η. Minor contributions from

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

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

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.

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)

Resonance internal conversion as a way of accelerating nuclear processes

International Nuclear Information System (INIS)

Karpeshin, F.F.

2006-01-01

Theory of resonance conversion is presented. Being a natural extension of the traditional internal conversion into the subthreshold area, resonance conversion in a number of cases strongly affects the nuclear processes. Moreover, concentrating the transition strength on the narrow bands corresponding to the spectral atomic lines, it offers a unique tool capable of accelerating nuclear decay rates. Furthermore, along with the conventional nonradiative process of nuclear excitation through NEET and its reverse, TEEN, resonance conversion offers an appropriate mathematics for consideration of a number of cross-invariant processes involving both nuclei and electrons: excitation and deexcitation of the nuclei by hyperfine magnetic field, nuclear spin mixing, hyperfine interaction and magnetic anomalies in the atomic spectra, collisional nuclear excitation via ionization of the shells in the muon decay in the orbit, etc. The mechanisms of the optical pumping of the isomers are also considered, as well as triggering their energy in the resonance field of a laser. The effect is especially high in the hydrogen-like heavy ions due to practical absence of any damping of the resonance. The theory is also generalized to the case of the discrete Auger transitions [ru

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)

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)

Library search with regular reflectance IR spectra

International Nuclear Information System (INIS)

Staat, H.; Korte, E.H.; Lampen, P.

1989-01-01

Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

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)

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

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

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.

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.

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)

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.

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.

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

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

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

White top-emitting OLEDs using organic colour-conversion layers for improved colour-stability

Energy Technology Data Exchange (ETDEWEB)

Schwab, Tobias; Hofmann, Simone; Thomschke, Michael; Luessem, Bjoern; Leo, Karl [Institut fuer Angewandte Photophysik, Technische Universitaet Dresden (Germany)

2011-07-01

In contrast to white organic light-emitting diodes (OLEDs) using several vertical stacked emitters, the principle of down-conversion gives the chance to achieve white light with a simplified layer structure and enhanced colour stability by preventing a colour shift over lifetime due to differential aging of dyes. We investigate an approach where the conversion material is integrated into a top-emitting OLED structure in a way, that only electrons can pass this layer. This assures optical excitation and avoids unwanted electrical recombination inside the conversion layer. The emission spectra, CIE-coordinates, efficiencies, and IV-characteristics depending on the conversion layer thickness have been determined and were compared to the non-emitting host-material with similar optical properties. Lifetime measurements show that these OLEDs have almost no colour change over an investigated period up to 2200 hours. It is shown that the external quantum efficiency of the OLED does not necessarily decrease with an increased conversion layer thickness, even if the photoluminescence quantum yield of these materials is below unity. This indicates that the efficiency is improved by out-coupling of isotropic re-emitted wave-guided modes.

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.

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.

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)

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

Methods for locating ground faults and insulation degradation condition in energy conversion systems

Science.gov (United States)

Agamy, Mohamed; Elasser, Ahmed; Galbraith, Anthony William; Harfman Todorovic, Maja

2015-08-11

Methods for determining a ground fault or insulation degradation condition within energy conversion systems are described. A method for determining a ground fault within an energy conversion system may include, in part, a comparison of baseline waveform of differential current to a waveform of differential current during operation for a plurality of DC current carrying conductors in an energy conversion system. A method for determining insulation degradation within an energy conversion system may include, in part, a comparison of baseline frequency spectra of differential current to a frequency spectra of differential current transient at start-up for a plurality of DC current carrying conductors in an energy conversion system. In one embodiment, the energy conversion system may be a photovoltaic system.

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)

Measurement of semi-electronic beauty-hadron decays via their impact parameter in pp collisions in ALICE

Energy Technology Data Exchange (ETDEWEB)

Heide, Markus Ansgar

2014-03-19

The measurement of beauty-hadron decays via the detection of electron tracks that are displaced from the primary vertex can be performed with ALICE, whose capabilities of electron identification and tracking fulfil all requirements for this task. While the large corresponding branching ratios guarantee sufficient yields of beauty-decay electrons at LHC energies, the wide electron impact parameter distribution due to the long lifetime and the decay kinematics of beauty hadrons allows for a separation of electrons from beauty-hadron decays from background electrons on a statistical basis. This thesis presents the analysis of electrons from beauty-hadron decays in protonproton collisions at centre-of-mass energies of 7 TeV and 2.76 TeV. Using the ALICE central-barrel detectors ITS, TPC, and TOF, p{sub T}-differential electron spectra are measured at mid-rapidity (vertical stroke y vertical stroke <0.8) for transverse momenta between 1 and 8 GeV/c. Information from the TPC and TOF signal is combined to select pure electron samples, whose signal-to-background ratio is subsequently enhanced via the requirement of a minimal impact parameter of the tracks towards the primary vertex in the x - y plane. Tracks from photon conversions occurring outside the innermost ITS layer, which have a wide impact parameter distribution, are rejected via the requirement of hits in both SPD layers of the ITS. The remaining hadron contamination in the selected electron track samples is determined on a statistical basis from the distributions of their energy deposition per unit of length in the TPC. A crucial challenge of this analysis is the subtraction of the electron background originating from charm decays, photon conversions, and light-meson decays from the measured inclusive electron spectrum. The corresponding electron yields are determined using spectra from PYTHIA simulations that are reweighted based on previous measurements of charmed hadrons, π{sup 0}, and η. Minor

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

Electronic structure of Pt-Co cathode catalysts in membrane electrolyte assembly observed by X-ray absorption fine structure spectroscopy with different probing depth

International Nuclear Information System (INIS)

Kobayashi, M.; Hidai, S.; Niwa, H.; Harada, Y.; Oshima, M.; Ofuchi, H.; Nakamori, Y.; Aoki, T.

2010-01-01

Electronic structures of Pt-Co cathode and Pt-Ru anode catalysts in membrane electrolyte assemblies (MEAs) for polymer electrolyte fuel cell have been investigated using X-ray absorption near edge structure (XANES) spectroscopy, and the changes of electronic structures accompanied with degradation have been observed by comparison between spectra obtained by fluorescence-yield (FY) and conversion-electron-yield (CEY) methods, probing depths of which are several hundreds μm and ∼100 nm, respectively. The Co K XANES spectra of the as-fabricated MEA show that the Co atoms in the cathode are metallic and oxidized Co ions exist at the interface between the cathode and electrolyte. The spectra of the long-time operated MEA suggest that the oxidation of Co makes progress with degradation of the cathode catalysts. In contrast to the Co K XANES spectra, the line shape of the Ru K XANES spectra is unchanged even after the long-time operation.

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

Measurement of secondary cosmic radiation and calculation of associated dose conversion coefficients for humans

International Nuclear Information System (INIS)

Simmer, Gregor

2012-01-01

Due to secondary cosmic radiation (SCR), pilots and flight attendants receive elevated effective doses at flight altitudes. For this reason, since 2003 aircrew members are considered as occupationally exposed, in Germany. This work deals with the calculation of dose conversion coefficients (DCC) for protons, neutrons, electrons, positrons, photons and myons, which are crucial for estimation of effective dose from SCR. For the first time, calculations were performed combining Geant4 - a Monte Carlo code developed at CERN - with the voxel phantoms for the reference female and male published in 2008 by ICRP and ICRU. Furthermore, measurements of neutron fluence spectra - which contribute the major part to the effective dose of SCR - were carried out at the Environmental Research Station Schneefernerhaus (UFS) located at 2650 m above sea level nearby the Zugspitze mountain, Germany. These measured neutron spectra, and additionally available calculated spectra, were then folded with the DCC calculated in this work, and effective dose rates for different heights were calculated.

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 ...

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

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

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.

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.

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

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.

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.

Parametric down conversion of X-rays, recent experiments

CERN Document Server

Adams, B; Novikov, D V; Materlik, G; Mills, D M

2001-01-01

Parametric down conversion of X-ray photons in diamond crystals was detected in six experiments, all using the phase matching scheme first employed in the X-ray regime by Eisenberger and McCall (Eisenberger and McCall, Phys. Rev. Lett. 26 (1971) 684). The conversion events were detected by a combination of time correlation spectroscopy and energy discrimination. The time correlation spectra gave a direct comparison of the conversion rate over the accidental coincidence rate.

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

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.)

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.

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

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.

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.

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.

Theoretical studies on core-level spectra of solids

International Nuclear Information System (INIS)

Kotani, Akio

1995-01-01

I present a review on theoretical studies of core-level spectra (CLS) in solids. In CLS, the dynamical response of outer electrons to a core hole is reflected through the screening of core hole potential. Impurity Anderson model (IAM) or cluster model is successfully applied to the analysis of X-ray photoemission spectra (XPS) and X-ray absorption spectra (XAS) in f and d electron systems, where the f and d electron states are hybridized with the other valence or conduction electron states. The effect of the core-hole potential in the final state of XPS and XAS plays an important role, as well as the solid state hybridization and intra-atomic multiplet coupling effects. As typical examples, the calculated results for XPS of rare-earth compounds and transition metal compounds are shown, and some discussions are given. As a subject of remarkable progress with high brightness synchrotron radiation sources, I discuss some theoretical aspects of X-ray emission spectra (XES) and their resonant enhancement at the X-ray absorption threshold. Some experimental data and their theoretical analysis are also given. (author)

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

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.

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

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

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

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.

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

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)

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

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.)

Soft x-ray absorption spectra of ilmenite family.

Science.gov (United States)

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

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

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)

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

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

Isochoric heating of reduced mass targets by ultra-intense laser produced relativistic electrons

Energy Technology Data Exchange (ETDEWEB)

Neumayer, P; Lee, H J; Offerman, D; Shipton, E; Kemp, A; Kritcher, A L; Doppner, T; Back, C A; Glenzer, S H

2009-02-04

We present measurements of the chlorine K-alpha emission from reduced mass targets, irradiated with ultra-high intensity laser pulses. Chlorinated plastic targets with diameters down to 50 micrometers and mass of a few 10{sup -8} g were irradiated with up to 7 J of laser energy focused to intensities of several 10{sup 19} W/cm{sup 2}. The conversion of laser energy to K-alpha radiation is measured, as well as high resolution spectra that allow observation of line shifts, indicating isochoric heating of the target up to 18 eV. A zero-dimensional 2-temperature equilibration model, combined with electron impact K-shell ionization and post processed spectra from collisional radiative calculations reproduces the observed K-alpha yields and line shifts, and shows the importance of target expansion due to the hot electron pressure.

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.

/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.

Measurement of positron spectra after heavy ion collisions with special weighting of the data processing

International Nuclear Information System (INIS)

Weik, F.

1981-01-01

The measurement of positron spectra of the supercritical 238 U - 238 U system is described, at which the 1ssub(sigma)-level should dip into the negative energy continuum. For the comparison the measurement of the subcritical 238 U - 208 Pb and the nuclear system 238 U - 108 Pd are used. All measurements were performed at 5.9 MeV/A. For the detection of the positrons a solenoid transport system with 2 Si(Li) diodes as energy determining elements and with 4 NaI crystals for the identification by the 511 keV annihilation radiation in coincidence were used. The electronics, the data acquisition on the base of a process computer with coupling to an IBM computer and the analysis are extensively described. To this belongs also an unfolding procedure of a model response function for positron and gamma spectra. The unfolded positron spectra were corrected under assumption of E1-Conversion coefficients to the nuclear contribution which were fitted to the 238 U - 108 Pd system. The positron spectrum of the supercritical 238 U - 238 U shows no evident indication which may lead to the conclusion of a dipping of the 1ssub(sigma) level. (orig.) [de

Reactor antineutrino spectra and their application to antineutrino-induced reactions II

International Nuclear Information System (INIS)

Vogel, P.; Schenter, G.K.; Mann, F.M.; Schenter, R.E.

1980-12-01

The antineutrino and electron spectra associated with various nuclear fuels are calculated. There are substantial differences between the spectra of different uranium and plutonium isotopes. On the other hand, the dependence on the energy and flux of the fission inducing neutrons is very weak. The resulting spectra can be used for calculation of the antineutrino and electron spectra of an arbitrary nuclear reactor at various stages of its refueling cycle. The sources of uncertainties in the spectrum are identified and analyzed in detail. The exposure time dependence of the spectrum is also discussed. The resulting anti ν/sub e/ spectra are then used to calculate the averaged cross sections of the inverse neutron β decay, weak charged and neutral current induced deuteron disintegration, and the antineutrino-electron scattering

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.

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...

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

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.

Proposal of energy spectra for earthquake resistant design based on turkish registers

OpenAIRE

Yazgan, Ahmet Utku

2012-01-01

This work proposes design energy spectra in terms of an equivalent velocity, intended for regions with design peak acceleration 0.3 g or higher. These spectra have been derived through linear and nonlinear dynamic analyses on a number of Turkish selected strong ground motion records. In the long and mid period ranges the analyses are linear, taking profit of the rather insensitivity of the spectra to the structural parameters other than the fundamental period; conversely, in the short period ...

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.)

Interference effects in Moessbauer spectra of M1-transitions

International Nuclear Information System (INIS)

Peregudov, V.N.

1980-01-01

The purpose of the study is the calculation of interference effects in Moessbauer spectra of the (γ, e) reaction. Two channels of the inelastic (γ, e) reaction are considered: resonance gamma radiation absorption by nucleus accompanied by internal conversion and photo absorption by atomic electrons. The case of M1 nuclear transition multipolarity is considered. The expression for angular dependence coefficients of interference member is obtained. General expression for (γ, e) reaction cross section is obtained in a long-wave approximation for the case when the specimen is placed in longitudinal magnetic field involving superfine nuclear level splitting. The results of disperse amplitudes calculation for 93 Kr, 119 Sn, 129 I, 149 Sm, 151 Eu, 169 Tm, 183 W, 193 Ir, 197 Au nuclei are verified. The calculations show that maximum interference effect in the (γ, e) reaction should be expected for 169 Tm isotope [ru

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.

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.

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

Pseudo-topotactic conversion of carbon nanotubes to T-carbon nanowires under picosecond laser irradiation in methanol.

Science.gov (United States)

Zhang, Jinying; Wang, Rui; Zhu, Xi; Pan, Aifei; Han, Chenxiao; Li, Xin; Dan Zhao; Ma, Chuansheng; Wang, Wenjun; Su, Haibin; Niu, Chunming

2017-09-25

Pseudo-topotactic conversion of carbon nanotubes into one-dimensional carbon nanowires is a challenging but feasible path to obtain desired diameters and morphologies. Here, a previously predicted but experimentally unobserved carbon allotrope, T-carbon, has been produced from pseudo-topotactic conversion of a multi-walled carbon nanotube suspension in methanol by picosecond pulsed-laser irradiation. The as-grown T-carbon nanowires have the same diameter distribution as pristine carbon nanotubes, and have been characterized by high-resolution transmission electron microscopy, fast Fourier transform, electron energy loss, ultraviolet-visible, and photoluminescence spectroscopies to possess a diamond-like lattice, where each carbon is replaced by a carbon tetrahedron, and a lattice constant of 7.80 Å. The change in entropy from carbon nanotubes to T-carbon reveals the phase transformation to be first order in nature. The computed electronic band structures and projected density of states are in good agreement with the optical absorption and photoluminescence spectra of the T-carbon nanowires.T-carbon is a previously predicted but so far unobserved allotrope of carbon, with a crystal structure similar to diamond, but with each atomic lattice position replaced by a carbon tetrahedron. Here, the authors produce T-carbon nanowires via laser-irradiating a suspension of carbon nanotubes in methanol.

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.

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.

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

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.

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.

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.

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.)

Evidence of conversion from Z-mode waves to the electromagnetic L-O mode waves at the plasmapause detected by JIKIKEN (EXOS-B)

International Nuclear Information System (INIS)

Oya, Hiroshi; Morioka, Akira

1982-01-01

JIKIKEN satellite that has the initial perigee and apogee of 250 km and 30,050 km, respectively, and has an inclination of -31 0 has passed through critical regions where the AKR spectra were carved out by the plasma surounding the satellite, at least five times during a period from January 31, 1979, to June 21, 1980. On all these occasions the usual type of AKR spectra are disclosed to show cutoff phenomena at the local Z-cutoff frequency indicating a continuation crossing over the local X-cutoff frequency from the high frequency side down to the Z mode wave frequency range rather than to be cut at the local X-cutoff frequency; i.e., the AKR waves consist of the spectra that continuously cover the frequency range corresponding to Z-mode and L-O mode waves when the observation is made near the source region. The most posible mechanism that can give cinsistent interpretations to this spectra characteristics is the mode conversion theory; i.e., the plasma waves generated in the form of the hybrid mode waves in the source regions is converted into the Z-mode wave which propagates towards dense plasma regions where the wave frequency coincides with the local plasma frequency and a part of the energy of Z-mode waves is transported to the L-O mode waves that can escape towards outer space. This conversion mechanism gives also a self-consistent interpretation of previously presented evidences reported as the cutoff phenomena of AKR near the local electron cyclotron frequency, using the mechanism of the propagation of the Z-mode waves. There is no confliction between the conversion mechanism of the AKR generation and the previous polarization observation carried out by the Voyager spacecrafts because there remains wide variety of the selection of the source region that are pertinent to give the possiblity of the LH polarization waves as the results of the conversion of the radiation waves from the Z-mode to the L-O mode in the northern polar regions. (author)

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

Computation of cosmic radiation spectra and application to aircrew dosimetry

International Nuclear Information System (INIS)

Yoo, Song Jae

2002-02-01

Using the Monte Carlo radiation transport code FLUKA- 99, secondary cosmic radiation energy spectra and intensities of neutrons, protons, photons, electrons, and muons were calculated for different geographical latitude and longitude at the commercial jet's altitudes ranging from 27000 ft to 41000 ft. The Badhwar's proton model was used to construct the primary cosmic radiation spectrum and effect of the vertical cutoff rigidity was considered after spectra similar to those given in literature were resulted. By applying the effective dose conversion factors, a calculation tool for aircrew doses was developed. According to the resulting dose rate distribution, effective dose rate over North pole region is around three times of that over equator region due to the geomagnetical shielding effect. Illustrative assessments of aircrew doses were made for four distinctive routes of Korean airliners : Seoul - New York (USA), London (UK), Sydney (Australia) and Mumbai(India). The effective doses to aircrew incurred from a round trip were 0.047, 0.055, 0.018, and 0.018μSv, respectively. If aircrew work 500 hour s a year at the cruise altitude of a international airline, the individual dose would reach 2 mSv which is about the same size as the average annual dose of workers at a nuclear power plant

Nano-grain SnO{sub 2} electrodes for high conversion efficiency SnO{sub 2}-DSSC

Energy Technology Data Exchange (ETDEWEB)

Lee, Jung-Hoon; Shin, Yu-Ju [Department of Chemistry, the Catholic University of Korea, Bucheon, Gyeonggi-do 422-743 (Korea, Republic of); Park, Nam-Gyu [School of Chemical Engineering, Sungkyunkwan University, Suwon, Gyeonggi-do 440-746 (Korea, Republic of)

2011-01-15

The nano-grain ZnO/SnO{sub 2} composite electrode was prepared by adding 5 w% of the 200-250 nm ZnO particles to the 5 nm SnO{sub 2} colloid in the presence of hydroxypropylcellulose (M.W.=80,000). The nano-grain SnO{sub 2} electrode was obtained by removing the ZnO particles from the composite electrode using acetic acid. The FE-SEM micrographs revealed that both electrodes consisted of interconnected nano-grains that were ca. 800 nm in size, and the large pores between the grains furnished the wide electrolyte diffusion channels within the electrodes. The photovoltaic properties of the nano-grain electrodes were investigated by measuring the I-V behaviors, the IPCE spectra and the ac-impedance spectra. The nano-grain electrodes exhibited remarkably improved conversion efficiencies of 3.96% for the composite and 2.98% for the SnO{sub 2} electrode compared to the value of 1.66% for the usual nano-particle SnO{sub 2} electrode. The improvement conversion efficiencies were mainly attributed to the formation of nano-grains, which facilitated the electron diffusion within the grains. The improved electrolyte diffusion as well as the light-scattering effects enhanced the photovoltaic performance of the SnO{sub 2} electrode. (author)

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)

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

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...

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

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)

Delta-electron spectroscopy: An aid for the determination of reaction times in heavy ion reactions

International Nuclear Information System (INIS)

Skapa, H.

1983-01-01

For the systems I->Au and I->Bi at an incident energy of 6.2 MeV/u (I->Au) and 6.6 MeV/u (I->Bi) the emission probability of delta electrons was determined. In an energy range from 150 KeV to 1000 KeV electrons were spectroscoped in coincidence to elastically, quasielastically, and deep inelastically scattered ions. In deep inelastic reaction between reaction products with high and without a mean mass drift was discriminated. The contribution of the conversion electrons, determined from gamma spectra, extends in the range of deep inelastic reactions of about 60%. While the ratio of conversion electrons for deep inelastic events with large to such without mass drift shows a flat, monotoneous growth for the ratio of the measured emission probabilities a oscillation-like structure with about 400 KeV width results. An interpretation of this structure as interference effect by nuclear time delay yields for the case of large mass drift a nuclear retention time of 7.5 x 10 -21 s. (orig./HSI) [de

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

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)

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.

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.

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.

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

Microstructure and corrosion resistance of Ce–V conversion coating on AZ31 magnesium alloy

International Nuclear Information System (INIS)

Jiang, Xiao; Guo, Ruiguang; Jiang, Shuqin

2015-01-01

Highlights: • Through simple chemical conversion process, a Ce–V conversion coating is prepared on AZ31 magnesium alloy. The coating (∼2 μm thick) has a duplex structure and is composed of Mg, Al, Ce, V and O in the outer layer and Mg, Al, V, F and O in the inner layer. • The Ce–V conversion coating can increase the E corr by 157 mV and decrease the i corr by 80 times compared to AZ31 magnesium alloy substrate. Moreover, the performance of the Ce–V conversion coating excels the chromate conversion coating on AZ31 magnesium alloy. • The EIS results of Ce–V conversion coating indicate an increase of 10× in the corrosion resistance and a delay in the corrosion process kinetics compared to uncoated AZ31 magnesium alloy in 3.5 wt.% NaCl solution. • The ball cratering is a simple and effective technique of thickness measurement for chemical conversion coating. - Abstract: A Ce–V conversion coating was developed to improve the corrosion resistance of AZ31 magnesium alloy. Scanning electronic microscope (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectrometer (XPS), grazing incidence X-ray diffraction (GIXRD) and the ball cratering test were adopted to study the morphology, chemical composition, structure and thickness of the coating. The coating has duplex structure with network and its thickness is about 2 μm. The coating contains high contents of Ce and V, which exhibits amorphous structure. Potentiodynamic polarization shows the coating can increase the corrosion potential and reduce the corrosion current density of AZ31 magnesium alloy. Moreover, the electrochemical impedance spectra exhibit the coating significantly improves the corrosion resistance of AZ31 magnesium alloy. Results indicate that the Ce–V conversion coating can provide effective protection to AZ31 magnesium alloy

Microstructure and corrosion resistance of Ce–V conversion coating on AZ31 magnesium alloy

Energy Technology Data Exchange (ETDEWEB)

Jiang, Xiao, E-mail: xiaoxiao217@126.com; Guo, Ruiguang; Jiang, Shuqin

2015-06-30

Highlights: • Through simple chemical conversion process, a Ce–V conversion coating is prepared on AZ31 magnesium alloy. The coating (∼2 μm thick) has a duplex structure and is composed of Mg, Al, Ce, V and O in the outer layer and Mg, Al, V, F and O in the inner layer. • The Ce–V conversion coating can increase the E{sub corr} by 157 mV and decrease the i{sub corr} by 80 times compared to AZ31 magnesium alloy substrate. Moreover, the performance of the Ce–V conversion coating excels the chromate conversion coating on AZ31 magnesium alloy. • The EIS results of Ce–V conversion coating indicate an increase of 10× in the corrosion resistance and a delay in the corrosion process kinetics compared to uncoated AZ31 magnesium alloy in 3.5 wt.% NaCl solution. • The ball cratering is a simple and effective technique of thickness measurement for chemical conversion coating. - Abstract: A Ce–V conversion coating was developed to improve the corrosion resistance of AZ31 magnesium alloy. Scanning electronic microscope (SEM), energy dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectrometer (XPS), grazing incidence X-ray diffraction (GIXRD) and the ball cratering test were adopted to study the morphology, chemical composition, structure and thickness of the coating. The coating has duplex structure with network and its thickness is about 2 μm. The coating contains high contents of Ce and V, which exhibits amorphous structure. Potentiodynamic polarization shows the coating can increase the corrosion potential and reduce the corrosion current density of AZ31 magnesium alloy. Moreover, the electrochemical impedance spectra exhibit the coating significantly improves the corrosion resistance of AZ31 magnesium alloy. Results indicate that the Ce–V conversion coating can provide effective protection to AZ31 magnesium alloy.

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.

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.)

Self-healing Li-Al layered double hydroxide conversion coating modified with aspartic acid for 6N01 Al alloy

International Nuclear Information System (INIS)

Zhang, Caixia; Luo, Xiaohu; Pan, Xinyu; Liao, Liying; Wu, Xiaosong; Liu, Yali

2017-01-01

Highlights: • A self-healing chrome-free Li-Al layered double hydroxide conversion coating modified with Aspartic acid was prepared. • One-step conversion coating formed by simple immersion in a conversion solution for a short time and a low temperature. • The conversion coating had excellent corrosion resistance. • The possible mechanism via exchange/self-assembly of the conversion coating was proposed in this paper. - Abstract: A self-healing Li-Al layered double hydroxide conversion coating (LCC) modified with aspartic acid (ALCC) was prepared on 6N01 Al alloy for corrosion protection. Scanning electron microscopy (SEM) showed that a compact thin film has been successfully formed on the alloy. X-ray diffraction (XRD) and FT-IR spectra proved that species of aspartic acid anions were successfully intercalated into LCC. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and neutral salt spray (NSS) testing showed that the resultant ALCC could provide effective corrosion protection for the Al alloy. During immersion of the ALCC-coated alloy in 3.5% NaCl solution, new film was formed in the area of artificially introduced scratch, indicating its self-healing capability. XPS results demonstrated that Cl- anions exchange partial Asp anions according to the change content of element on conversion coating. From the above results, the possible mechanism via exchange/self-assembly was proposed to illustrate the phenomenon of self-healing.

Self-healing Li-Al layered double hydroxide conversion coating modified with aspartic acid for 6N01 Al alloy

Energy Technology Data Exchange (ETDEWEB)

Zhang, Caixia; Luo, Xiaohu; Pan, Xinyu; Liao, Liying; Wu, Xiaosong; Liu, Yali, E-mail: yaliliu@hnu.edu.cn

2017-02-01

Highlights: • A self-healing chrome-free Li-Al layered double hydroxide conversion coating modified with Aspartic acid was prepared. • One-step conversion coating formed by simple immersion in a conversion solution for a short time and a low temperature. • The conversion coating had excellent corrosion resistance. • The possible mechanism via exchange/self-assembly of the conversion coating was proposed in this paper. - Abstract: A self-healing Li-Al layered double hydroxide conversion coating (LCC) modified with aspartic acid (ALCC) was prepared on 6N01 Al alloy for corrosion protection. Scanning electron microscopy (SEM) showed that a compact thin film has been successfully formed on the alloy. X-ray diffraction (XRD) and FT-IR spectra proved that species of aspartic acid anions were successfully intercalated into LCC. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and neutral salt spray (NSS) testing showed that the resultant ALCC could provide effective corrosion protection for the Al alloy. During immersion of the ALCC-coated alloy in 3.5% NaCl solution, new film was formed in the area of artificially introduced scratch, indicating its self-healing capability. XPS results demonstrated that Cl- anions exchange partial Asp anions according to the change content of element on conversion coating. From the above results, the possible mechanism via exchange/self-assembly was proposed to illustrate the phenomenon of self-healing.

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.

NaI(Tl) electron energy resolution

CERN Document Server

Mengesha, W

2002-01-01

NaI(Tl) electron energy resolution eta sub e was measured using the Modified Compton Coincidence Technique (MCCT). The MCCT allowed detection of nearly monoenergetic internal electrons resulting from the scattering of incident 662 keV gamma rays within a primary NaI(Tl) detector. Scattered gamma rays were detected using a secondary HPGe detector in a coincidence mode. Measurements were carried out for electron energies ranging from 16 to 438 keV, by varying the scattering angle. Measured HPGe coincidence spectra were deconvolved to determine the scattered energy spectra from the NaI(Tl) detector. Subsequently, the NaI(Tl) electron energy spectra were determined by subtracting the energy of scattered spectra from the incident source energy (662 keV). Using chi-squared minimization, iterative deconvolution of the internal electron energy spectra from the measured NaI(Tl) spectra was then used to determine eta sub e at the electron energy of interest. eta sub e values determined using this technique represent va...

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

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.

Measurement of the activity of electron capturing isotopes

International Nuclear Information System (INIS)

Szoerenyi, A.

1980-01-01

In order to measure precisely the activity of electron capturing isotopes, an equipment was constructed for the detection the X-photons, the Auger- and the conversing electrons by a high-pressure, gas-flow 4π proportional counter. The proportional counter and the NaI(Tl) scintillation counter are placed in a common lead-shielding, thus, the equipment is suited for the measurement of radioisotopes decaying in coincidence. The structure of the proportional counter and of the pressure-control system are detailed. As an example, the energy spectra of a 109 Cd solution, taken at different pressures, are published. At a pressure of 1.1 MPa the 3 peaks are well separated. The results of an international test, in which the radioactivity of a 57 Co sample was determined, are published, too. (L.E.)

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

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.

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.

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.

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.)

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.

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

Raman spectra of SDW superconductors

Energy Technology Data Exchange (ETDEWEB)

Rout, G.C. [Condensed Matter Physics Group, Department of Physics, Government Science College, Chatrapur, Orissa 761 020 (India)]. E-mail: gcr@iopb.res.in; Bishoyi, K.C. [P.G. Department of Physics, F.M. College (Autonomous), Balasore, Orissa 756 001 (India); Behera, S.N. [Institute of Physics, Bhubaneswar 751 005 (India)

2005-03-15

We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations.

Raman spectra of SDW superconductors

International Nuclear Information System (INIS)

Rout, G.C.; Bishoyi, K.C.; Behera, S.N.

2005-01-01

We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations

Absorption and emission from mode conversion theory

International Nuclear Information System (INIS)

Swanson, D.G.

1995-02-01

The effects of mode conversion theory on emission have led to some surprising results. The classical expressions were originally derived from models which did not include mode conversion or its attendant reflection. When mode conversion was included, the first surprise was that the transmission coefficient is totally independent of absorption and due exclusively to tunneling. The other surprise is that the observed emission arises from two distinct sources, one direct, and one from an indirect Bernstein wave source which is partially converted in the cyclotron layer to outgoing electromagnetic waves, with the net result that mode conversion cancels out for the electron case. The only corrections to electron cyclotron emission are then due to reflection effects, and these have been shown to be small for laboratory plasmas, leading to the validation of the classical formula, but via an entirely new paradigm in its interpretation. This paper includes a summary of the absorption process for electron cyclotron harmonics, and reviews the emission physics, including both potential error estimates and a discussion of the spatial emission source distribution

Observations of discrete energy loss effects in spectra of positrons reflected from solid surfaces

International Nuclear Information System (INIS)

Dale, J.M.; Hulett, L.D.; Pendyala, S.

1980-01-01

Surfaces of tungsten and silicon have been bombarded with monoenergetic beams of positrons and electrons. Spectra of reflected particles show energy loss tails with discrete peaks at kinetic energies about 15 eV lower than that of the elastic peaks. In the higher energy loss range for tungsten, positron spectra show fine structure that is not apparent in the electron spectra. This suggests that the positrons are losing energy through mechanisms different from that of the electrons

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

Effects of pyruvate dose on in vivo metabolism and quantification of hyperpolarized 13C spectra

DEFF Research Database (Denmark)

Janich, M. A.; Menzel, M. I.; Wiesinger, F.

2012-01-01

Real‐time in vivo measurements of metabolites are performed by signal enhancement of [1‐13C]pyruvate using dynamic nuclear polarization, rapid dissolution and intravenous injection, acquisition of free induction decay signals and subsequent quantification of spectra. The commonly injected dose...... uptake and metabolic conversion. The goal of this study was to examine the effects of a [1‐13C]pyruvate bolus on metabolic conversion in vivo. Spectra were quantified by three different methods: frequency‐domain fitting with LCModel, time‐domain fitting with AMARES and simple linear least‐squares fitting...... in the time domain. Since the simple linear least‐squares approach showed bleeding artifacts and LCModel produced noisier time signals. AMARES performed best in the quantification of in vivo hyperpolarized pyruvate spectra. We examined pyruvate doses of 0.1–0.4 mmol/kg (body mass) in male Wistar rats...

He-like spectra from laboratory plasmas and solar flares

International Nuclear Information System (INIS)

Kato, Takako

1990-01-01

The X-ray spectra of He-like ions from tokamaks and solar flares have been measured. Several physical parameters of plasma can be derived from the X-ray spectra of He-like ions. The ion temperature can be derived from the doppler width of a resonance line. The electron temperature is obtained from the intensity ratio of dielectronic satellite lines to a resonance line. The energy level for the prominent lines is shown. The line q is produced mainly by the inner-shell excitation of Li-like ions, and line beta is produced by the inner-shell excitation of Be-like ions. The intensity ratios give the ion density ratios. The intensities of the intercombination and the forbidden lines are affected by the recombination from H-like ions. The synthetic spectra including excitation, ionization and recombination processes are fitted to the measurement. In this paper, the He-like X-ray spectra of the titanium ions from TFTR tokamak plasma and of the iron ions from solar flares are discussed, paying attention to the presence of high energy electrons which affect the spectra and ionization balance. Atomic data, the spectra from the TFTR tokamak, the spectra from solar flares and so on are described. (K.I.)

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.

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)

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

Many-body effects on the x-ray spectra of metals

International Nuclear Information System (INIS)

Satpathy, S.S.

1982-01-01

The effects of band structure, of a solid surface, of temperature, and of disorder on the many-electron x-ray spectra of metals are evaluated in a change-of-mean-field approximation using a one-dimensional nearest-neighbor tight-binding model of a metal. The x-ray spectral shapes are determined by both the band structure and the final-state interactions. The effect of the band being non-free-electron-like is not felt at the x-ray threshold, but away from it such effects are noticeable. When the core hole is created at the surface, the spectra at the edge exhibit a Nozieres-de Dominicis-type singularity with the appropriate surface phase-shifts. At energies away from the edge, the one-particle effects are prominent with the x-ray emission and absorption spectra closely reflecting the local one-electron density of states. The recoil spectrum of a Fermi sea at a non-zero temperature has less asymmetry than the zero-temperature case. It was found that at ordinary temperatures the reduction of the asymmetry due to the thermal distribution of one-electron states is not very significant. Finally, using a one-dimensional Anderson model, the effect of lattice disorder on the x-ray absorption spectra is studied for the first time. There are two effects: (1) the strong infrared divergence peak is gradually quenched as disorder is increased, and (2) the threshold is broadened because the threshold energies for absorption at different sites in the crystal depend on the varying local lattice environment. It is proposed that the x-ray spectra may be useful as a tool for studying the degree of electron localization in disordered many-electron systems

Comparative analysis of quasi-linear spectra of organic boron compounds and their heterocyclic and aromatic analogs

International Nuclear Information System (INIS)

Klimova, L.A.; Volkova, V.P.; Kugemova, M.E.; Mikhajlov, B.M.

1976-01-01

Quasiline absorption and luminescence spectra of polycyclic compounds containing boron, nitrogen, or oxygen atoms have been obtained and studied for the first time. Electron-vibrating spectra of these compounds have been compared with the corresponding spectra of nitrogen- and oxygen-containing heterocycles as well as with spectra of their aromatic analog - phenanthrene. Vibrational analysis of the spectra of all the compounds reveals, within the accuracy limit of measurements, the relative closeness of the vibrational frequencies. However, the great difference between the positions of electron transitions points to a change in π-electron structure of the molecules when heteroatoms are introduced. High sensitivity of the frequency of electron transition to structural changes makes it possible to determine the degree of influence of separate heteroatoms

Equivalent half-value thickness and mean energies of filtered X-ray bremsstrahlung spectra

International Nuclear Information System (INIS)

Seelentag, W.W.; Panzer, W.

1980-01-01

X-ray beam qualities are often conveniently described by half-value thicknesses (in connection with tube voltage and filtration). Aluminium and copper are commonly used as half-value thickness materials, and either material may be used in a large intermediate energy range. Data comparisons frequently require conversions from values in Al to values in Cu. Equivalent half-value thicknesses for polychromatic radiations depend on the shapes of the spectra, but spectrometry is too expensive for routine application. Half-value thicknesses in both Al and Cu have been determined for some 250 spectra (tube potentials 10 to 300 kV). The results are tabulated, and these results together with a nomogram enable conversion with an accuracy of better than +- 5% in most cases. (UK)

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.

Cochlear implants: 100 pediatric case conversions from the body worn to the nucleus esprit 22 ear level speech processor.

Science.gov (United States)

Dodd, M C; Nikolopoulos, T P; Totten, C; Cope, Y; O'Donoghue, G M

2005-07-01

To assess performance of Nucleus 22 mini system pediatric users converted from the Spectra 22 body-worn to the ESPrit 22 ear-level speech processor using aided thresholds and speech discrimination measures before and after the conversion. Spectra 22 body-worn speech processor users were chosen using preselection criteria (stable map, ability to report on the quality of the signal, no device problems). The subjects underwent tuning, map conversion, fitting of the ESPrit 22, and aided soundfield threshold and speech discrimination testing. The first 100 consecutive conversions are analyzed in this study. Fifty children (50%) were female, and 50 (50%) were male. The average age at implantation was 4.6 years (median 4.3 years, range 1.7 to 11 years). The average age of fitting the ear level speech processor was 11.1 years (median 11 years, range 6.2 to 18.2 years). Tertiary referral pediatric cochlear implant center in the United Kingdom. Of the 100 fittings attempted, all Spectra 22 maps could to be converted for use in the ESPrit 22. Of these 100 fittings, 44 were straightforward with no adjustment to map parameters being required, and 56 needed rate reductions and other map adjustments to achieve the conversion. The difference of the mean thresholds before and after the conversion did not exceed 2 dB across the frequencies studied (0.5-4 kHz). In 95% of the cases, the differences were less than 9 dB(A). With regard to speech discrimination testing, the mean threshold before the conversion was 53.4 dB and after the conversion 52.7 dB. Of the 100 conversions, only five children stopped using the ESPrit 22 despite fitting being achieved. Conversion from the Spectra 22 body worn to the ESPrit 22 ear level speech processor was found to be feasible in all the 100 cases studied. Only a minority (5%) of children chose not to use the ear level speech processor suggesting that children and parents were satisfied from the conversion.

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

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

High PEC conversion efficiencies from CuSe film electrodes modified with metalloporphyrin/polyethylene matrices

International Nuclear Information System (INIS)

Zyoud, Ahed; Al-Kerm, Rola S.; Al-Kerm, Rana S.; Waseem, Mansur; Mohammed, H.S. Helal; Park, DaeHoon; Campet, Guy; Sabli, Nordin; Hilal, Hikmat S.

2015-01-01

Enhancement of hole-transfer across CuSe electrode/liquid junction can be facilitated by coating with metalloporphyrin complexes embedded inside polyethylene matrices. - Highlights: • CuSe films were electrochemically deposited onto FTO/Glass • Annealing CuSe film electrodes enhanced PEC characteristics • PEC characteristics were further enhanced by metalloporphyrin/polyethylene matrices, yielding ∼15% efficiency • Matrix behavior as charge transfer mediator enhanced electrode conversion efficiency and stability - Abstract: Electrodeposited CuSe film electrodes have been prepared onto FTO/glass by a facile method based on earlier methods described for other systems. The films were characterized, modified by annealing and further characterized. The films were then modified by coating with tetra(-4-pyridyl) pophyrinato-manganese (MnTPyP) complexes embedded inside commercial polyethylene (PE) matrices. The effects of modifications on different film properties, such as X-ray diffraction (XRD) patterns, surface morphology, photoluminescence (PL) spectra and electronic absorption spectra were investigated. Compared with other thin film electrode systems, very high photoelectrochemical (PEC) conversion efficiency values have been observed here. Pre-annealing the CuSe films at 150°C for 2 h, followed by attaching the MnTPyP/PE matrices remarkably enhanced their PEC characteristics. The conversion efficiency was significantly enhanced, from less than 1.0% to more than 15%. Fill factor (FF) was also enhanced from ∼30% to ∼80%. Values of open-circuit potential (V OC ) and short-circuit current (J SC ) were significantly enhanced. While annealing affects uniformity, particle inter-connection and surface texture of the CuSe films, the MnTPyP complex species behaves as an additional charge-transfer mediator across the film/electrolyte junction. Optimization of PEC characteristics, using different deposition times, different annealing temperatures, different

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

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.

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

Energy Technology Data Exchange (ETDEWEB)

Pasanai, K., E-mail: krisakronmsu@gmail.com

2017-01-15

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed. - Highlights: • The conductance spectra of a FM/FM/FM junction were calculated. • The conductance spectra were suppressed by the exchange energy. • The exchange energy and the potential strength play similar roles in the junctions.

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

International Nuclear Information System (INIS)

Pasanai, K.

2017-01-01

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed. - Highlights: • The conductance spectra of a FM/FM/FM junction were calculated. • The conductance spectra were suppressed by the exchange energy. • The exchange energy and the potential strength play similar roles in the junctions.

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

[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.

Photon and photoneutron spectra produced in radiotherapy Linacs

International Nuclear Information System (INIS)

Vega C, H. R.; Martinez O, S. A.; Benites R, J. L.; Lallena, A. M.

2011-10-01

A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 -6 and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

Photon and photoneutron spectra produced in radiotherapy Linacs

Energy Technology Data Exchange (ETDEWEB)

Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Calle Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Martinez O, S. A. [Universidad Pedagogica y Tecnologica de Colombia, Grupo de Fisica Nuclear Aplicada y Simulacion, Av. Central del Norte Km. 1, Via Paipa Tunja, Boyaca (Colombia); Benites R, J. L. [Universidad Autonoma de Nayarit, Postgrado CBAP, Carretera Tepic Compostela Km. 9, Xalisco, Nayarit (Mexico); Lallena, A. M., E-mail: fermineutron@yahoo.com [Universida de Granada, Departamento de Fisica Atomica, Molecular y Nuclear, E-18071 Granada (Spain)

2011-10-15

A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10{sup -6} and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

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.

Monitoring coal conversion processes by IR-spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Hobert, H.; Kempe, J.; Stephanowitz, H. (Friedrich-Schiller-Universitaet, Jena (German Democratic Republic))

1990-01-01

Explains application of infrared spectroscopy combined with multivariate data analysis by an on-line computer system for assessing coal quality and suitability of brown coal for conversion processes. Coal samples were pelletized under addition of KBr and analyzed using an IRF 180 Fourier transform spectrometer in the spectral range of 400 to 2,000 cm{sup -1}. Components of spectra are presented; the oil yield from coal hydrogenation is calculated by regression analysis. Covariance spectra of carbon, organic hydrogen and sulfur are shown. It is concluded that the field of application for the method includes industrial coal liquefaction, gasification as well as briquetting and coking. 8 refs.

The gamma-ray spectra of 5-carbon alkane isomers in the positron annihilation process

International Nuclear Information System (INIS)

Ma, Xiaoguang; Zhu, Yinghao; Liu, Yang

2016-01-01

The gamma-ray spectra of pentane (C_5H_1_2) and its two isomers, i.e., 2-Methylbutane (CH_3C(CH_3)HC_2H_5) and 2,2-Dimethylpropane (C(CH_3)_4) have been studied theoretically in the present work. The recent experimental gamma-ray spectra of these three molecules show that they have the same Doppler shifts, although their molecular structures are dramatically different. In order to reveal why the gamma-ray spectra of these molecules are less sensitive to the molecular structures, the one-dimensional gamma-ray spectra and spherically averaged momentum (SAM) distributions, the two-dimensional angular correlation of annihilation radiation (ACAR), and the three-dimensional momentum distributions of the positron–electron pair are studied. The one-centered momentum distributions of the electrons are found to play more important role than the multi-centered coordinate distributions. The present theoretical predictions have confirmed the experimental findings for the first time. The dominance of the inner valence electrons in the positron–electron annihilation process has also been suggested in the present work. - Highlights: • The structure effects only play a minor role in the one-dimension gamma-ray spectra. • The present study further confirms the dominance of the inner valence electrons in the positron–electron annihilation process. • The momentum distributions of the electrons play more important role than the coordinate distributions.

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.

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.

Studies on the induction of mitotic gene conversion by ultraviolet irradiation

International Nuclear Information System (INIS)

Ito, T.; Kobayashi, K.

1975-01-01

Action spectra for the induction of intragenic mitotic recombination (gene conversion) at the trp 5 locus by UV are presented for three cell stages (T 0 , T 9 and T 16 ) taken from synchronously growing cultures of Saccharomyces cerevisiae. The spectra over the range from 230 to 300 nm were taken mostly in 5-nm steps. The peak in the action spectra was significantly shifted, regardless of the stage, towards the longer wavelengths as compared with that of the absorption spectrum of DNA (258nm) or even that of thymine (265nm). In one extreme case ( 16 ), the peak was shifted 17nm from the absorption peak of DNA. Further, the spectrum changed its shape as the cell stage advanced from the non-dividing (unbudded) (T 0 ) to a dividing phase (T 16 ). Furthermore, the induction cross section decreased by a large factor (about 40), regardless of the wavelength, in going from the non-dividing to a dividing phase. From observations of the high photoreversibility of induced conversions, the major primary damage was thought to be pyrimidine dimers in the DNA

EPR spectra of some irradiated polycrystalline perrhenate

International Nuclear Information System (INIS)

Zaitseva, N.G.; Constantinescu, M.; Georgescu, R.; Constantinescu, O.

1978-10-01

An EPR study of the paramagnetic centers formed by γ, electron and neutron irradiation of the NaReO 4 and KReO 4 was made. In the EPR spectra of the powder samples irradiated γ, with electrons and neutrons, the presence of three types of paramagnetic centers was observed. From the EPR parameters, the centers were attributed to the ReOsub(4)sup(.), ReOsub(3)sup(.) and ReOsub(2)sup(.) radicals respectively. The lower intensity of the spectra observed by KReO 4 samples irradiation showed a higher radioresistance of the KReO 4 than that of NaReO 4 . A radiolitical scheme taking into account the paramagnetic centers formation was proposed. (author)

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.

The design study of an ultra-high power EB/X-ray conversion facility

Energy Technology Data Exchange (ETDEWEB)

He, Zi-Feng, E-mail: hezifeng@sinap.ac.cn; Li, Deming; Huang, Jian-Ming; Yang, Yong-Jin; Zhu, Xi-Kai; Zhang, Yu-Tian

2014-10-15

Highlights: • We describe a 100 kW electron beam to X-rays conversion system. • We give an idea to improve the conversion efficiency and lifetime of the target. • We describe the design and thermal characteristics of the X-ray converter. - Abstract: X-ray conversion is a frequent need for irradiating the products that cannot be processed by electron beams, duo to their limited penetration capacity in materials, in radiation sterilization of disposable healthcare products and food irradiation. In this paper, we report the design of a conversion facility with a 5-MeV/120-kW electron accelerator, regarding the considerations on selection of the target materials and target structure, design of the electron beam transport line and approaches to improve the conversion efficiency and lifetime.

Electron Acceleration by High Power Radio Waves in the Ionosphere

Science.gov (United States)

Bernhardt, Paul

2012-10-01

At the highest ERP of the High Altitude Auroral Research Program (HAARP) facility in Alaska, high frequency (HF) electromagnetic (EM) waves in the ionosphere produce artificial aurora and electron-ion plasma layers. Using HAARP, electrons are accelerated by high power electrostatic (ES) waves to energies >100 times the thermal temperature of the ambient plasma. These ES waves are driven by decay of the pump EM wave tuned to plasma resonances. The most efficient acceleration process occurs near the harmonics of the electron cyclotron frequency in earth's magnetic field. Mode conversion plays a role in transforming the ES waves into EM signals that are recorded with ground receivers. These diagnostic waves, called stimulated EM emissions (SEE), show unique resonant signatures of the strongest electron acceleration. This SEE also provides clues about the ES waves responsible for electron acceleration. The electron gas is accelerated by high frequency modes including Langmuir (electron plasma), upper hybrid, and electron Bernstein waves. All of these waves have been identified in the scattered EM spectra as downshifted sidebands of the EM pump frequency. Parametric decay is responsible low frequency companion modes such as ion acoustic, lower hybrid, and ion Bernstein waves. The temporal evolution of the scattered EM spectrum indicates development of field aligned irregularities that aid the mode conversion process. The onset of certain spectral features is strongly correlated with glow plasma discharge structures that are both visible with the unaided eye and detectable using radio backscatter techniques at HF and UHF frequencies. The primary goals are to understand natural plasma layers, to study basic plasma physics in a unique ``laboratory with walls,'' and to create artificial plasma structures that can aid radio communications.

Precision electron-gamma spectroscopic studies in 111Cd

International Nuclear Information System (INIS)

Sai Vignesh, T.; Chhetri, Premaditya; Vijay Sai, K.; Gowrishankar, R.; Venkataramaniah, K.; Deepa, S.; Rao, Dwarakarani; Kailas, S.

2011-01-01

The energy levels of 111 Cd has formerly been considered in terms of the states available to the 63rd neutron which is in the 3s 1/2 sub-shell. Kisslinger and Sorensen have used the pairing plus-quadrupole model to predict the energy levels. In the Coulomb excitation experiment only five levels have been excited. The decay of 111 Ag has been investigated only by few workers, Burmistov and Didorenko, Shevlev et al and Goswamy et al. The previous data on level energies, gamma energies and intensities differ considerably even for intense gamma transitions. There has been no detailed study of the internal conversion spectrum. There have been no multipolarity assignments for some of the transitions. An extensive experimental investigation of the gamma and conversion electron spectra has been undertaken to provide precision spectroscopic information on the low lying levels of 111 Cd from the beta decay of 111 Ag

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.

Tips for deciphering and quick calculation of radiation spectra

Science.gov (United States)

Bondarenco, M. V.

2018-04-01

Radiation spectra from ultra-relativistic electrons in thin [Tll lf(ω)] and thick [Tgg lf(ω)] targets are discussed. The method of simplified averaging is described by examples of Landau-Pomeranchuk-Migdal effect and radiation at doughnut scattering. General infrared and ultraviolet asymptotic properties of radiation spectra are discussed.

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

Particle Discrimination Experiment for Direct Energy Conversion

International Nuclear Information System (INIS)

Yasaka, Y.; Kiriyama, Y.; Yamamoto, S.; Takeno, H.; Ishikawa, M.

2005-01-01

A direct energy conversion system designed for D- 3 He fusion reactor based on a field reversed configuration employs a venetian-blind type converter for thermal ions to produce DC power and a traveling wave type converter for fusion protons to produce RF power. It is therefore necessary to separate, discriminate, and guide the particle species. For this purpose, a cusp magnetic field is proposed, in which the electrons are deflected and guided along the field line to the line cusp, while the ions pass through the point cusp. A small-scale experimental device was used to study the basic characteristics of discrimination of electrons and ions in the cusp magnetic field. Ions separated from electrons are guided to an ion collector, which is operated as a one-stage direct energy converter. The conversion efficiency was measured for cases with different values of mean and spread of ion energy. These experiments successfully demonstrate direct energy conversion from plasma beams using particle discrimination by a cusp magnetic field

Resonant photoionization absorption spectra of spherical quantum dots

CERN Document Server

Bondarenko, V

2003-01-01

We study theoretically the mid-infrared photon absorption spectra due to bound-free transitions of electrons in individual spherical quantum dots. It is established that change of the dot size in one or two atomic layers or/and number of electrons by one or two can change the peak value of the absorption spectra in orders of magnitude and energy of absorbed photons by tens of millielectronvolts. The reason for this is the formation of specific free states, called resonance states. Numerical calculations are performed for quantum dots (QDs) with radius varying up to 200 A, and one to eight electrons occupying the two lowest bound states. It is supposed that realistic QD systems with resonance states would be of much advantage to design novel infrared QD photo-detectors.

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

Science.gov (United States)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

Configuration interaction in charge exchange spectra of tin and xenon

Science.gov (United States)

D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

2011-06-01

Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

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.

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

Recent Progress of the Synchrotron Radiation Calculation Code SPECTRA

International Nuclear Information System (INIS)

Tanaka, T.; Kitamura, H.

2007-01-01

SPECTRA is a computer software to calculate optical properties of synchrotron radiation (SR) emitted by electrons passing through magnetic devices such as bending magnets, wigglers and undulators. It has been used to design various devices in the SR beamline, such as high heat-load components in the front-end section and optical elements in the optics hutch. In addition, the electron beam quality can be estimated by comparison between the measured and calculated properties of SR. Since the first announcement, numerous improvements have been made to SPECTRA to achieve less computation time with higher numerical accuracy. In addition, a number of functions have been added to follow the user's demand. In this paper, recent progress of SPECTRA is presented and details of the new functions are explained together with several examples

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

Isotope effects on the optical spectra of semiconductors

Science.gov (United States)

Cardona, Manuel; Thewalt, M. L. W.

2005-10-01

Since the end of the cold war, macroscopic amounts of separated stable isotopes of most elements have been available “off the shelf” at affordable prices. Using these materials, single crystals of many semiconductors have been grown and the dependence of their physical properties on isotopic composition has been investigated. The most conspicuous effects observed have to do with the dependence of phonon frequencies and linewidths on isotopic composition. These affect the electronic properties of solids through the mechanism of electron-phonon interaction, in particular, in the corresponding optical excitation spectra and energy gaps. This review contains a brief introduction to the history, availability, and characterization of stable isotopes, including their many applications in science and technology. It is followed by a concise discussion of the effects of isotopic composition on the vibrational spectra, including the influence of average isotopic masses and isotopic disorder on the phonons. The final sections deal with the effects of electron-phonon interaction on energy gaps, the concomitant effects on the luminescence spectra of free and bound excitons, with particular emphasis on silicon, and the effects of isotopic composition of the host material on the optical transitions between the bound states of hydrogenic impurities.

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)

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

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.

Influence of Er3+/Yb3+ concentration ratio on the down-conversion and up-conversion luminescence and lifetime in GdVO4:Er3+/Yb3+ microcrystals

Directory of Open Access Journals (Sweden)

Gavrilović T.V.

2015-01-01

Full Text Available In this paper, we studied the effects of Er3+/Yb3+ concentration ratio on structural, morphological and luminescence properties of GdVO4:Er3+/Yb3+ green phosphors prepared by a high-temperature solid state method. The samples with different concentrations (between 0.5 to 2 mol% of dopant Er3+ emitting ions and different concentrations (between 5 to 20 mol% of sensitizer ions (Yb3+ were studied. The phosphors were characterized by the X-ray diffraction (XRD, scanning electron microscopy (SEM and photoluminescence spectroscopy. For all samples, XRD diffraction patterns confirmed a formation of a pure GdVO4 phase, while the SEM showed that the materials are comprised of chunks of deformed particles with an average diameter ranging from approximately 2 μm to 8 μm. Both, down-conversion and up-conversion emission spectra of GdVO4:Er3+/Yb3+ samples, under near UV and IR excitations, exhibit two strong emission bands in the green spectral region at 525 nm and 552 nm wavelengths corresponding to 2H11/2 →4I15/2 and 4S3/2 → 4I15/2 electronic transitions of Er3+ ions. The intensity of the green emission was changed by changing the Er3+/Yb3+ concentration ratio. This dual-mode luminescence makes these materials ideal as green phosphors for a wide variety of applications in the fields of bioanalysis and biomedical. [Projekat Ministarstva nauke Republike Srbije, br. 45020 i br. 172056

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

Compton spectra of atoms at high x-ray intensity

Science.gov (United States)

Son, Sang-Kil; Geffert, Otfried; Santra, Robin

2017-03-01

Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton scattering from atoms dominantly comes from bound electrons in neutral atoms, neglecting contributions from bound electrons in ions and free (ionized) electrons. In contrast, in the high x-ray intensity regime, the sample experiences severe ionization via x-ray multiphoton multiple ionization dynamics. Thus, it becomes necessary to take into account all the contributions to the Compton scattering signal when atoms are exposed to high-intensity x-ray pulses provided by x-ray free-electron lasers (XFELs). In this paper, we investigate the Compton spectra of atoms at high x-ray intensity, using an extension of the integrated x-ray atomic physics toolkit, xatom. As the x-ray fluence increases, there is a significant contribution from ionized electrons to the Compton spectra, which gives rise to strong deviations from the Compton spectra of neutral atoms. The present study provides not only understanding of the fundamental XFEL-matter interaction but also crucial information for single-particle imaging experiments, where Compton scattering is no longer negligible. , which features invited work from the best early-career researchers working within the scope of J. Phys. B. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Sang-Kil Son was selected by the Editorial Board of J. Phys. B as an Emerging Leader.

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

Derivation of pulse height to exposure rate conversion functions for aerial radiological surveys

International Nuclear Information System (INIS)

Artuso, J.F.

1985-01-01

A method is described for deriving conversion functions that can be used to convert pulse height spectra taken at altitude to the exposure rate at the 1-m level. An integral equation is set up which involves the integration of a calculated pulse height spectrum multiplied by an unknown conversion function and then set equal to the exposure rate at ground level. This equation is then solved for the conversion function by assuming as a solution a three-term polynomial. Conversion functions have been derived for various source distributions, including surface, uniform, and exponentially distributed sources. These conversion functions are independent of source energy, which means that a conversion can be made without any knowledge of the isotopic content of the source. In the case of a uniform distribution, these conversion functions provide conversions that agree to within 10% with ground truth measurements

Raman spectra of filled carbon nanotubes

International Nuclear Information System (INIS)

Bose, S.M.; Behera, S.N.; Sarangi, S.N.; Entel, P.

2004-01-01

The Raman spectra of a metallic carbon nanotube filled with atoms or molecules have been investigated theoretically. It is found that there will be a three way splitting of the main Raman lines due to the interaction of the nanotube phonon with the collective excitations (plasmons) of the conduction electrons of the nanotube as well as its coupling with the phonon of the filling material. The positions and relative strengths of these Raman peaks depend on the strength of the electron-phonon interaction, phonon frequency of the filling atom and the strength of interaction of the nanotube phonon and the phonon of the filling atoms. Careful experimental studies of the Raman spectra of filled nanotubes should show these three peaks. It is also shown that in a semiconducting nanotube the Raman line will split into two and should be observed experimentally

Evaluation of high-energy brachytherapy source electronic disequilibrium and dose from emitted electrons.

Science.gov (United States)

Ballester, Facundo; Granero, Domingo; Pérez-Calatayud, José; Melhus, Christopher S; Rivard, Mark J

2009-09-01

The region of electronic disequilibrium near photon-emitting brachytherapy sources of high-energy radionuclides (60Co, 137CS, 192Ir, and 169Yb) and contributions to total dose from emitted electrons were studied using the GEANT4 and PENELOPE Monte Carlo codes. Hypothetical sources with active and capsule materials mimicking those of actual sources but with spherical shape were examined. Dose contributions due to source photons, x rays, and bremsstrahlung; source beta-, Auger electrons, and internal conversion electrons; and water collisional kerma were scored. To determine if conclusions obtained for electronic equilibrium conditions and electron dose contribution to total dose for the representative spherical sources could be applied to actual sources, the 192Ir mHDR-v2 source model (Nucletron B.V., Veenendaal, The Netherlands) was simulated for comparison to spherical source results and to published data. Electronic equilibrium within 1% is reached for 60Co, 137CS, 192Ir, and 169Yb at distances greater than 7, 3.5, 2, and 1 mm from the source center, respectively, in agreement with other published studies. At 1 mm from the source center, the electron contributions to total dose are 1.9% and 9.4% for 60Co and 192Ir, respectively. Electron emissions become important (i.e., > 0.5%) within 3.3 mm of 60Co and 1.7 mm of 192Ir sources, yet are negligible over all distances for 137Cs and 169Yb. Electronic equilibrium conditions along the transversal source axis for the mHDR-v2 source are comparable to those of the spherical sources while electron dose to total dose contribution are quite different. Electronic equilibrium conditions obtained for spherical sources could be generalized to actual sources while electron contribution to total dose depends strongly on source dimensions, material composition, and electron spectra.

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.

Proposals of electronic-vibrational energy relaxation studies by using laser pulses synchronized with IR-SR pulses

International Nuclear Information System (INIS)

Nakagawa, Hideyuki

2000-01-01

Synchrotron radiation is expected to be the sharp infrared light source for the advanced experiments on IR and FIR spectroscopy in wide research fields. Especially, synchronized use of SR with VIS and/or UV laser light is to be a promising technique for the research on the dynamical properties of the photo-excited states in condensed materials. Some proposals are attempted for high resolution IR spectroscopy to elucidate fine interaction of molecular ions in crystalline solids with their environmental field and for time-resolved IR spectroscopic studies on the electronic and vibrational energy relaxation by using laser pulses synchronized with IR-SR pulses. Several experimental results are presented in relevance to the subjects; on high-resolution FTIR spectra of cyanide ions and metal cyanide complexes in cadmium halide crystals, on the energy up-conversion process among the vibrational levels of cyanide ions in alkali halide crystals, and on the electronic-to-vibrational energy conversion process in metal cyanide complexes. (author)

Angular distribution of scattered electron and medium energy electron spectroscopy for metals

International Nuclear Information System (INIS)

Oguri, Takeo; Ishioka, Hisamichi; Fukuda, Hisashi; Irako, Mitsuhiro

1986-01-01

The angular distribution (AD) of scattered electrons produced by medium energy incident electrons (E P = 50 ∼ 300 eV) from polycrystalline Ti, Fe, Ni, Cu and Au were obtained by the angle-resolved medium energy electron spectrometer. The AD of the energy loss peaks are similar figures to AD of the elastically reflected electron peaks. Therefore, the exchanged electrons produced by the knock-on collision between the incident electrons and those of metals without momentum transfer are observed as the energy loss spectra (ELS). This interpretation differs from the inconsequent interpretation by the dielectric theory or the interband transition. The information depth and penetration length are obtained from AD of the Auger electron peaks. The contribution of the surface to spectra is 3 % at the maximum for E P = 50 eV. The true secondary peaks representing the secondary electron emission spectroscopy (SES) are caused by the emissions of the energetic electrons (kT e ≥ 4 eV), and SES is the inversion of ELS. The established fundamental view is that the medium energy electron spectra represent the total bulk density of states. (author)

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.

Infrared spectroscopy: a tool for determination of the degree of conversion in dental composites

Directory of Open Access Journals (Sweden)

Luciene Gonçalves Palmeira Moraes

2008-04-01

Full Text Available Infrared spectroscopy is one of the most widely used techniques for measurement of conversion degree in dental composites. However, to obtain good quality spectra and quantitative analysis from spectral data, appropriate expertise and knowledge of the technique are mandatory. This paper presents important details to use infrared spectroscopy for determination of the conversion degree.

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

Science.gov (United States)

Pasanai, K.

2017-01-01

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed.

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

ANA - a program for evaluation of gamma spectra from environmental samples

International Nuclear Information System (INIS)

Mishev, P.

1993-01-01

The program aims at for evaluation of gamma spectra, collected in different multichannel analyzers. It provides file format conversion from most popular file spectra formats. The program includes: spectra visualization; energy and shape calibration; efficiency calibration; automatic peak search; resolving of multiplets and peak calculations, based on program KATOK; isotope library; isotope identification and activity calculations. Three types of efficiency calibrations are possible: spline approximation; two branches logarithmic approximation; and polynomial approximation based on orthonormal polynomials. The suggestions of the International Atomic Energy Agency were taken into account in development of the algorithms. The program allows batch spectra processing appropriate for routine tasks and user controlled evaluations. Calculations of lower detection limits of some user defined isotopes are also possible. The program calculates precisely the statistical uncertainties of the final results. The error sources taken into account are: standard source activity errors, efficiency approximation errors and current measurement errors. (author)

Structure and spectra of a confined HeH molecule

International Nuclear Information System (INIS)

Lo, J M H; Klobukowski, M; Bielinska-Wacz, D; Schreiner, E W S; Diercksen, G H F

2006-01-01

The influence of spatial confinement on the structure and spectra of the Rydberg HeH molecule is analysed at the level of the variational full configuration interaction approach. The confining potential is assumed to have cylindrical symmetry, with the symmetry axis of the potential overlapping with the molecular bond. In the direction perpendicular to the axis quadratic dependence of the potential on the electron coordinates is assumed. The influence of the confining potential on the form of the potential energy curves (in particular on the bond lengths), on the electronic spectra and on the ionization due to the confinement is studied in detail

The Rovibronic Spectra of the Cyclopentadienyl Radical

Science.gov (United States)

Sharma, Ketan; Miller, Terry A.; Stanton, John F.; Nesbitt, David

2017-06-01

Cyclopentadienyl (Cp) radical has been subject to numerous studies for the greater part of half a century. Experimental work has involved photo-electron spectroscopy, laser induced fluorescence excitation and emission, infrared absorption spectroscopy, and recently rotationally resolved spectra in the CH stretch region taken at JILA. Even more theoretical works appear in the literature, but substantial advances in computation have occurred since their completion. Cp's highly symmetric (D_{5h}) structure and doubly degenerate electronic ground (˜{X}^2E_1^{''}), which is subject to linear Jahn-Teller distortion, have been a great motivation for work on it. We have commenced new computational work to obtain a broad understanding of the electronic, vibrational, and rotational, i.e. rovibronic, structure of the Cp radical as revealed by its spectra, with particular emphasis on the new infrared spectra. The goal is to guide experiments and their analyses and reconcile results from spectroscopy and quantum chemistry calculations. T. Ichino, et al. J. Chem. Phys. 129, 084310 (2008) L. Yu, S. C. Foster, J. M. Williamson, M. C. Heaven and T. A. Miller J. Phys. Chem. 92, 4263 (1988) B. E. Applegate, A. J. Bezant and T. A. Miller J. Chem. Phys 114, 4869 (2001) D. Leicht, M. Kaufmann, G. Schwaab, and M. Havenith J. Chem. Phys. 145, 7 (2016), 074304.

Measurement of secondary cosmic radiation and calculation of associated dose conversion coefficients for humans; Messung sekundaerer kosmischer Strahlung und Berechnung der zugehoerigen Dosiskonversionskoeffizienten fuer den Menschen

Energy Technology Data Exchange (ETDEWEB)

Simmer, Gregor

2012-04-11

Due to secondary cosmic radiation (SCR), pilots and flight attendants receive elevated effective doses at flight altitudes. For this reason, since 2003 aircrew members are considered as occupationally exposed, in Germany. This work deals with the calculation of dose conversion coefficients (DCC) for protons, neutrons, electrons, positrons, photons and myons, which are crucial for estimation of effective dose from SCR. For the first time, calculations were performed combining Geant4 - a Monte Carlo code developed at CERN - with the voxel phantoms for the reference female and male published in 2008 by ICRP and ICRU. Furthermore, measurements of neutron fluence spectra - which contribute the major part to the effective dose of SCR - were carried out at the Environmental Research Station Schneefernerhaus (UFS) located at 2650 m above sea level nearby the Zugspitze mountain, Germany. These measured neutron spectra, and additionally available calculated spectra, were then folded with the DCC calculated in this work, and effective dose rates for different heights were calculated.

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

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.

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.

Study of electron transmission through thin metallic films by the electron moessbauer spectroscopy

International Nuclear Information System (INIS)

Babikova, Yu.F.; Vakar, O.M.; Gruzin, O.M.; Petrikin, Yu.V.

1983-01-01

Results of the experimental study of the transmission of conversion electrons through aluminium, iron, tin and gold films are presented. Absorption of resonance electrons of the Moessbauer nuclide 57 Fe, formed during target irradiation with γ-quanta of 57 Co source in chromium matrix has been studied. It is asserted that absorption of conversion electrons in films of different elements is similar; at that, like in the case of β-particles, the law of absorption of resonance electrons, emitted from the flat layer, is exponential For conversion electrons of the Moessbauer nuclide 57 Fe the absorption coefficient is (0.025+-0.002) cm 2 /μg, which in the case of iron absorbing film corresponds to (20.0+-1.0)x10 4 cm -1

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

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.

Electrochemically grafted polypyrrole changes photoluminescence of electronic states inside nanocrystalline diamond

Energy Technology Data Exchange (ETDEWEB)

Galář, P., E-mail: pavel.galar@mff.cuni.cz; Malý, P. [Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 3, Prague 121 16 (Czech Republic); Čermák, J.; Kromka, A.; Rezek, B. [Institute of Physics ASCR v.v.i., Cukrovarnická 10, Prague 160 00 (Czech Republic)

2014-12-14

Hybrid diamond-organic interfaces are considered attractive for diverse applications ranging from electronics and energy conversion to medicine. Here we use time-resolved and time-integrated photoluminescence spectroscopy in visible spectral range (380–700 nm) to study electronic processes in H-terminated nanocrystalline diamond films (NCD) with 150 nm thin, electrochemically deposited polypyrrole (PPy) layer. We observe changes in dynamics of NCD photoluminescence as well as in its time-integrated spectra after polymer deposition. The effect is reversible. We propose a model where the PPy layer on the NCD surface promotes spatial separation of photo-generated charge carriers both in non-diamond carbon phase and in bulk diamond. By comparing different NCD thicknesses we show that the effect goes as much as 200 nm deep inside the NCD film.

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.

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.

Self-healing Li-Al layered double hydroxide conversion coating modified with aspartic acid for 6N01 Al alloy

Science.gov (United States)

Zhang, Caixia; Luo, Xiaohu; Pan, Xinyu; Liao, Liying; Wu, Xiaosong; Liu, Yali

2017-02-01

A self-healing Li-Al layered double hydroxide conversion coating (LCC) modified with aspartic acid (ALCC) was prepared on 6N01 Al alloy for corrosion protection. Scanning electron microscopy (SEM) showed that a compact thin film has been successfully formed on the alloy. X-ray diffraction (XRD) and FT-IR spectra proved that species of aspartic acid anions were successfully intercalated into LCC. Potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and neutral salt spray (NSS) testing showed that the resultant ALCC could provide effective corrosion protection for the Al alloy. During immersion of the ALCC-coated alloy in 3.5% NaCl solution, new film was formed in the area of artificially introduced scratch, indicating its self-healing capability. XPS results demonstrated that Cl- anions exchange partial Asp anions according to the change content of element on conversion coating. From the above results, the possible mechanism via exchange/self-assembly was proposed to illustrate the phenomenon of self-healing.

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.

Primordial spectra from sudden turning trajectory

Science.gov (United States)

Noumi, Toshifumi; Yamaguchi, Masahide

2013-12-01

Effects of heavy fields on primordial spectra of curvature perturbations are discussed in inflationary models with a sudden turning trajectory. When heavy fields are excited after the sudden turn and oscillate around the bottom of the potential, the following two effects are generically induced: deformation of the inflationary background spacetime and conversion interactions between adiabatic and isocurvature perturbations, both of which can affect the primordial density perturbations. In this paper, we calculate primordial spectra in inflationary models with sudden turning potentials taking into account both of the two effects appropriately. We find that there are some non-trivial correlations between the two effects in the power spectrum and, as a consequence, the primordial scalar power spectrum has a peak around the scale exiting the horizon at the turn. Though both effects can induce parametric resonance amplifications, they are shown to be canceled out for the case with the canonical kinetic terms. The peak feature and the scale dependence of bispectra are also discussed.

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.

Dissecting Reactor Antineutrino Flux Calculations

Science.gov (United States)

Sonzogni, A. A.; McCutchan, E. A.; Hayes, A. C.

2017-09-01

Current predictions for the antineutrino yield and spectra from a nuclear reactor rely on the experimental electron spectra from 235U, 239Pu, 241Pu and a numerical method to convert these aggregate electron spectra into their corresponding antineutrino ones. In the present work we investigate quantitatively some of the basic assumptions and approximations used in the conversion method, studying first the compatibility between two recent approaches for calculating electron and antineutrino spectra. We then explore different possibilities for the disagreement between the measured Daya Bay and the Huber-Mueller antineutrino spectra, including the 238U contribution as well as the effective charge and the allowed shape assumption used in the conversion method. We observe that including a shape correction of about +6 % MeV-1 in conversion calculations can better describe the Daya Bay spectrum. Because of a lack of experimental data, this correction cannot be ruled out, concluding that in order to confirm the existence of the reactor neutrino anomaly, or even quantify it, precisely measured electron spectra for about 50 relevant fission products are needed. With the advent of new rare ion facilities, the measurement of shape factors for these nuclides, for many of which precise beta intensity data from TAGS experiments already exist, would be highly desirable.

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.

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

Application of vibrational correlation formalism to internal conversion rate: Case study of Cun (n = 3, 6, and 9) and H2/Cu3

International Nuclear Information System (INIS)

Chiodo, Sandro Giuseppe; Mineva, Tzonka

2015-01-01

This work reports non-radiative internal conversion (IC) rate constants obtained for Cu n with n = 3, 6, and 9 and H 2 on Cu 3 . The Time-Dependent Density Functional Theory (TDDFT) method was employed with three different functionals in order to investigate the electronic structures and the absorption spectra. The performance of the generalized gradient approximation of Perdew, Burke and Ernzerhof (PBE) and the hybrid B3LYP and PBE0 exchange correlation functionals in combination with the SVP and the def2-TZVP basis sets was examined. TDDFT results were used as input data to compute internal conversion rate constants. For this purpose, we have developed a program package. A description of the theoretical background used in our numerical implementation and the program input file is presented. In view of future applications of this program package in photoinduced catalysis, we present the analysis of the IC rate processes for the photodissociation of H 2 on Cu 3 . These results showed the applicability of the method and the computational program to identify the vibrational modes in transition metal clusters giving rise to the largest IC rate constant due to their interactions with the excited electronic states occurring in the hot-electron induced dissociation phenomena

Delin and Delog codes for graphic representation of gamma ray spectra

International Nuclear Information System (INIS)

Travesi, A.; Romero, L.

1983-01-01

Two FORTRAN IV Codes have been developed for graphic representation of the gamma-ray spectra obtained with GeLi detectors and multichannel analyzers. The graphic plotting is carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can be done in a lineal, semilog, or log-log scale, as desired. The gamma ray spectra data are fed into the computer through magnetic tape or perforated paper tape. The different output options and complementary data are given in a conversational way through a terminal with TV display. Among the options that can be selected by the user are the following: 1) smoothing the spectra; 2) drawing the spectra point by point or continuous; 3) output drawing in 1, 2 or 4 sheets with automatic division of the energy scale; 4) overlapping of selected spectra regions in γ-scale ampliation with automatic printout of the region limits and ampliation factor; 5) printing spectra data and identifications of selected photopeaks. The codes can be employed with any computer using printing devices, HP-GRAPHICS 1000 software compatible, but are easily modified for another printing software since their modular structure with FORTRAN IV written subroutines. (author)

DELIN and DELOG codes for graphic representation of gamma ray spectra

International Nuclear Information System (INIS)

Romero, L.; Travesi, A.

1983-01-01

Two Fortran IV Codes has been developed for graphic representation of the gamma-ray spectra obtained with Ge Li detectors and multichannel analyzers. The grafic plotting es carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can ba done in a lineal, semi log, or log-log scale, as desired. The gamma ray spectra data are feed into the computer through magnetic tape or perfored paper tape. The different out-put options and complementary data are given in a conversational way through a terminal with T.V. displays. Among the options that can be selected by the user are the following: - smoothing the spectra - drawing the spectra point by point or continuous - out-put drawing an 1, 2, or 4 sheet with automatic division of the energy scale. - overlapping of selected spectra regions in Y scale ampliation with automatic print-out of the region limits and ampliation factor. - Printing spectra data and identifications of selected photo peaks. The codes can be employed with any computer using printing devices, HP-Graphics 1000 software compatible, but are easily modified for another printing software since their modular structure with Fortran IV written

Spectra of fluorinated rare earth β-diketonates with added ligands

International Nuclear Information System (INIS)

Khomenko, V.S.; Lozinskij, M.O.; Fialkov, Yu.A.; Rasshinina, T.A.; Krasovskaya, L.I.; AN Ukrainskoj SSR, Kiev. Inst. Organicheskoj Khimii)

1984-01-01

Different-ligand rare earth complexes are synthesized. Fluorated β-diketones, triethylphosphine oxide and trifluoracetic acid are used as active ligands. Mass-spectra of low and high resolution are taken at the energy of ionizing electrons of 70 eV, as well as luminescence spectra of complexes. Fragmentation ways of complexes decomposition under electron shock are studied. A series of changing the bound strength of additional ligands with europium in mixed complexes is determined. It is shown that the introduction of additional ligands can purposefully change physical and chemical properties of complexes

Spectra of fluorinated rare earth. beta. -diketonates with added ligands

Energy Technology Data Exchange (ETDEWEB)

Khomenko, V.S.; Lozinskij, M.O.; Fialkov, Yu.A.; Rasshinina, T.A.; Krasovskaya, L.I. (AN Belorusskoj SSR, Minsk. Inst. Fiziki; AN Ukrainskoj SSR, Kiev. Inst. Organicheskoj Khimii)

1984-01-01

Different-ligand rare earth complexes are synthesized. Fluorated ..beta..-diketones, triethylphosphine oxide and trifluoracetic acid are used as active ligands. Mass-spectra of low and high resolution are taken at the energy of ionizing electrons of 70 eV, as well as luminescence spectra of complexes. Fragmentation ways of complexes decomposition under electron shock are studied. A series of changing the bound strength of additional ligands with europium in mixed complexes is determined. It is shown that the introduction of additional ligands can purposefully change physical and chemical properties of complexes.

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

Revealing low-energy part of the beta spectra

International Nuclear Information System (INIS)

Selvi, S.; Celiktas, C.

2002-01-01

An effective method is proposed to separate electronic noise from the beta-particle spectra revealing lower energy part of the spectra. The available methods for reducing the noise problem cut the noise along with the low-energy part of the beta spectra by using a discriminator. Our setup eliminates this undesirable effect by shifting the noise toward the lowest energy scale leaving the low-energy part of spectra undisturbed. We achieved this noise-pulse-separation by treating the noise as a pulse so that we can exploit the application of the pulse-shape analyzer equipment used for pulse shape identification of particles and rejection of defective pulses. To the best of our knowledge this method of the noise separation is a novel approach

Measurements of weak conversion lines

International Nuclear Information System (INIS)

Feoktistov, A.I.; Frantsev, Yu.E.

1979-01-01

Described is a new methods for measuring weak conversion lines with the help of the β spectrometer of the π √ 2 type which permits to increase the reliability of the results obtained. According to this method the measurements were carried out by short series with the storage of the information obtained on the punched tape. The spectrometer magnetic field was stabilized during the measuring of the conversion spectra with the help of three nmr recorders. Instead of the dependence of the pulse calculation rate on the magnetic field value was measured the dependence of the calculation rate on the value of the voltage applied between the source and the spectrometer chamber. A short description of the automatic set-up for measuring conversion lines according to the method proposed is given. The main set-up elements are the voltage multiplexer timer, printer, scaler and the pulse analyzer. With the help of the above methods obtained is the K 1035, 8 keV 182 Ta line. It is obtained as a result of the composition of 96 measurement series. Each measurement time constitutes 640 s 12 points are taken on the line

Uranium spectra in the ICP

Energy Technology Data Exchange (ETDEWEB)

Ghazi, A.A.; Qamar, S.; Atta, M.A. (Khan (A.Q.) Research Labs., Rawalpindi (Pakistan))

1994-05-01

Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author).

Uranium spectra in the ICP

International Nuclear Information System (INIS)

Ghazi, A.A.; Qamar, S.; Atta, M.A.

1994-01-01

Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author)

Power conversion technologies

Energy Technology Data Exchange (ETDEWEB)

Newton, M. A.

1997-02-01

The Power Conversion Technologies thrust area identifies and sponsors development activities that enhance the capabilities of engineering at Lawrence Livermore National Laboratory (LLNL) in the area of solid- state power electronics. Our primary objective is to be a resource to existing and emerging LLNL programs that require advanced solid-state power electronic technologies.. Our focus is on developing and integrating technologies that will significantly impact the capability, size, cost, and reliability of future power electronic systems. During FY-96, we concentrated our research efforts on the areas of (1) Micropower Impulse Radar (MIR); (2) novel solid-state opening switches; (3) advanced modulator technology for accelerators; (4) compact accelerators; and (5) compact pulse generators.

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.

Moessbauer spectra of some complex compounds of Fe(II) with pyridine

International Nuclear Information System (INIS)

Teodorescu, M.; Filoti, G.

1975-01-01

The Moessbauer spectra of [Fe(II)py 6 ]Br 2 at 298 and 80 K and the reflectance spectra of the same compound at room temperature are presented. Isomer shift and quadrupole splitting were determined for [Fe(II)py 6 ]Br 2 at 298 and 80 K, their values being correlated with those obtained from electronic spectra measured in the solid state. (Z.S.)

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.

Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

Science.gov (United States)

Mukhopadhyay, D.; Soos, Z. G.

1996-01-01

Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

Statistical thermodynamics foundation for photovoltaic and photothermal conversion. II. Application to photovoltaic conversion

Science.gov (United States)

Badescu, Viorel; Landsberg, Peter T.

1995-08-01

The general theory developed in part I was applied to build up two models of photovoltaic conversion. To this end two different systems were analyzed. The first system consists of the whole absorber (converter), for which the balance equations for energy and entropy are written and then used to derive an upper bound for solar energy conversion. The second system covers a part of the absorber (converter), namely the valence and conduction electronic bands. The balance of energy is used in this case to derive, under additional assumptions, another upper limit for the conversion efficiency. This second system deals with the real location where the power is generated. Both models take into consideration the radiation polarization and reflection, and the effects of concentration. The second model yields a more accurate upper bound for the conversion efficiency. A generalized solar cell equation is derived. It is proved that other previous theories are particular cases of the present more general formalism.

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

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

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.

Linear mode conversion in a toroidal plasma

International Nuclear Information System (INIS)

Hellsten, T.

1980-05-01

Linear mode conversion at the perpendicular ion cyclotron resonance has been treated for an axially symmetric toroidal plasma. The mode conversion appears between a fast electromagnetic wave and a slow-quasi electrostatic wave, due to finite electron inertia. The problem reduces to the Orr-Sommerfeld equation where the coefficients determining the reflectron, transmission and conversion are functions of the arc length along a poloidal intersection of the resonance surface. These coefficients can be determined from eigenfunctions of an ordinary differential equation. (author)

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

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)

Virtual photon spectra for finite nuclei

International Nuclear Information System (INIS)

Wolynec, E.; Martins, M.N.

1988-01-01

The experimental results of an isochromat of the virtual photon spectrum, obtained by measuring the number of ground-state protons emitted by the 16.28 MeV isobaric analogue state in 90 Zr as a function of electron incident energy in the range 17-105 MeV, are compared with the values predicted by a calculation of the E1 DWBA virtual photon spectra for finite nuclei. It is found that the calculations are in excellent agreement with the experimental results. The DWBA virtual photon spectra for finite nuclei for E2 and M1 multipoles are also assessed. (author) [pt

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.

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.

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.

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

Enhancement of Perovskite Solar Cells Efficiency using N-Doped TiO2 Nanorod Arrays as Electron Transfer Layer.

Science.gov (United States)

Zhang, Zhen-Long; Li, Jun-Feng; Wang, Xiao-Li; Qin, Jian-Qiang; Shi, Wen-Jia; Liu, Yue-Feng; Gao, Hui-Ping; Mao, Yan-Li

2017-12-01

In this paper, N-doped TiO 2 (N-TiO 2 ) nanorod arrays were synthesized with hydrothermal method, and perovskite solar cells were fabricated using them as electron transfer layer. The solar cell performance was optimized by changing the N doping contents. The power conversion efficiency of solar cells based on N-TiO 2 with the N doping content of 1% (N/Ti, atomic ratio) has been achieved 11.1%, which was 14.7% higher than that of solar cells based on un-doped TiO 2 . To get an insight into the improvement, some investigations were performed. The structure was examined with X-ray powder diffraction (XRD), and morphology was examined by scanning electron microscopy (SEM). Energy dispersive spectrometer (EDS) and Tauc plot spectra indicated the incorporation of N in TiO 2 nanorods. Absorption spectra showed higher absorption of visible light for N-TiO 2 than un-doped TiO 2 . The N doping reduced the energy band gap from 3.03 to 2.74 eV. The photoluminescence (PL) and time-resolved photoluminescence (TRPL) spectra displayed the faster electron transfer from perovskite layer to N-TiO 2 than to un-doped TiO 2 . Electrochemical impedance spectroscopy (EIS) showed the smaller resistance of device based on N-TiO 2 than that on un-doped TiO 2 .

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....

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}.

Resonant Inverse Compton Scattering Spectra from Highly Magnetized Neutron Stars

Science.gov (United States)

Wadiasingh, Zorawar; Baring, Matthew G.; Gonthier, Peter L.; Harding, Alice K.

2018-02-01

Hard, nonthermal, persistent pulsed X-ray emission extending between 10 and ∼150 keV has been observed in nearly 10 magnetars. For inner-magnetospheric models of such emission, resonant inverse Compton scattering of soft thermal photons by ultrarelativistic charges is the most efficient production mechanism. We present angle-dependent upscattering spectra and pulsed intensity maps for uncooled, relativistic electrons injected in inner regions of magnetar magnetospheres, calculated using collisional integrals over field loops. Our computations employ a new formulation of the QED Compton scattering cross section in strong magnetic fields that is physically correct for treating important spin-dependent effects in the cyclotron resonance, thereby producing correct photon spectra. The spectral cutoff energies are sensitive to the choices of observer viewing geometry, electron Lorentz factor, and scattering kinematics. We find that electrons with energies ≲15 MeV will emit most of their radiation below 250 keV, consistent with inferred turnovers for magnetar hard X-ray tails. More energetic electrons still emit mostly below 1 MeV, except for viewing perspectives sampling field-line tangents. Pulse profiles may be singly or doubly peaked dependent on viewing geometry, emission locale, and observed energy band. Magnetic pair production and photon splitting will attenuate spectra to hard X-ray energies, suppressing signals in the Fermi-LAT band. The resonant Compton spectra are strongly polarized, suggesting that hard X-ray polarimetry instruments such as X-Calibur, or a future Compton telescope, can prove central to constraining model geometry and physics.

Resonant Ni and Fe KLL Auger spectra photoexcited from NiFe alloys

International Nuclear Information System (INIS)

Koever, L.; Cserny, I.; Berenyi, Z.; Egri, S.; Novak, M.

2005-01-01

Complete text of publication follows. KLL Auger spectra of 3d transition metal atoms in solid environment, measured using high energy resolution, give an insight into the details of the local electronic structure surrounding the particular atoms emitting the signal Auger electrons. Fine tuning the energy of the exciting monochromatic photons across the K-absorption edge, features characteristic to resonant phenomena can be identified in the spectra. The shapes of the resonantly photoexcited KLL Auger spectra induced from 3d transition metals and alloys are well interpreted by the single step model of the Auger process, based on the resonant scattering theory. The peak shapes are strongly influenced by the 4p partial density of unoccupied electronic states around the excited atom. High energy resolution studies of KLL Auger spectra of 3d transition metals using laboratory X-ray sources, however, request very demanding experiments and yield spectra of limited statistical quality making the evaluation of the fine details in the spectra difficult. The Tunable High Energy XPS (THE- XPS) instrument at BW2 offers optimum photon x and energy resolution for spectroscopy of deep core Auger transitions. For the present measurements high purity polycrystalline Ni and Fe sheets as well as NiFe alloy samples of different compositions (Ni 80 Fe 20 , Ni 50 Fe 50 , Ni 20 Fe 80 ) were used. The surfaces of the samples were cleaned by in-situ argon ion sputtering. The measurements of the Ni and Fe KL 23 L 23 Auger spectra of the metal and alloy samples were performed with the THE-XPS instrument using high electron energy resolution (0.2 eV). In Fig.1, the measured Fe KL 23 L 23 spectrum, photoexcited at the Fe K absorption edge from Fe metal, is compared with the respective spectrum excited from a Ni 50 Fe 50 alloy. A significant broadening of the 1 D 2 peak and an enhancement of the spectral intensity at the low energy loss part of this peak observed in the alloy sample, while the

Stationary spectra in a quasi neutral current-carrying plasma

International Nuclear Information System (INIS)

Vakulenko, M.O.

1992-01-01

The low-frequency short-wave equilibrium spectra of electromagnetic fluctuations are obtained, accounting for cross-field correlations. The statistical analysis shows that a longitudinal current in a dense quasi neutral (α e ≡4πnomec 2 /Bo 2 >>1) plasma destroys the stationary of fluctuation spectra corresponding to zero fluxes of motion invariants, and may alter also the anomalous electron heat conductivity. 2 refs. (author)

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

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

Nonlinear FMR spectra in yttrium iron garnet

Directory of Open Access Journals (Sweden)

Yu.M. Bunkov, P.M. Vetoshko, I.G. Motygullin, T.R. Safin, M.S. Tagirov, N.A. Tukmakova

2015-12-01

Full Text Available Results of demagnetizing effect studies in yttrium iron garnet Y3Fe5O12 thin films are reported. Experiments were performed on X-Band of electron paramagnetic resonance spectrometer at room temperature. The ferromagnetic resonance (FMR spectra were obtained for one-layer single crystal YIG films for different values of the applied microwave power. Nonlinear FMR spectra transformation by the microwave power increasing in various directions of magnetic field sweep was observed. It is explained by the influence of the demagnetization action of nonequilibrium magnons.

The effect of surface pre-conditioning treatments on the local composition of Zr-based conversion coatings formed on aluminium alloys

Science.gov (United States)

Cerezo, J.; Vandendael, I.; Posner, R.; de Wit, J. H. W.; Mol, J. M. C.; Terryn, H.

2016-03-01

This study investigates the effect of different alkaline, acidic and thermal pre-conditioning treatments applied to different Al alloy surfaces. The obtained results are compared to the characteristics of Zr-based conversion coatings that were subsequently generated on top of these substrates. Focus is laid on typical elemental distributions on the sample surfaces, in particular on the amount of precipitated functional additives such as Cu species that are present in the substrate matrix as well as in the conversion bath solutions. To this aim, Field Emission Auger Electron spectra, depth profiles and surface maps with superior local resolution were acquired and compared to scanning electron microscopy images of the sample. The results show how de-alloying processes, which occur at and around intermetallic particles in the Al matrix during typical industrial alkaline or acidic cleaning procedures, provide a significant source of crystallization cores for any following coating processes. This is in particular due for Cu-species, as the resulting local Cu structures on the surface strongly affect the film formation and compositions of state-of-the-art Zr-based films. The findings are highly relevant for industrial treatments of aluminium surfaces, especially for those that undergo corrosion protection and painting process steps prior to usage.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

International Nuclear Information System (INIS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-01-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at 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. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations 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.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Science.gov (United States)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at 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. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations 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.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Energy Technology Data Exchange (ETDEWEB)

Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)

2016-12-20

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at 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. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations 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.

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.

Raman scattering spectra of superconducting Bi2Sr2CaCu2O8 single crystals

International Nuclear Information System (INIS)

Kirillov, D.; Bozovic, I.; Geballe, T.H.; Kapitulnik, A.; Mitzi, D.B.

1988-01-01

Raman spectra of Bi 2 Sr 2 CaCu 2 O 8 single crystals with superconducting phase-transition temperature of 90 K have been studied. The spectra contained phonon lines and electronic continuum. Phonon energies and polarization selection rules were measured. A gap in the electronic continuum spectrum was observed in a superconducting state. Noticeable similarity between Raman spectra of Bi 2 Sr 2 CaCu 2 O 8 and YBa 2 Cu 3 O 7 was found

Raman scattering spectra of superconducting Bi2Sr2CaCu2O8 single crystals

Science.gov (United States)

Kirillov, D.; Bozovic, I.; Geballe, T. H.; Kapitulnik, A.; Mitzi, D. B.

1988-12-01

Raman spectra of Bi2Sr2CaCu2O8 single crystals with superconducting phase-transition temperature of 90 K have been studied. The spectra contained phonon lines and electronic continuum. Phonon energies and polarization selection rules were measured. A gap in the electronic continuum spectrum was observed in a superconducting state. Noticeable similarity between Raman spectra of Bi2Sr2CaCu2O8 and YBa2Cu3O7 was found.