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Sample records for absorption fine-structure exafs

  1. EXAFS (Extended X-Ray Absorption Fine Structure): theory and applications

    International Nuclear Information System (INIS)

    Lagarde, P.; Raoux, D.

    1984-01-01

    EXAFS (Extended X-Ray Absorption Fine Structure) is introduced in a general way and the qualities of such a techique are shown. Some examples of applications of EXAFS in several branches of science are presented. (L.C.) [pt

  2. Extended x-ray absorption fine structure (EXAFS): a novel probe for local structure of glassy solids

    International Nuclear Information System (INIS)

    Wong, J.

    1979-01-01

    The extended x-ray absorption fine structure (EXAFS) is the oscillation in the absorption coefficient extending a few hundred eVs on the high energy side of an x-ray absorption edge. This mode of spectroscopy has recently been realized to be a powerful tool in probing the local atomic structure of all states of matter, particularly with the advent of intense synchrotron radiation. More importantly is the unique ability of EXAFS to probe the structure and dynamics around individual atomic species in a multi-atomic system. In this paper, the physical processes associated with the EXAFS phenomenon will be discussed. Experimental results obtained at the Stanford Synchrotron Radiation Laboratory on some oxide and metallic glasses will be presented. The local structure in these materials are elucidated using a Fourier transform technique

  3. X-ray photoemission spectroscopy (XPS) and extended x-ray absorption fine structure (EXAFS) studies of silicate based glasses

    International Nuclear Information System (INIS)

    Karim, D.; Lam, D.J.

    1979-01-01

    The application of the x-ray photoemission spectroscopy (XPS) technique to study the electronic structure and bonding of heavy metal oxides in alkali- and alkali-earth-silicate glasses had been demonstrated. The bonding characteristics of the iron oxide and uranium oxide in sodium silicate glasses were deduced from the changes in the oxygen 1s levels and the heavy metal core levels. It is reasonable to expect that the effect of leaching on the heavy metal ions can be monitored using the appropriate core levels of these ions. To study the effect of leaching on the glass forming network, the valence band structure of the bridging and nonbridging oxygens in sodium silicate glasses were investigated. The measurement of extended x-ray absorption fine-structure (EXAFS) is a relatively new analytical technique for obtaining short range (<5 A) structural information around atoms of a selected species in both solid and fluid systems. Experiments have recently begun to establish the feasibility of using EXAFS to study the bonding of actinides in silicate glasses. Because of the ability of EXAFS to yield specific structural data even in complex multicomponent systems, it could prove to be an invaluable tool in understanding glass structure

  4. X-ray absorption spectroscopy: EXAFS [Extended X-ray Absorption Fine Structure] and XANES [X-ray Absorption Near Edge Structure

    International Nuclear Information System (INIS)

    Alp, E.E.; Mini, S.M.; Ramanathan, M.

    1990-04-01

    The x-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. It has also played an important role in the discovery and systematization of rare-earth elements. The discovery of synchrotron radiation in 1952, and later the availability of broadly tunable synchrotron based x-ray sources have revitalized this technique since the 1970's. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge by Sayers et. al. has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-ray Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. An excellent description of the principles and data analysis techniques of EXAFS is given by Teo. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, we will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and samples limitations

  5. Study of the chemical environment of cerium in low silica calcium aluminosilicate glasses by extended X-ray absorption fine structure (EXAFS)

    Energy Technology Data Exchange (ETDEWEB)

    Novo, L.C.; Peixoto, S.M.B.; Santos, D.R.; Sampaio, J.A. [Universidade Estadual do Norte Fluminense Darcy Ribeiro (UENF), Campos dos Goytacazes, RJ (Brazil). Lab. de Ciencias Fisicas

    2011-07-01

    Full text. Currently, great attention has been given to rare earth doped optical glasses. These elements by having the 4f shell partially filled exhibit a wealth of sharp fluorescent transitions representing almost every region of the visible and near-infrared portions of the electromagnetic spectrum, being of interest in photonics, when embedded in the glass matrix. In addition cerium oxide possess high hardness and stability to high temperatures, and it has been used in industry in different ways such as catalysts, fuel and solar cells, ultraviolet radiation filters, oxygen sensors and in the polishing of materials. In this context, cerium doped low silica calcium aluminosilicate (LSCA) glasses are considered good candidates for solid state laser active medium due to their good mechanical, optical and thermal properties. Recently it was shown that LSCA glasses doped with cerium oxide is a source of emitting white light, which is of technological applications interest. However it is known that increasing the dopant concentration in the glass matrix, an interaction of rare earth ions takes place leading to a closer proximity between the rare earth ions, and thus a reduction in their quantum efficiency. In this work, the local structure of Cerium in LSCA glasses was characterized by Extended X-Ray Absorption Fine Structure Spectroscopy (EXAFS). The EXAFS and XANES measurements were performed in the Ce L{sub III}-edge at the XAS beam line of LNLS facility (Campinas, Brazil) at room temperature. Structural parameters, coordination numbers (N), interatomic distance (R) and degree of disorder ({sigma}{sup 2}) were obtained from least squares fitting

  6. Total electron yield measurements of extended x-ray absorption fine structures (EXAFS) of Ni and Fe thin foils, and adsorption of Ni on polycrystalline Fe substrates

    International Nuclear Information System (INIS)

    Sham, T.K.; Carr, R.G.

    1985-01-01

    X-ray absorption spectra of Fe and Ni K edges have been obtained at room temperature by means of a total electron yield technique for a clean Fe foil on which Ni was subsequently deposited, and a Ni foil. This technique involves the measurement of the specimen current. The total yield is found to be approx.1 x 10 -2 electron per photon absorbed at the Fe K edge for a 1/4 mil foil. Dramatic increase in surface sensitivity is gained over transmission EXAFS by using this technique to study Ni overlayers on Fe surface. The EXAFS of the deposited Ni overlayers (several monolayer coverage) are compared with those of the pure elements and of Ni/Fe alloys in the α(bcc) and γ(fcc) phases. The results indicate that the average Ni--Ni bond in the deposited Ni overlayers does not contract relative to that in the bulk in contrast to previously observed contraction of Ni deposition on carbon substrates. The feasibility of this technique and its application are discussed

  7. X-ray absorption spectroscopy (EXAFS)

    International Nuclear Information System (INIS)

    Craievich, A.F.

    1983-01-01

    The experimental technics of Extended X-ray Absorption Fine Structure (EXAFS) is presented and several uses of it in atomic, molecular and bio physics are shown. The recent progresses of this technics, both theoretical and experimental, are discussed and the future perspectives on this subject are commented. (L.C.) [pt

  8. Cation distribution in NiZn-ferrite films via extended x-ray absorption fine structure

    Science.gov (United States)

    Harris, V. G.; Koon, N. C.; Williams, C. M.; Zhang, Q.; Abe, M.; Kirkland, J. P.

    1996-04-01

    We have applied extended x-ray absorption fine structure (EXAFS) spectroscopy to study the cation distribution in a series of spin-sprayed NiZn-ferrite films. A least-squares fitting of experimental EXAFS data with theoretical, multiple-scattering, EXAFS data allowed the quantitative determination of site distributions for all transition metal cations.

  9. Astrophysical extended X-ray absorption fine-structure analysis

    International Nuclear Information System (INIS)

    Woo, J.W.; Forrey, R.C.; Cho, K.; Department of Physics and Division of Applied Sciences, Harvard University)

    1997-01-01

    We present an astrophysical extended X-ray absorption fine-structure (EXAFS) analysis (AEA) tool. The AEA tool is designed to generate a numerical model of the modification to the X-ray absorption coefficient due to the EXAFS phenomenon. We have constructed a complete database (elements up to the atomic number 92) of EXAFS parameters: central atom phase shift (2δ 1 ), backscattering phase shift (φ b ), and backscattering amplitude (F). Using the EXAFS parameter data base, the AEA tool can generate a numerical model of any compound when the atomic numbers of neighboring atoms and their distances to the central X-ray-absorbing atom are given. copyright 1997 The American Astronomical Society

  10. Iron environment in ferritin with large amounts of phosphate, from Azotobacter vinelandii and horse spleen, analyzed using Extended X-ray Absorption fine Structure (EXAFS)

    International Nuclear Information System (INIS)

    Rohrer, J.S.; Islam, Q.T.; Sayes, D.E.; Theil, E.C.; Watt, G.D.

    1990-01-01

    The iron core of proteins in the ferritin family displays structural variations that includes phosphate content was well as the number and the degree of ordering of the iron atoms. Earlier studies had shown that ferritin iron cores naturally high in phosphate, e.g., Azotobacter vinelandii (AV) ferritin had decreased long-range order. Here, the influence of phosphate on the local structure around iron in ferritin cores is reported, comparing the EXAFS of AV ferritin, reconstituted ferritin and native horse spleen ferritin. In contrast, when the phosphate content was high in AV ferritin and horse spleen ferritin reconstituted with phosphate, the average iron atom had five to six phosphorus neighbors at 3.17 angstrom. Moreover, the number of detectable iron neighbors was lower when phosphate was high or present during reconstitution and the interatomic distance was longer indicating that some phosphate bridges neighboring iron atoms. However, the decrease in the number of detectable iron-iron neighbors compared to HSF and the higher number of Fe-P interactions relative to Fe-Fe interactions suggest that some phosphate ligands were chain termini, or blocked crystal growth, and/or introduced defects which contributed both to the long-range disorder and to altered redox properties previously observed in AV ferritin

  11. The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), Extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data.

    Science.gov (United States)

    Askerka, Mikhail; Brudvig, Gary W; Batista, Victor S

    2017-01-17

    Efficient photoelectrochemical water oxidation may open a way to produce energy from renewable solar power. In biology, generation of fuel due to water oxidation happens efficiently on an immense scale during the light reactions of photosynthesis. To oxidize water, photosynthetic organisms have evolved a highly conserved protein complex, Photosystem II. Within that complex, water oxidation happens at the CaMn 4 O 5 inorganic catalytic cluster, the so-called oxygen-evolving complex (OEC), which cycles through storage "S" states as it accumulates oxidizing equivalents and produces molecular oxygen. In recent years, there has been significant progress in understanding the OEC as it evolves through the catalytic cycle. Studies have combined conventional and femtosecond X-ray crystallography with extended X-ray absorption fine structure (EXAFS) and quantum mechanics/molecular mechanics (QM/MM) methods and have addressed changes in protonation states of μ-oxo bridges and the coordination of substrate water through the analysis of ammonia binding as a chemical analog of water. These advances are thought to be critical to understanding the catalytic cycle since protonation states regulate the relative stability of different redox states and the geometry of the OEC. Therefore, establishing the mechanism for substrate water binding and the nature of protonation/redox state transitions in the OEC is essential for understanding the catalytic cycle of O 2 evolution. The structure of the dark-stable S 1 state has been a target for X-ray crystallography for the past 15 years. However, traditional X-ray crystallography has been hampered by radiation-induced reduction of the OEC. Very recently, a revolutionary X-ray free electron laser (XFEL) technique was applied to PSII to reveal atomic positions at 1.95 Å without radiation damage, which brought us closer than ever to establishing the ultimate structure of the OEC in the S 1 state. However, the atom positions in this crystal

  12. Size-selective extended X-ray absorption fine structure spectroscopy of free selenium clusters

    International Nuclear Information System (INIS)

    Nagaya, K.; Yao, M.; Hayakawa, T.; Ohmasa, Y.; Kajihara, Y.; Ishii, M.; Katayama, Y.

    2002-01-01

    In a recent paper [M. Yao et al., J. Synchrotron Radiat. 8, 542 (2001)], we proposed a new method for the size-selective EXAFS (extended x-ray absorption fine structure) of neutral-free clusters, in which not only the x-ray absorption process but also the deexcitation processes are utilized as the structural information. In order to verify this method experimentally, we have developed the synchronous measurements of EXAFS and photoelectron photoion coincidence and carried them out for a Se cluster beam by utilizing the third-generation intense x-ray source. The EXAFS spectra for Se small clusters have been obtained and compared critically with theoretical predictions

  13. A new procedure for the quantitative analysis of extended x-ray absorption fine structure data in total reflection geometry.

    Science.gov (United States)

    Benzi, F; Davoli, I; Rovezzi, M; d'Acapito, F

    2008-10-01

    A novel code for the analysis of extended x-ray absorption fine structure (EXAFS) data collected in total reflection mode (reflEXAFS) is presented. The procedure calculates the theoretical fine structure signals appearing in the reflectivity spectrum starting from the ab initio EXAFS calculations. These signals are then used in complex structural refinement (i.e., also including multiple scattering paths) with usual fitting programs of EXAFS data. A test case consisting in the analysis of a gold film collected at different incidence angles is presented in detail.

  14. X-ray absorption fine structure (XAFS) studies of cobalt silicide thin films

    International Nuclear Information System (INIS)

    Naftel, S.J.; Coulthard, I.; Hu, Y.; Sham, T.K.; Zinke-Allmang, M.

    1998-01-01

    Cobalt silicide thin films, prepared on Si(100) wafers, have been studied by X-ray absorption near edge structures (XANES) at the Si K-, L 2,3 - and Co K-edges utilizing both total electron (TEY) and fluorescence yield (FLY) detection as well as extended X-ray absorption fine structure (EXAFS) at the Co K-edge. Samples made using DC sputter deposition on clean Si surfaces and MBE were studied along with a bulk CoSi 2 sample. XANES and EXAFS provide information about the electronic structure and morphology of the films. It was found that the films studied have essentially the same structure as bulk CoSi 2 . Both the spectroscopy and materials characterization aspects of XAFS (X-ray absorption fine structures) are discussed

  15. Extended x-ray absorption fine structure of NaBr and Ge at high pressure

    Science.gov (United States)

    Ingalls, R.; Crozier, E. D.; Whitmore, J. E.; Seary, A. J.; Tranquada, J. M.

    1980-06-01

    The x-ray absorption spectra of Ge and of Br in NaBr have been measured to pressures of 52 and 21 kbars, respectively, in a boron carbide and diamond anvil cell in which pressure was measured via the ruby-fluorescence technique. Although Bragg peaks from the diamond anvil reduced the accuracy, atomic spacings in both materials could be determined by extended x-ray absorption fine-structure (EXAFS) analysis. Changes in the nearest-neighbor separations in NaBr, and Ge to at least 40 kbars, agreed with literature values, indicating that the EXAFS phase shifts are quite insensitive to such pressures. In addition the near-edge peak positions in the NaBr spectra appeared to readily shift with pressure, which suggests that NaBr may be quite suitable as a pressure standard in future work of this type.

  16. Extended x-ray absorption fine structure: Studies of zinc-neutralized sulfonated polystyrene ionomers

    International Nuclear Information System (INIS)

    Ding, Y.S.; Yarusso, D.J.; Pan, H.K.D.; Cooper, S.L.

    1984-01-01

    Extended x-ray absorption fine structure (EXAFS) measurements were performed on a series of zinc-neutralized sulfonated polystyrene ionomers and the local structure around the zinc atom was determined. An interference effect in the EXAFS signal between sulfur and oxygen atoms was found to be significant in these materials. A model for the local structure in the zinc-neutralized sulfonated polystyrene ionomers is proposed which suggests a highly ordered tetrahedral coordination of oxygen around the zinc atoms at a distance of 1.97 +- 0.02 A. In addition there are four sulfur atoms and four oxygen atoms at a distance of 3.15 +- 0.05 A. No zinc-zinc coordination within 5 A was detected in this study

  17. Complementary information on CdSe/ZnSe quantum dot local structure from extended X-ray absorption fine structure and diffraction anomalous fine structure measurements

    International Nuclear Information System (INIS)

    Piskorska-Hommel, E.; Holý, V.; Caha, O.; Wolska, A.; Gust, A.; Kruse, C.; Kröncke, H.; Falta, J.; Hommel, D.

    2012-01-01

    The extended X-ray absorption fine structure (EXAFS) and diffraction anomalous fine structure (DAFS) have been applied to investigate a local structure for the CdSe/ZnSe quantum dots grown by molecular beam epitaxy (MBE) and migration-enhanced epitaxy (MEE). The aim was to study the intermixing of Cd and Zn atoms, chemical compositions and strain induced by cap-layer. The EXAFS at the Cd K-edge and DAFS at the Se K-edge proved the intermixing of Cd and Zn atoms. The distances Cd–Se (2.61 Å) found from EXAFS and DAFS analysis for h 1 region is closer to that in bulk CdSe (2.62 Å). The DAFS analysis revealed the differences in the local structure in two investigated regions (i.e. different iso-strain volumes) on the quantum dots. It was found that the investigated areas differ in the Cd concentration. To explain the experimental results the theoretical calculation based on a full valence-force field (VFF) model was performed. The theoretical VFF model fully explains the experimental data.

  18. Cation distribution in NiZn-ferrite films determined using x-ray absorption fine structure

    Science.gov (United States)

    Harris, V. G.; Koon, N. C.; Williams, C. M.; Zhang, Q.; Abe, M.

    1996-04-01

    We have applied extended x-ray absorption fine structure (EXAFS) spectroscopy to study the cation distribution in a series of spin-sprayed NiZn-ferrite films, Ni0.15ZnyFe2.85-yO4 (y=0.16, 0.23, 0.40, 0.60). The Ni, Zn, and Fe EXAFS were collected from each sample and analyzed to Fourier transforms. Samples of Ni-ferrite, Zn-ferrite, and magnetite were similarly studied as empirical standards. These standards, together with EXAFS data generated from the theoretical EXAFS FEFF codes, allowed the correlation of features in the Fourier transforms with specific lattice sites in the spinel unit cell. We find that the Ni ions reside mostly on the octahedral (B) sites whereas the Zn ions are predominantly on the tetrahedral (A) sites. The Fe ions reside on both A and B sites in a ratio determined by the ratio of Zn/Fe. The addition of Zn displaces a larger fraction of Fe cations onto the B sites serving to increase the net magnetization. The fraction of A site Ni ions is measured to increase peaking at ≊25% for y=0.6. At higher Zn concentrations (y≥0.5) the lattice experiences local distortions around the Zn sites causing a decrease in the superexchange resulting in a decrease in the net magnetization.

  19. Model for Astrophysical X-Ray Absorption Fine Structure

    International Nuclear Information System (INIS)

    Forrey, R.C.; Woo, J.W.; Cho, K.

    1998-01-01

    We present a theoretical model and database designed to provide analysis of astrophysical X-ray absorption fine structure (XAFS). The model includes spherical wave corrections and multiple-scattering contributions to the modification of the X-ray absorption coefficient. The model and database provide the basis for the astrophysical XAFS analysis (AXA) tool, which may be used to analyze properties of interstellar grains and molecules from high-resolution X-ray spectra expected to be observed by future satellite missions (e.g., the Advanced X-ray Astrophysics Facility). copyright copyright 1998. The American Astronomical Society

  20. Structure of Rhodium/Titania in the Normal and the SMSI State as Determined by Extended X-ray Absorption Fine Structure and High Resolution Transmission Electron Microscopy

    NARCIS (Netherlands)

    Koningsberger, D.C.; Martens, H.A.; Prins, R.

    1988-01-01

    Extended X-ray absorption fine structure (EXAFS) and high-resolution transmission electron microscopy (HRTEM) have been used to study the structure of a Rh/Ti02 catalyst. After reduction in H, at 473 K (when the catalyst is in the normal state) the metal particles contain on the average five rhodium

  1. Local Environment sSrrounding S and Cd in CdS:O Thin Film Photovoltaic Materials Probed by X-ray Absorption Fine Structures

    Energy Technology Data Exchange (ETDEWEB)

    Soo,Y.; Sun, W.; Weng, S.; Lin, Y.; Chang, S.; Jang, L.; Wu, X.; Yan, Y.

    2006-01-01

    Local environments surrounding Cd and S in CdS:O thin films have been determined using extended x-ray absorption fine structure (EXAFS) and near-edge x-ray absorption fine structure (NEXAFS). As indicated by the Cd EXAFS, Cd atoms remain predominantly bonded with S. The S EXAFS and NEXAFS clearly demonstrate the presence of S-O bonds. The oxygen atoms actually combine with S to form SO{sub 3} and SO{sub 4} complexes. Combined with the transmission electron micrograph, these x-ray results suggest formation of oxygen-free CdS nanocrystals and provide an unambiguous explanation for the mystery of increased band gap that appears to violate the band anticrossing model.

  2. Extended x-ray absorption fine structure studies of amorphous and crystalline Si-Ge alloys with synchrotron radiation

    International Nuclear Information System (INIS)

    Kajiyama, Hiroshi

    1988-01-01

    Extended X-ray absorption fine structure (EXAFS) is a powerful probe to study the local structure around the atom of a specific element. In conventional EXAFS analysis, it has been known that reliable structures are obtained with the different values of absorption edge energy for different neighboring atoms. It is shown in this study that the Ge-K edge EXAFS resulting from the Ge-Ge and Ge-Si bonds in hydrogenated amorphous Si-Ge alloys was able to be excellently explained by a unique absorption edge energy value, provided that a newly developed formula based on the spherical wave function of photoelectrons is used. The microscopic structures of hydrogenated amorphous Si-Ge alloys and crystalline Si-Ge alloys have been determined using the EXAFS method. The lengths of Ge-Ge and Ge-Si bonds were constant throughout their entire composition range, and it was found that the length of Ge-Si bond was close to the average value of the bond lengths of both Ge and Si crystals. In crystalline Si-Ge alloys, it has been shown that the bonds relaxed completely, while the lattice constant varied monotonously with the composition. (Kako, I.)

  3. Extended x-ray absorption fine structure investigation of annealed carbon expanded austenite

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas L.; Somers, Marcel A. J.

    2012-01-01

    Carbon expanded austenite synthesized through carburizing of austenitic stainless steel powder at 380°C was annealed at 470°C and investigated with extended X-ray absorption fine structure (EXAFS) and synchrotron powder diffraction (SPD). SPD showed that the samples consisted of carbon expanded...... austenite and Hägg carbide, Ξ-M5C2. EXAFS showed that the Cr atoms were mainly present in environments similar to the carbides Hägg Ξ-M5C2 and M23C6. The environments of the Fe and Ni atoms were concluded to be largely metallic austenite. Light optical micrograph of stainless steel AISI 316 gas......-carburized in a temperature regime around 470°C. The surface zone is converted into carbon expanded austenite; the high interstitial content of carbon dissolved in the surface results in highly favorable materials properties. In the present article the local atomic environment of (annealed) carbon expanded austenite...

  4. A cell for extended x-ray absorption fine structure studies of oxygen sensitive products of redox reactions

    International Nuclear Information System (INIS)

    Furenlid, L.R.; Renner, M.W.; Fajer, J.

    1990-01-01

    We describe a cell suitable for extended x-ray absorption fine structure (EXAFS) studies of oxygen and/or water sensitive products of redox reactions. The cell utilizes aluminized Mylar windows that are transparent to x rays, provide low gas permeability, and allow vacuum to be maintained in the cell. The windows are attached to the glassware with an epoxy that resists attack by common organic solvents. Additional side arms allow multiple spectroscopic probes of the same sample under anaerobic and anhydrous conditions

  5. Ultrafast time-resolved transient structures of solids and liquids by means of extended X-ray absorption fine structure.

    Science.gov (United States)

    Tomov, Ivan V; Rentzepis, Peter M

    2004-01-23

    Detection of ultrafast transient structures and the evolution of ultrafast structural intermediates during the course of reactions has been a long standing goal of chemists and biologists. This article will be restricted to nanosecond, picosecond and shorter time-resolved extended X-ray absorption fine structure (EXAFS) studies, its aim being to present the progress and problems encounter in measurements and understanding the structure of transients. The recent advances in source technology has stimulated a wide variety of novel experiments using both synchrotrons and smaller laboratory size systems. With more efficient X-ray lenses and detectors many of the previously difficult experiments to perform, because of the exposure time required and weak signals, will now be easily performed. The experimental system for the detection of ultrafast, time-resolved EXAFS spectra of molecules in liquids is described and the method for the analysis of EXAFS spectra to yield transient structures is given. We believe that utilizing our table-top ultrafast X-ray source and the polycapillary optics in conjunction with dispersive spectrometer and charge coupled devices (CCD) we will be able to determine the structure of many reaction intermediates and excited states of chemical and biological molecules in solid and liquid state.

  6. Advanced approach to the local structure reconstruction and theory validation on the example of the W L3-edge extended x-ray absorption fine structure of tungsten

    Science.gov (United States)

    Jonane, Inga; Anspoks, Andris; Kuzmin, Alexei

    2018-02-01

    Atomistic simulations of the experimental W L3-edge extended x-ray absorption fine structure (EXAFS) of bcc tungsten at T = 300 K were performed using classical molecular dynamics (MD) and reverse Monte Carlo (RMC) methods. The MD-EXAFS method based on the results of MD simulations allowed us to access the structural information, encoded in EXAFS, beyond the first coordination shell and to validate the accuracy of two interaction potential models—the embedded atom model potential and the second nearest-neighbor modified embedded atom method potential. The RMC-EXAFS method was used for more elaborate analysis of the EXAFS data giving access to thermal disorder effects. The results of both methods suggest that the correlation in atomic motion in bcc tungsten becomes negligible above 8 Å. This fact allowed us to use the EXAFS data to determine not only mean-square relative displacements of atomic W–W pair motion but also mean-square displacements of individual tungsten atoms, which are usually accessible from diffraction data only.

  7. Near-edge x-ray absorption fine structure measurements using a laboratory-scale XUV source

    Energy Technology Data Exchange (ETDEWEB)

    Peth, Christian; Barkusky, Frank; Mann, Klaus [Laser-Laboratorium Goettingen e.V., Hans-Adolf-Krebs-Weg 1, D-37077 Goettingen (Germany)

    2008-05-21

    We present a compact setup for near-edge x-ray absorption spectroscopy at the carbon K-edge based on a laser-driven plasma source. To generate the required broad-band emission in the spectral range of the 'water window' ({lambda} = 2.2-4.4 nm) a krypton gas puff target was used. The table-top setup consisting basically of the laser-plasma source and a flat-field spectrometer can be used for near-edge x-ray absorption fine structure experiments in transmission as well as reflection under grazing incidence conditions (ReflEXAFS). The latter method offers the advantage that thin film preparation is not necessary and that the surface sensitivity is strongly enhanced. The results obtained for thin polymer films show good agreement with synchrotron data. Furthermore, we use the ReflEXAFS method to investigate changes in the chemical composition of PMMA induced by extreme ultraviolet (EUV) radiation. The spectra indicate a loss of the carbonyl functional group upon irradiation as well as crosslinking effects at high EUV radiation doses.

  8. Quick extended x-ray absorption fine structure instrument with millisecond time scale, optimized for in situ applications

    Science.gov (United States)

    Khalid, S.; Caliebe, W.; Siddons, P.; So, I.; Clay, B.; Lenhard, T.; Hanson, J.; Wang, Q.; Frenkel, A. I.; Marinkovic, N.; Hould, N.; Ginder-Vogel, M.; Landrot, G. L.; Sparks, D. L.; Ganjoo, A.

    2010-01-01

    In order to learn about in situ structural changes in materials at subseconds time scale, we have further refined the techniques of quick extended x-ray absorption fine structure (QEXAFS) and quick x-ray absorption near edge structure (XANES) spectroscopies at beamline X18B at the National Synchrotron Light Source. The channel cut Si (111) monochromator oscillation is driven through a tangential arm at 5 Hz, using a cam, dc motor, pulley, and belt system. The rubber belt between the motor and the cam damps the mechanical noise. EXAFS scan taken in 100 ms is comparable to standard data. The angle and the angular range of the monochromator can be changed to collect a full EXAFS or XANES spectrum in the energy range 4.7-40.0 KeV. The data are recorded in ascending and descending order of energy, on the fly, without any loss of beam time. The QEXAFS mechanical system is outside the vacuum system, and therefore changing the mode of operation from conventional to QEXAFS takes only a few minutes. This instrument allows the acquisition of time resolved data in a variety of systems relevant to electrochemical, photochemical, catalytic, materials, and environmental sciences.

  9. Spectroscopic phonon and extended x-ray absorption fine structure measurements on 3C-SiC/Si (001) epifilms

    Science.gov (United States)

    Talwar, Devki N.; Wan, Linyu; Tin, Chin-Che; Lin, Hao-Hsiung; Feng, Zhe Chuan

    2018-01-01

    Comprehensive experimental and theoretical studies are reported to assess the vibrational and structural properties of 3C-SiC/Si (001) epilayers grown by chemical vapor deposition in a vertical reactor configuration. While the phonon features are evaluated using high resolution infrared reflectance (IRR) and Raman scattering spectroscopy (RSS) - the local inter-atomic structure is appraised by synchrotron radiation extended x-ray absorption fine structure (SR-EXAFS) method. Unlike others, our RSS results in the near backscattering geometry revealed markedly indistinctive longitudinal- and transverse-optical phonons in 3C-SiC epifilms of thickness d < 0.4 μm. The estimated average value of biaxial stress is found to be an order of magnitude smaller while the strains are two-orders of magnitude lower than the lattice misfits between 3C-SiC and Si bulk crystals. Bruggeman's effective medium theory is utilized to explain the observed atypical IRR spectra in 3C-SiC/Si (001) epifilms. High density intrinsic defects present in films and/or epilayer/substrate interface are likely to be responsible for (a) releasing misfit stress/strains, (b) triggering atypical features in IRR spectra, and (c) affecting observed local structural traits in SR-EXAFS.

  10. Directional fine structure in absorption of white x rays: A tomographic interpretation

    International Nuclear Information System (INIS)

    Korecki, P.; Szymonski, M.; Tolkiehn, M.; Novikov, D. V.; Materlik, G.

    2006-01-01

    We discuss directional fine structure in absorption of white x rays for tomographic imaging of crystal structure at the atomic level. The interference between a direct x-ray beam and the secondary waves coherently scattered inside a specimen modifies the total wave field at the position of the absorbing atoms. For a white x-ray beam, the wave field variations cancel out by energy integration for all directions, except for the near forward scattering components, coinciding with the incident beam. Therefore, two-dimensional patterns of the angular-dependent fine structure in absorption of white x rays can be interpreted as real-space projections of atomic structure. In this work, we present a theory describing the directional fine structure in white x-ray absorption and a tomographic approach for crystal structure retrieval developed on its basis. The tomographic algorithm is applied to the experimental x-ray absorption data recorded for GaP crystals

  11. Reduced-temperature crystallization of thin amorphous Fe80B20 films studied via empirical modeling of extended x-ray absorption fine structure

    Science.gov (United States)

    Harris, V. G.; Oliver, S. A.; Ayers, J. D.; Das, B. N.; Koon, N. C.

    1996-04-01

    The evolution of the local atomic environment around Fe atoms in very thin (15 nm), amorphous, partially crystallized and fully crystallized films of Fe80B20 was studied using extended x-ray absorption fine structure (EXAFS) measurements. The relative atomic fraction of each crystalline phase present in the annealed samples was extracted from the Fe EXAFS data by a least-squares fitting procedure, using data collected from t-Fe3B, t-Fe2B, and α-Fe standards. The type and relative fraction of the crystallization products follows the trends previously measured in Fe80B20 melt-spun ribbons, except for the fact that crystallization temperatures are ≊200 K lower than those measured in bulk equivalents. This greatly reduced crystallization temperature may arise from the dominant role of surface nucleation sites in the crystallization of very thin amorphous films.

  12. Comparison between Einstein and Debye models for an amorphous Ni46Ti54 alloy produced by mechanical alloying investigated using extended x-ray absorption fine structure and cumulant expansion.

    Science.gov (United States)

    Machado, K D

    2011-02-14

    We investigated an amorphous Ni(46)Ti(54) alloy produced by mechanical alloying using extended x-ray absorption fine structure (EXAFS) technique and cumulant expansion considering Einstein and Debye models for the temperature dependence of the cumulants. Results obtained from both models were compared and very similar values were obtained. From them, we found information about the structure of the alloy besides thermal and structural disorder, anharmonicity, thermal expansion, and asymmetry of the partial distribution functions g(ij)(r). The cumulants C(1)(*), C(2)(*), and C(3)(*) also allowed us to reconstruct the g(ij)(r, T) functions from EXAFS.

  13. Extended x-ray absorption fine structure studies of the atomic structure of nanoparticles in different metallic matrices.

    Science.gov (United States)

    Baker, S H; Roy, M; Gurman, S J; Binns, C

    2009-05-06

    It has been appreciated for some time that the novel properties of particles in the size range 1-10 nm are potentially exploitable in a range of applications. In order to ultimately produce commercial devices containing nanosized particles, it is necessary to develop controllable means of incorporating them into macroscopic samples. One way of doing this is to embed the nanoparticles in a matrix of a different material, by co-deposition for example, to form a nanocomposite film. The atomic structure of the embedded particles can be strongly influenced by the matrix. Since some of the key properties of materials, including magnetism, strongly depend on atomic structure, the ability to determine atomic structure in embedded nanoparticles is very important. This review focuses on nanoparticles, in particular magnetic nanoparticles, embedded in different metal matrices. Extended x-ray absorption fine structure (EXAFS) provides an excellent means of probing atomic structure in nanocomposite materials, and an overview of this technique is given. Its application in probing catalytic metal clusters is described briefly, before giving an account of the use of EXAFS in determining atomic structure in magnetic nanocomposite films. In particular, we focus on cluster-assembled films comprised of Fe and Co nanosized particles embedded in various metal matrices, and show how the crystal structure of the particles can be changed by appropriate choice of the matrix material. The work discussed here demonstrates that combining the results of structural and magnetic measurements, as well as theoretical calculations, can play a significant part in tailoring the properties of new magnetic cluster-assembled materials.

  14. A combined fit of total scattering and extended x-ray absorption fine structure data for local-structure determination in crystalline materials

    Energy Technology Data Exchange (ETDEWEB)

    Proffen, Thomas E [Los Alamos National Laboratory; Krayzman, Victor [NIST; Levin, Igor [NIST; Tucker, Matt [ISIS, UK

    2009-01-01

    Reverse Monte Carlo (RMC) refinements of local structure using a simultaneous fit of X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) data were developed to incorporate an explicit treatment of both single- and multiple-scattering contributions to EXAFS. The refinement algorithm, implemented as an extension to the public domain computer software RMCProfile, enables accurate modeling of EXAFS over distances encompassing several coordination shells around the absorbing species. The approach was first tested on Ni, which exhibits extensive multiple scattering in EXAFS, and then applied to perovskite-like SrAl{sub 1/2}Nb{sub 1/2}O{sub 3}. This compound crystal1izes with a cubic double-perovskite structure but presents a challenge for local-structure determination using a total pair-distribution function (PDF) alone because of overlapping peaks of the constituent partial PDFs (e.g. Al-O and Nb-O or Sr-O and O-O). The results obtained here suggest that the combined use of the total scattering and EXAFS data provides sufficient constraints for RMC refinements to recover fine details of local structure in complex perovskites. Among other results, it was found that the probability density distribution for Sr in SrAl{sub 1/2}Nb{sub 1/2}O{sub 3} adopts T{sub d} point-group symmetry for the Sr sites, determined by the ordered arrangement of Al and Nb, as opposed to a spherical distribution commonly assumed in traditional Rietveld refinements.

  15. Two different zinc sites in bovine 5-aminolevulinate dehydratase distinguished by extended x-ray absorption fine structure

    International Nuclear Information System (INIS)

    Dent, A.J.; Hasnain, S.S.; Beyersmann, D.; Block, C.

    1990-01-01

    The zinc coordination in 5-aminolevulinate dehydratase was investigated by extended x-ray absorption fine structure (EXAFS) associated with the zinc K-edge. The enzyme binds 8 mol of zinc/mol of octameric protein, but only four zinc ions seem sufficient for full activity. The authors have undertaken a study on four forms of the enzyme: (a) the eight-zinc native enzyme; (b) the enzyme with only the four zinc sites necessary for full activation occupied; (c) the enzyme with the vacant sites of (b) occupied by four lead ions; (d) the product complex between (b) and porphobilinogen. They have shown that two structurally distinct types of zinc sites are available in the enzyme. The site necessary for activity has an average zinc environment best described by two/three histidines and one/zero oxygen from a group such as tyrosine or a solvent molecule at 2.06 ± 0.02 angstrom, one tyrosine or aspartate at 1.91 ± 0.03 angstrom, and one cysteine sulfur at 2.32 ± 0.03 angstrom with a total coordination of five ligands. The unoccupied site in (b) is dominated by a single contribution of four cysteinyl sulfur atoms at 2.28 ± 0.02 angstrom. Spectra from samples (c) and (d) show only small changes from that of (b), reflecting a slight rearrangement of the ligands around the zinc atom

  16. Solution spectroelectrochemical cell for in situ X-ray absorption fine structure

    International Nuclear Information System (INIS)

    Antonio, M.R.; Soderholm, L.

    1995-01-01

    A purpose-built spectroelectrochemical cell for in situ fluorescence XAFS (X-ray Absorption Fine Structure) measurements of bulk solution species during constant-potential electrolysis is described. The cell performance was demonstrated by the collection of europium L 3 -edge XANES (X-ray Absorption Near Edge Structure) throughout the course of electrolysis of an aqueous solution of EuCl 3 ·6H 2 O in 1 M H 2 SO 4 . The europium L 3 -edge resonances reported here for the Eu III and Eu II ions demonstrate that their 2p 3/2 → 5d electronic transition probabilities are not the same

  17. Extended X-ray absorption fine structure of copper(II) complexes at the air-water interface by a polarized total-reflection X-ray absorption technique.

    Science.gov (United States)

    Nagatani, Hirohisa; Tanida, Hajime; Watanabe, Iwao; Sagara, Takamasa

    2009-04-01

    Copper(II) complexes spread on an aqueous solution surface were studied by a polarized total-reflection X-ray absorption fine structure (TR-XAFS) technique. The polarized TR-XAFS spectra at the Cu-K edge for copper(II) porphyrins and copper(II) chlorophyllin in a monolayer were measured in situ at the air-water interface. The polarization dependences of X-ray absorption near-edge structure (XANES) involving a 1s-->4p(z) transition allowed us to estimate the molecular orientation and the local coordination structure around the copper(II) atom in the polarization plane selectively. The extended X-ray absorption fine structure (EXAFS) region of the polarized TR-XAFS spectra for the metal complexes present at the air-water interface was successfully analyzed for the first time. The relative coordination number for the copper center evaluated from the EXAFS analysis indicated larger values in the vertical polarization than in the horizontal one, in agreement with the standing-up molecular orientation at the air-water interface estimated from the XANES region.

  18. X-Ray Absorption Fine Structure Study for Fe60Ni40 Alloy

    International Nuclear Information System (INIS)

    Yang, Dong-Seok; Oh, Kyuseung; Na, Wonkyung; Kim, Nayoung; Yoo, Yong-Goo; Min, Seung-Gi; Yu, Seong-Cho

    2007-01-01

    Fe60Ni40 alloys were fabricated by the mechanical alloying process with process periods of 1, 2, 4, 6, 12 and 24 hours, respectively. The formation of alloy and the structural evolution of the alloy were examined by X-ray diffraction and extended X-ray absorption fine structure methods. With increase of alloying time the BCC phase of iron was changed significantly during the mechanical alloying process. The alloying was activated in about 6 hours and completed in about 24 hours

  19. Extended X-ray absorption fine structure investigation of nitrogen stabilized expanded austenite

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2010-01-01

    As-delivered austenitic stainless steel and nitrogen stabilized expanded austenite, both fully nitrided and denitrided (in H2), were investigated with Cr, Fe and Ni extended X-ray absorption fine structure. The data shows pronounced short-range ordering of Cr and N. For the denitrided specimen...... the N atoms remaining in the solid state after H2-reduction are trapped by Cr atoms. Quantitative interpretation in terms of the local distortions around Cr atoms and their N coordination number reveals that no Cr–N clusters or CrN platelets are present....

  20. Surface extended x-ray absorption fine structure of low-Z absorbates using fluorescence detection

    International Nuclear Information System (INIS)

    Stoehr, J.; Kollin, E.B.; Fischer, D.A.; Hastings, J.B.; Zaera, F.; Sette, F.

    1985-05-01

    Comparison of x-ray fluorescence yield (FY) and electron yield surface extended x-ray absorption fine structure spectra above the S K-edge for c(2 x 2) S on Ni(100) reveals an order of magnitude higher sensitivity of the FY technique. Using FY detection, thiophene (C 4 H 4 S) chemisorption on Ni(100) is studied with S coverages down to 0.08 monolayer. The molecule dissociates at temperatures as low as 100K by interaction with fourfold hollow Ni sites. Blocking of these sites by oxygen leaves the molecule intact

  1. Single shot near edge x-ray absorption fine structure spectroscopy in the laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Mantouvalou, I., E-mail: ioanna.mantouvalou@tu-berlin.de; Witte, K.; Martyanov, W.; Jonas, A.; Grötzsch, D.; Kanngießer, B. [Institute for Optics and Atomic Physics, Technical University of Berlin, D-10623 Berlin (Germany); Streeck, C. [Physikalisch-Technische Bundesanstalt (PTB), D-10587 Berlin (Germany); Löchel, H.; Rudolph, I.; Erko, A. [Helmholtz-Zentrum Berlin, D-14109 Berlin (Germany); Stiel, H. [Max Born Institute for Nonlinear Optics and Short Pulse Spectroscopy, D-12489 Berlin (Germany)

    2016-05-16

    With the help of adapted off-axis reflection zone plates, near edge X-ray absorption fine structure spectra at the C and N K-absorption edge have been recorded using a single 1.2 ns long soft X-ray pulse. The transmission experiments were performed with a laser-produced plasma source in the laboratory rendering time resolved measurements feasible independent on large scale facilities. A resolving power of E/ΔE ∼ 950 at the respective edges could be demonstrated. A comparison of single shot spectra with those collected with longer measuring time proves that all features of the used reference samples (silicon nitrate and polyimide) can be resolved in 1.2 ns. Hence, investigations of radiation sensitive biological specimen become possible due to the high efficiency of the optical elements enabling low dose experiments.

  2. miXAFS: a program for X-ray absorption fine-structure data analysis.

    Science.gov (United States)

    Ikemoto, H

    2018-03-01

    A new program called miXAFS for the analysis of X-ray absorption fine-structure (XAFS) data is presented. miXAFS can analyze the XAFS functions simultaneously for all measured X-ray absorption edges of the constituent elements in a sample under the constraints for the structural parameters over the edges. The program provides a surface plot of the R-factor as a function of two structural parameters, which is useful to validate the optimized structural parameters. The structural parameters can be obtained from the XAFS data in a few steps using the setting file and batch process. The program, which is coded in MATLAB and freely available, runs on Macintosh and Windows operating systems. It has a graphical user interface and loads experimental data and XAFS functions in a variety of ASCII data formats.

  3. Incomplete transformations of Pb to pyromorphite by phosphate-induced immobilization investigated by X-ray absorption fine structure (XAFS) spectroscopy.

    Science.gov (United States)

    Hashimoto, Yohey; Takaoka, Masaki; Oshita, Kazuyuki; Tanida, Hajime

    2009-07-01

    For an accurate assessment of immobilization technologies, it is necessary to illustrate the transformation of target metal species into their final products. The present study employed extended X-ray absorption fine structure (EXAFS) spectroscopy combined with linear combination fitting (LCF) to determine Pb species and their proportions in contaminated soils treated with phosphate amendments. Lead contaminated soils collected from a shooting range were separately treated with calcium phosphate (CP), hydroxyapatite synthesized from ceramic waste (CHA), and incinerated poultry litter (PW). Soils were incubated at 32% water content for 7 and 380 d. The EXAFS-LCF analysis illustrated that Pb speciation in the control soil included organically-complexed phases (Pb(org), 32%), PbO (22%), PbCO(3) (28%), and Pb(3)(CO(3))(2)(OH)(2) (8%). As the incubation period increased, the proportion of chloropyromorphite [Pb(5)(PO(4))(3)Cl] increased from 20% to 27% in CHA and from 19% to 31% in CP soils. The spectra of PW-amended soils were reproduced adequately with a combination of Pb(org), PbO, and chloropyromorphite in the proportion of about 20%, 45%, and 23%, respectively. The effectiveness of amendments on Pb immobilization as indicated by the chloropyromorphite proportion was in the order of CP (31%)>CHA (27%)>PW (23%) after 380 d of incubation. Our study indicates that about 70% of Pb species was not immobilized as a form of chloropyromorphite, and the additional supply of phosphate amendment scarcely promoted chloropyromorphite formation. The EXAFS-LCF approach illustrated that organically-complexed Pb was persistent in all amended soils, suggesting that an enriched soil organic carbon may be an inhibitory factor for pyromorphite transformations.

  4. The structure of liquid semiconductors, superionic conductors and glasses by neutron scattering, X-ray diffraction and extended X-ray absorption fine structure

    International Nuclear Information System (INIS)

    Buchanan, P.

    2001-09-01

    A study of the applicability of modern X-ray and neutron scattering techniques to the study of the structure of liquid semiconductors and glasses has been made. The results demonstrate how neutron scattering with isotopic substitution (NDIS), anomalous X-ray scattering and Extended X-ray Absorption Fine Structure (EXAFS) can be successfully used to elucidate the structure of materials that cannot be studied by NDIS alone. The local coordination structure of Ag 2 Se in its room temperature, superionic and liquid phases has been determined using the EXAFS technique. This EXAFS data have been combined with previously available neutron diffraction data to provide a refinement of the structure obtained through neutron diffraction alone. The structure of GeO 2 has been determined to the full partial structure factor level using a combination of anomalous X-ray scattering and neutron diffraction measurements. The data are in good agreement with previously obtained results. The partial structure factors of P 40 Se 60 and P 50 Se 50 have been determined to the first order difference level using the anomalous X-ray diffraction technique. The structure of liquid Ga 2 Te 3 has been determined to the partial structure factor level using combined neutron diffraction with isotopic substitution (NDIS) and anomalous X-ray diffraction. The structure of liquid FeSe 2 has been determined to the first order difference level using the NDIS technique alone. The structure of liquid FeTe 2 was determined at the total structure factor level using neutron diffraction in order to estimate the effect of chalcogenide ion size on the structure. The results demonstrate the feasibility of the additional structural determination techniques for disordered materials made possible through the development of third generation X-ray synchrotron sources. (author)

  5. An X-ray Absorption Fine Structure study of Au adsorbed onto the non-metabolizing cells of two soil bacterial species

    Energy Technology Data Exchange (ETDEWEB)

    Song, Zhen; Kenney, Janice P.L.; Fein, Jeremy B.; Bunker, Bruce A. (Notre)

    2015-02-09

    Gram-positive and Gram-negative bacterial cells can remove Au from Au(III)-chloride solutions, and the extent of removal is strongly pH dependent. In order to determine the removal mechanisms, X-ray Absorption Fine Structure (XAFS) spectroscopy experiments were conducted on non-metabolizing biomass of Bacillus subtilis and Pseudomonas putida with fixed Au(III) concentrations over a range of bacterial concentrations and pH values. X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) data on both bacterial species indicate that more than 90% of the Au atoms on the bacterial cell walls were reduced to Au(I). In contrast to what has been observed for Au(III) interaction with metabolizing bacterial cells, no Au(0) or Au-Au nearest neighbors were observed in our experimental systems. All of the removed Au was present as adsorbed bacterial surface complexes. For both species, the XAFS data suggest that although Au-chloride-hydroxide aqueous complexes dominate the speciation of Au in solution, Au on the bacterial cell wall is characterized predominantly by binding of Au atoms to sulfhydryl functional groups and amine and/or carboxyl functional groups, and the relative importance of the sulfhydryl groups increases with increasing pH and with decreasing Au loading. The XAFS data for both microorganism species suggest that adsorption is the first step in the formation of Au nanoparticles by bacteria, and the results enhance our ability to account for the behavior of Au in bacteria-bearing geologic systems.

  6. X-ray Absorption Fine Structure (XAFS) Studies of Oxide Glasses—A 45-Year Overview

    Science.gov (United States)

    Zanotto, Edgar Dutra

    2018-01-01

    X-ray Absorption Fine Structure (XAFS) spectroscopy has been widely used to characterize the short-range order of glassy materials since the theoretical basis was established 45 years ago. Soon after the technique became accessible, mainly due to the existence of Synchrotron laboratories, a wide range of glassy materials was characterized. Silicate glasses have been the most studied because they are easy to prepare, they have commercial value and are similar to natural glasses, but borate, germanate, phosphate, tellurite and other less frequent oxide glasses have also been studied. In this manuscript, we review reported advances in the structural characterization of oxide-based glasses using this technique. A focus is on structural characterization of transition metal ions, especially Ti, Fe, and Ni, and their role in different properties of synthetic oxide-based glasses, as well as their important function in the formation of natural glasses and magmas, and in nucleation and crystallization. We also give some examples of XAFS applications for structural characterization of glasses submitted to high pressure, glasses used to store radioactive waste and medieval glasses. This updated, comprehensive review will likely serve as a useful guide to clarify the details of the short-range structure of oxide glasses. PMID:29382102

  7. X-ray Absorption Fine Structure (XAFS Studies of Oxide Glasses—A 45-Year Overview

    Directory of Open Access Journals (Sweden)

    Valmor Roberto Mastelaro

    2018-01-01

    Full Text Available X-ray Absorption Fine Structure (XAFS spectroscopy has been widely used to characterize the short-range order of glassy materials since the theoretical basis was established 45 years ago. Soon after the technique became accessible, mainly due to the existence of Synchrotron laboratories, a wide range of glassy materials was characterized. Silicate glasses have been the most studied because they are easy to prepare, they have commercial value and are similar to natural glasses, but borate, germanate, phosphate, tellurite and other less frequent oxide glasses have also been studied. In this manuscript, we review reported advances in the structural characterization of oxide-based glasses using this technique. A focus is on structural characterization of transition metal ions, especially Ti, Fe, and Ni, and their role in different properties of synthetic oxide-based glasses, as well as their important function in the formation of natural glasses and magmas, and in nucleation and crystallization. We also give some examples of XAFS applications for structural characterization of glasses submitted to high pressure, glasses used to store radioactive waste and medieval glasses. This updated, comprehensive review will likely serve as a useful guide to clarify the details of the short-range structure of oxide glasses.

  8. Near-Edge X-ray Absorption Fine Structure Spectroscopy of Diamondoid Thiol Monolayers on Gold

    Energy Technology Data Exchange (ETDEWEB)

    Willey, T M; Fabbri, J; Lee, J I; Schreiner, P; Fokin, A A; Tkachenko, B A; Fokina, N A; Dahl, J; Carlson, B; Vance, A L; Yang, W; Terminello, L J; van Buuren, T; Melosh, N

    2007-11-27

    Diamondoids, hydrocarbon molecules with cubic-diamond-cage structures, have unique properties with potential value for nanotechnology. The availability and ability to selectively functionalize this special class of nanodiamond materials opens new possibilities for surface-modification, for high-efficiency field emitters in molecular electronics, as seed crystals for diamond growth, or as robust mechanical coatings. The properties of self-assembled monolayers (SAMs) of diamondoids are thus of fundamental interest for a variety of emerging applications. This paper presents the effects of thiol substitution position and polymantane order on diamondoid SAMs on gold using near-edge X-ray absorption fine structure spectroscopy (NEXAFS) and X-ray photoelectron spectroscopy (XPS). A framework to determine both molecular tilt and twist through NEXAFS is presented and reveals highly ordered diamondoid SAMs, with the molecular orientation controlled by the thiol location. C 1s and S 2p binding energies are lower in adamantane thiol than alkane thiols on gold by 0.67 {+-} 0.05 eV and 0.16 {+-} 0.04 eV respectively. These binding energies vary with diamondoid monolayer structure and thiol substitution position, consistent with different amounts of steric strain and electronic interaction with the substrate. This work demonstrates control over the assembly, in particular the orientational and electronic structure, providing a flexible design of surface properties with this exciting new class of diamond clusters.

  9. Enhanced reflectance X-ray absorption fine structure sensitivity using a whispering-gallery waveguide

    CERN Document Server

    Chernov, V A; Kovalenko, N V; Zolotarev, K V

    2000-01-01

    A new technique of reflectance X-ray absorption fine structure (REFL-XAFS) utilizing waveguides where X-rays are reflected many times along the waveguide surface is discussed. The multiple total reflection (MTR) phenomenon highly increases X-ray interaction with the waveguide surface and hence offers higher sensitivity compared to conventional (single reflection) REFL-XAFS. On the one hand, this technique is a direct structural method for characterizing waveguides (e.g. capillaries) where the application of other methods is very difficult. On the other hand, the conventional thin wafer can be transformed to a whispering-gallery (WG) waveguide by bending to a curved mirror. Ray tracing calculations demonstrate that the WG waveguide is very suitable for REFL-XAFS measurements. This method was experimentally realized for a cylindrically bent silica wafer with the surface covered with a GeO sub 2 monolayer. The Ge K-edge REFL-XAFS measurements were performed using both MTR and conventional techniques. The MTR tec...

  10. EXAFS investigations on PbMoO4 single crystals grown under ...

    Indian Academy of Sciences (India)

    Abstract. Extended X-ray absorption fine structure (EXAFS) measurements on PbMoO4 (LMO) crystals have been performed at the recently-commissioned dispersive EXAFS beamline (BL-8) of INDUS-2 Synchrotron facility at Indore, India. The LMO samples were prepared under three different conditions viz. (i) grown from ...

  11. Fine structure of the CCl3 UV absorption spectrum and CCl3 kinetics

    DEFF Research Database (Denmark)

    Ellermann, T.

    1992-01-01

    The UV gas-phase spectrum of CCl3 was recorded in the range 220-300 nm using pulse radiolysis of CHCl3/SF6 or CCl4/Ar gas mixtures. The UV spectrum exhibits a pronounced vibrational fine structure which is assigned to transition into the (C2A1'(3s)) Rydberg state. The vibronic progression has...

  12. Time-resolved pump-probe X-ray absorption fine structure spectroscopy of Gaq3

    International Nuclear Information System (INIS)

    Dicke, Benjamin

    2013-01-01

    Gallium(tris-8-hydroxyquinoline) (Gaq 3 ) belongs to a class of metal organic compounds, used as electron transport layer and emissive layer in organic light emitting diodes. Many research activities have concentrated on the optical and electronic properties, especially of the homologue molecule aluminum(tris-8-hydroxyquinoline) (Alq 3 ). Knowledge of the first excited state S 1 structure of these molecules could provide deeper insight into the processes involved into the operation of electronic devices, such as OLEDs and, hence, it could further improve their efficiency and optical properties. Until now the excited state structure could not be determined experimentally. Most of the information about this structure mainly arises from theoretical calculations. X-ray absorption fine structure (XAFS) spectroscopy is a well developed technique to determine both, the electronic and the geometric properties of a sample. The connection of ultrashort pulsed X-ray sources with a pulsed laser system offers the possibility to use XAFS as a tool for studying the transient changes of a sample induced by a laser pulse. In the framework of this thesis a new setup for time-resolved pump-probe X-ray absorption spectroscopy at PETRA III beamline P11 was developed for measuring samples in liquid form. In this setup the sample is pumped into its photo-excited state by a femtosecond laser pump pulse with 343 nm wavelength and after a certain time delay probed by an X-ray probe pulse. In this way the first excited singlet state S 1 of Gaq 3 dissolved in benzyl alcohol was analyzed. A structural model for the excited state structure of the Gaq 3 molecule based on the several times reproduced results of the XAFS experiments is proposed. According to this model it was found that the Ga-N A bond length is elongated, while the Ga-O A bond length is shortened upon photoexcitation. The dynamics of the structural changes were not the focus of this thesis. Nevertheless the excited state lifetime

  13. HIGH-TEMPERATURE EXAFS EXPERIMENTS ON LIQUID KPB ALLOYS ANALYZED WITH THE REVERSE MONTE-CARLO METHOD

    NARCIS (Netherlands)

    BRAS, W; XU, R; WICKS, JD; VANDERHORST, F; OVERSLUIZEN, M; MCGREEVY, RL; VANDERLUGT, W

    1994-01-01

    A new sample chamber has been designed which allows high temperature Extended X-ray Absorption Fine Structure (EXAFS) experiments on metallic melts which offer a number of special experimental problems: they are highly corrosive, have high vapour pressures and strongly absorb X-rays. The EXAFS

  14. Local Structure of Mn in (La1-xHox)2/3Ca1/3MnO3 Studied by X-ray Absorption Fine Structure

    International Nuclear Information System (INIS)

    Pietnoczka, A.; Bacewicz, R.; Antonowicz, J.; Zalewski, W.; Pekala, M.; Drozd, V.; Fagnard, J.F.; Vanderbemden, P.

    2010-01-01

    Results of X-ray absorption fine structure measurements in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 with 0.15 3 is doped with a divalent element such as Ca 2+ , substituting for La 3+ , holes are induced in the filled Mn d orbitals. This leads to a strong ferromagnetic coupling between Mn sites. Ca ions in La 1-x Ca x MnO 3 introduce a distortion of the crystal lattice and mixed valence Mn ions (Mn 3+ and Mn 4+ ). On the other hand, in manganites (La 1-x Ho x ) 2/3 Ca 1/3 MnO 3 the substitution of La for Ho causes a lattice distortion and induces a disorder, which reduces a magnetic interaction. The ferromagnetic transition temperature and conductivity decrease very quickly with increasing x. The magnetic and transport properties of compounds depend on the local atomic structure around Mn ions. The information on the bond lengths and Debye-Waller factor are obtained from the extended X-ray absorption fine structure (EXAFS) data analysis. The charge state of Mn is determined from the position of the absorption edge in X-ray absorption near edge structure (XANES) data. XAFS results are in good agreement with magnetic characteristics of the studied materials. (authors)

  15. Quantitative depth profiling of photoacid generators in photoresist materials by near-edge X-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Prabhu, Vivek M.; Sambasivan, Sharadha; Fischer, Daniel; Sundberg, Linda K.; Allen, Robert D.

    2006-01-01

    Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy was used to quantify the surface composition and depth profiling of photoacid generators in thin film photoresist materials by varying the entrance-grid bias of a partial electron yield detector. By considering model compositional profiles, NEXAFS distinguishes the surface molar excess within the top 6 nm from the bulk. A surface enriched system, triphenylsulfonium perfluorooctanesulfonate, is contrasted with a perfluorobutanesulfonate photoacid generator, which displays an appreciable surface profile within a 6 nm segregation length scale. These results, while applied to 193-nm photoresist materials, highlight a general approach to quantify NEXAFS partial electron yield data

  16. Soft x-ray-excited luminescence and optical x-ray absorption fine structures of tris (8-hydroxyquinoline) aluminum

    Science.gov (United States)

    Naftel, S. J.; Zhang, P.; Kim, P.-S.; Sham, T. K.; Coulthard, I.; Antel, W. J.; Freeland, J. W.; Frigo, S. P.; Fung, M.-K.; Lee, S. T.; Hu, Y. F.; Yates, B. W.

    2001-03-01

    Photoluminescence from tris (8-hydroxyquinoline) aluminum (Alq3) films has been observed using tunable soft x rays as an excitation source. The photons were tuned to energies above and below the K absorption edges of C, N, O, and Al. The luminescence was in turn used to monitor the absorption. It was found that the luminescence induced by soft x ray exhibits additional emission bands at shorter wavelengths compared to ultraviolet excitation. While all K edges exhibit optical x-ray absorption fine structures (XAFS) similar to those of total electron and fluorescence yield, the optical XAFS at the C K-edge resonance are enhanced for the C1s to π* transitions, indicating site specificity. These observations are attributed to the energetics of the process and the local electronic structure.

  17. PREFACE: The 15th International Conference on X-ray Absorption Fine Structure (XAFS15)

    Science.gov (United States)

    Wu, Z. Y.

    2013-04-01

    The 15th International Conference on X-ray Absorption Fine Structure (XAFS15) was held on 22-28 July 2012 in Beijing, P. R. China. About 340 scientists from 34 countries attended this important international event. Main hall Figure 1. Main hall of XAFS15. The rapidly increasing application of XAFS to the study of a large variety of materials and the operation of the new SR source led to the first meeting of XAFS users in 1981 in England. Following that a further 14 International Conferences have been held. Comparing a breakdown of attendees according to their national origin, it is clear that participation is spreading to include attendees from more and more countries every year. The strategy of development in China of science and education is increasing quickly thanks to the large investment in scientific and technological research and infrastructure. There are three Synchrotron Radiation facilities in mainland China, Hefei Light Source (HLS) in the National Natural Science Foundation of China (NSRL), Beijing Synchrotron Radiation Facility (BSRF) in the Institute of High Energy Physics, and Shanghai Synchrotron Radiation Facility (SSRF) in the Shanghai Institute of Applied Physics. More than 10000 users and over 5000 proposals run at these facilities. Among them, many teams from the USA, Japan, German, Italy, Russia, and other countries. More than 3000 manuscript were published in SCI journals, including (incomplete) Science (7), Nature (10), Nature Series (7), PNAS (3), JACS (12), Angew. Chem. Int. Ed. (15), Nano Lett. (2), etc. In XAFS15, the participants contributed 18 plenary invited talks, 16 parallel invited talks, 136 oral presentations, 12 special talks, and 219 poster presentations. Wide communication was promoted in the conference halls, the classical banquet restaurant, and the Great Wall. Parallel hallCommunicationPoster room Figure 2. Parallel hallFigure 3. CommunicationFigure 4. Poster room This volume contains 136 invited and contributed papers

  18. Atomic environments in iron meteorites using EXAFS

    International Nuclear Information System (INIS)

    Cressey, G.; Dent, A.J.; Dobson, B.; Evans, A.; Greaves, G.N.; Henderson, C.M.B.; Hutchison, R.; Jenkins, R.N.; Thompson, S.P.; Zhu, R.

    1989-01-01

    Extended x ray absorption fine structure (EXAFS) is observed as a modulation on the high energy side of an x ray absorption edge. It occurs when the photo-ejected electron wave is scattered by neighboring atoms in a solid, and interference occurs between the outgoing and scattered waves. The result is that the absorption spectrum carries a signature that is characteristic of the identity and disposition of scattering atoms around the absorbing atom. Therefore, it may be shown that the Fourier transform of the normalized EXAFS can provide detailed information about the immediate environment of specific atoms in a solid and is ideally suited to the study of cosmic dusts. A study of cosmic dust was initiated using EXAFS and other techniques. The simplest type of cosmic material, namely iron meteorites, was investigated

  19. EXAFS Analysis of Co-Containing Polymers

    OpenAIRE

    Chaboy , J.; Castro , C.

    1997-01-01

    In this work we present a detailed analysis of the extended x-ray absorption fine structure (EXAFS) spectra at the cobalt K-edge in a series of Co-containing polymers prepared by reaction of the Schiff-base polymer (C13H17N3) and a CoX2 salt where X = NO3, ClO4, Cl and (SO4)1/2. The analysis of EXAFS data has confirmed the formation of polymeric-coordination complexes as materials with a very low crystallinity.

  20. Determination of hexavalent chromium in plastic certified reference materials by X-ray absorption fine structure analysis

    International Nuclear Information System (INIS)

    Ohata, Masaki; Matsubayashi, Nobuyuki

    2014-01-01

    X-ray absorption fine structure (XAFS) analysis with transmission mode was used to determine the percentages of hexavalent chromium {Cr(VI)} in total Cr in plastic certified reference materials (CRMs). Cr-K edge X-ray absorption near-edge structure (XANES) spectra were observed and the normalized pre-edge peaks of the spectrum where absorption data was summed was acquired for the determination of Cr(VI). Examination of different number of data point and range of photon energy for summed absorption of the pre-edge peak resulted in reproducible absorption data, though the measurements were carried out at different beam time and beam line. The concentrations of Cr(VI) in the plastic CRMs were also estimated from both the certified value of total Cr and the determined percentage of Cr(VI). The analytical procedure and the estimated concentrations can be useful for the determination of Cr(VI) in plastics with respect to RoHS (restriction of the use of hazardous substances in electrical and electronics equipment) directive

  1. X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats environmental technology

    Energy Technology Data Exchange (ETDEWEB)

    Lezama-pacheco, Juan S [Los Alamos National Laboratory; Conradson, Steven D [Los Alamos National Laboratory; Clark, David L [Los Alamos National Laboratory

    2008-01-01

    X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO{sub 2+x}-type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO{sub 2+x}, and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO{sub 2+x} would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

  2. Extended x-ray absorption fine structure study of arsenic in HgCdTe: p-type doping linked to nonsubstitutional As incorporation in an unknown AsHg8 structure

    International Nuclear Information System (INIS)

    Biquard, X.; Alliot, I.; Ballet, P.

    2009-01-01

    An extended x-ray absorption fine structure (EXAFS) investigation has been carried out on arsenic-doped Hg 70 Cd 30 Te samples. The incorporation of atomic arsenic has been achieved using a nonconventional radio-frequency plasma source in a molecular beam epitaxy reactor. Two samples from the same epitaxial wafer have been studied. One underwent a 400 deg. C activation annealing under Hg pressure, leading to n to p-type conversion. In the commonly admitted scenario, this conversion is associated with the annealing-induced migration of As from a Hg site to a Te site. This study shows that this is not the case. Before annealing, As is found to be involved in noncrystalline structures: 50% inside an As 2 Te 3 chalcogenide glass and 50% inside a new AsHg 8 compact structure. After annealing, the As 2 Te 3 chalcogenide glass disappears, 31% of As occupies Hg sites and 69% incorporates inside this new AsHg 8 compact structure that occupies Te sites. The EXAFS results are in excellent agreement with 77 K Hall-effect measurements. The new AsHg 8 structure is found to have an acceptor behavior. Overall, this study provides an entirely new vision of extrinsic p-type doping of HgCdTe as well as the first experimental evidence of As site transfer induced by annealing.

  3. Structural Analysis of the Mn(IV)/Fe(III) Cofactor of Chlamydia Trachomatis Ribonucleotide Reductase By Extended X-Ray Absorption Fine Structure Spectroscopy And Density Functional Theory Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Younker, J.M.; Krest, C.M.; Jiang, W.; Krebs, C.; Bollinger, J.M.Jr.; Green, M.T.

    2009-05-28

    The class Ic ribonucleotide reductase from Chlamydia trachomatis (C{bar A}) uses a stable Mn(lV)/ Fe(lll) cofactor to initiate nucleotide reduction by a free-radical mechanism. Extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional theory (DFT) calculations are used to postulate a structure for this cofactor. Fe and Mn K-edge EXAFS data yield an intermetallic distance of -2.92 {angstrom}. The Mn data also suggest the presence of a short 1.74 {angstrom} Mn-O bond. These metrics are compared to the results of DFT calculations on 12 cofactor models derived from the crystal structure of the inactive Fe2(lll/ III) form of the protein. Models are differentiated by the protonation states of their bridging and terminal OH{sub x} ligands as well as the location of the Mn(lV) ion (site 1 or 2). The models that agree best with experimental observation feature a{mu}-1, 3-carboxylate bridge (E120), terminal solvent (H{sub 2}O/OH) to site 1, one {mu}-O bridge, and one {mu}-OH bridge. The site-placement of the metal ions cannot be discerned from the available data.

  4. Possible evidence for a variable fine-structure constant from QSO absorption lines: motivations, analysis and results

    Science.gov (United States)

    Murphy, M. T.; Webb, J. K.; Flambaum, V. V.; Dzuba, V. A.; Churchill, C. W.; Prochaska, J. X.; Barrow, J. D.; Wolfe, A. M.

    2001-11-01

    An experimental search for variation in the fundamental coupling constants is strongly motivated by modern high-energy physics theories. Comparison of quasar (QSO) absorption-line spectra with laboratory spectra provides a sensitive probe for variability of the fine-structure constant, α, over cosmological time-scales. We have previously developed and applied a new method providing an order-of-magnitude gain in precision over previous optical astrophysical constraints. Here we extend that work by including new quasar spectra of damped Lyman-α absorption systems. We also reanalyse our previous lower-redshift data and confirm our initial results. The constraints on α come from simultaneous fitting of absorption lines of subsets of the following species: Mgi, Mgii, Alii, Aliii, Siii, Crii, Feii, Niii and Znii. We present a detailed description of our methods and results based on an analysis of 49 quasar absorption systems (towards 28 QSOs) covering the redshift range [formmu2]0.5quote above is the raw value, not corrected for any of these systematic effects. The only significant systematic effects so far identified, if removed from our data, would lead to a more significant deviation of [formmu5]Δα/α from zero.

  5. Time-resolved pump and probe x-ray absorption fine structure spectroscopy at beamline P11 at PETRA III

    Energy Technology Data Exchange (ETDEWEB)

    Göries, D., E-mail: dennis.goeries@desy.de; Roedig, P.; Stübe, N.; Meyer, J.; Warmer, M.; Weckert, E.; Meents, A., E-mail: alke.meents@desy.de [DESY Photon Science, Deutsches Elektronen-Synchrotron (DESY), Notkestraße 85, 22607 Hamburg (Germany); Dicke, B.; Naumova, M.; Rübhausen, M. [Center for Free-Electron Laser Science (CFEL), Luruper Chaussee 149, 22761 Hamburg (Germany); Galler, A.; Gawelda, W.; Geßler, P.; Sotoudi Namin, H.; Beckmann, A. [European XFEL, Albert-Einstein Ring 19, 22761 Hamburg (Germany); Britz, A.; Bressler, C. [European XFEL, Albert-Einstein Ring 19, 22761 Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg (Germany); Schlie, M. [Institut für Experimentalphysik, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg (Germany)

    2016-05-15

    We report about the development and implementation of a new setup for time-resolved X-ray absorption fine structure spectroscopy at beamline P11 utilizing the outstanding source properties of the low-emittance PETRA III synchrotron storage ring in Hamburg. Using a high intensity micrometer-sized X-ray beam in combination with two positional feedback systems, measurements were performed on the transition metal complex fac-Tris[2-phenylpyridinato-C2,N]iridium(III) also referred to as fac-Ir(ppy){sub 3}. This compound is a representative of the phosphorescent iridium(III) complexes, which play an important role in organic light emitting diode (OLED) technology. The experiment could directly prove the anticipated photoinduced charge transfer reaction. Our results further reveal that the temporal resolution of the experiment is limited by the PETRA III X-ray bunch length of ∼103 ps full width at half maximum (FWHM).

  6. Near-edge X-ray absorption fine structure studies of Cr1−xMxN coatings

    International Nuclear Information System (INIS)

    Mahbubur Rahman, M.; Duan, Alex; Jiang, Zhong-Tao; Xie, Zonghan; Wu, Alex; Amri, Amun; Cowie, Bruce; Yin, Chun-Yang

    2013-01-01

    Highlights: •Al or Si is doped on CrN and AlN coatings using magnetron sputtering system. •NEXAFS analysis is conducted to measure the Al and Si K-edges, and chromium L-edge. •Structural evolution of CrN matrix with addition of Al or Si element is investigated. -- Abstract: Cr 1−x M x N coatings, with doping concentrations (Si or Al) varying from 14.3 to 28.5 at.%, were prepared on AISI M2 tool steel substrates using a TEER UDP 650/4 closed field unbalanced magnetron sputtering system. Near-edge X-ray absorption fine structure (NEXAFS) characterization was carried out to measure the aluminum and silicon K-edges, as well as chromium L-edge, in the coatings. Two soft X-ray techniques, Auger electron yield (AEY) and total fluorescence yield (TFY), were employed to investigate the surface and inner structural properties of the materials in order to understand the structural evolution of CrN matrix with addition of Al (or Si) elements. Investigations on the local bonding states and grain boundaries of the coatings, using NEXAFS technique, provide significant information which facilitates understanding of the local electronic structure of the atoms and shed light on the origins of the high mechanical strength and oxidation resistance of these technologically important coatings

  7. Determining Orientational Structure of Diamondoid Thiols Attached to Silver Using Near Edge X-ray Absorption Fine Structure Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Willey, T M; Lee, J I; Fabbri, J D; Wang, D; Nielsen, M; Randel, J C; Schreiner, P R; Fokin, A A; Tkachenko, B A; Fokina, N A; Dahl, J P; Carlson, R K; Terminello, L J; Melosh, N A; van Buuren, T

    2008-10-07

    Near-edge x-ray absorption fine structure spectroscopy (NEXAFS) is a powerful tool for determination of molecular orientation in self-assembled monolayers and other surface-attached molecules. A general framework for using NEXAFS to simultaneously determine molecular tilt and twist of rigid molecules attached to surfaces is presented. This framework is applied to self-assembled monolayers of higher diamondoid, hydrocarbon molecules with cubic-diamond-cage structures. Diamondoid monolayers chemisorbed on metal substrates are known to exhibit interesting electronic and surface properties. This work compares molecular orientation in monolayers prepared on silver substrates using two different thiol positional isomers of [121]tetramantane, and thiols derived from two different pentamantane structural isomers, [1212]pentamantane and [1(2,3)4]pentamantane. The observed differences in monolayer structure demonstrate the utility and limitations of NEXAFS spectroscopy and the framework. The results also demonstrate the ability to control diamondoid assembly, in particular the molecular orientational structure, providing a flexible platform for the modification of surface properties with this exciting new class of nanodiamond materials.

  8. Surface EXAFS - A mathematical model

    International Nuclear Information System (INIS)

    Bateman, J.E.

    2002-01-01

    Extended X-ray absorption fine structure (EXAFS) studies are a powerful technique for studying the chemical environment of specific atoms in a molecular or solid matrix. The study of the surface layers of 'thick' materials introduces special problems due to the different escape depths of the various primary and secondary emission products which follow X-ray absorption. The processes are governed by the properties of the emitted fluorescent photons or electrons and of the material. Their interactions can easily destroy the linear relation between the detected signal and the absorption cross-section. Also affected are the probe depth within the surface and the background superimposed on the detected emission signal. A general mathematical model of the escape processes is developed which permits the optimisation of the detection modality (X-rays or electrons) and the experimental variables to suit the composition of any given surface under study

  9. Exafs studies and simulations of local anisotropy in Co-Cr films

    NARCIS (Netherlands)

    Kemner, K.M.; Harris, V.G.; Elam, W.T.; Lodder, J.C.

    1995-01-01

    Extended x-ray absorption fine structure measurements of a Co78Cr22 film were performed using normal and glancing incident radiation in order to investigate, respectively, the in-plane and out-of-plane local structure and chemistry. The Fourier transformed EXAFS data of the in-plane and out-of-plane

  10. Artificial intelligence applied to the automatic analysis of absorption spectra. Objective measurement of the fine structure constant

    Science.gov (United States)

    Bainbridge, Matthew B.; Webb, John K.

    2017-06-01

    A new and automated method is presented for the analysis of high-resolution absorption spectra. Three established numerical methods are unified into one `artificial intelligence' process: a genetic algorithm (Genetic Voigt Profile FIT, gvpfit); non-linear least-squares with parameter constraints (vpfit); and Bayesian model averaging (BMA). The method has broad application but here we apply it specifically to the problem of measuring the fine structure constant at high redshift. For this we need objectivity and reproducibility. gvpfit is also motivated by the importance of obtaining a large statistical sample of measurements of Δα/α. Interactive analyses are both time consuming and complex and automation makes obtaining a large sample feasible. In contrast to previous methodologies, we use BMA to derive results using a large set of models and show that this procedure is more robust than a human picking a single preferred model since BMA avoids the systematic uncertainties associated with model choice. Numerical simulations provide stringent tests of the whole process and we show using both real and simulated spectra that the unified automated fitting procedure out-performs a human interactive analysis. The method should be invaluable in the context of future instrumentation like ESPRESSO on the VLT and indeed future ELTs. We apply the method to the zabs = 1.8389 absorber towards the zem = 2.145 quasar J110325-264515. The derived constraint of Δα/α = 3.3 ± 2.9 × 10-6 is consistent with no variation and also consistent with the tentative spatial variation reported in Webb et al. and King et al.

  11. X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

    This review gives a brief description of the theory and application of X-ray absorption spectroscopy, both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS), especially, pertaining to photosynthesis. The advantages and limitations of the methods are discussed. Recent advances in extended EXAFS and polarized EXAFS using oriented membranes and single crystals are explained. Developments in theory in understanding the XANES spectra are described. The application of X-ray absorption spectroscopy to the study of the Mn4Ca cluster in Photosystem II is presented.

  12. Molybdenum--substrate interactions in nitrogenase: an EXAFS study

    Energy Technology Data Exchange (ETDEWEB)

    Smith, J.P.

    1978-07-01

    The sensitivity of x-ray absorption edge spectra and extended x-ray absorption fine structure (EXAFS) to the environment of metal atoms make x-ray absorption spectroscopy a useful probe of the environment of the molybdenum in nitrogenase. It is of particular interest to investigate any perturbations of the environment of the molybdenum due to the presence of nitrogenase substrates. The results of measurements of the x-ray absorption spectra of nitrogenase samples by the absorption and fluorescence detection techniques are compared. The procedures used for the growth of Azotobacter vinelandii for the production of nitrogenase and the procedures used for the purification of nitrogenase are described in detail.

  13. Extended X-Ray Absorption Fine Structure Investigation of Carbon Stabilized Expanded Austenite and Carbides in Stainless Steel AISI 316

    DEFF Research Database (Denmark)

    Oddershede, Jette; Christiansen, Thomas; Ståhl, Kenny

    2011-01-01

    Low temperature carburized AISI 316 stainless steel - carbon expanded austenite - was investigated with EXAFS and synchrotron diffraction together with synthesized carbides of the type M3C2, M7C3 and M23C6. It was found that the chemical environment of carbon expanded austenite is not associated ...

  14. Annealing induced atomic rearrangements on (Ga,In) (N,As) probed by hard X-ray photoelectron spectroscopy and X-ray absorption fine structure.

    Science.gov (United States)

    Ishikawa, Fumitaro; Higashi, Kotaro; Fuyuno, Satoshi; Morifuji, Masato; Kondow, Masahiko; Trampert, Achim

    2018-04-13

    We study the effects of annealing on (Ga 0.64 ,In 0.36 ) (N 0.045 ,As 0.955 ) using hard X-ray photoelectron spectroscopy and X-ray absorption fine structure measurements. We observed surface oxidation and termination of the N-As bond defects caused by the annealing process. Specifically, we observed a characteristic chemical shift towards lower binding energies in the photoelectron spectra related to In. This phenomenon appears to be caused by the atomic arrangement, which produces increased In-N bond configurations within the matrix, as indicated by the X-ray absorption fine structure measurements. The reduction in the binding energies of group-III In, which occurs concomitantly with the atomic rearrangements of the matrix, causes the differences in the electronic properties of the system before and after annealing.

  15. EXAFS investigation on microstructure of La-based alloy deuteride

    CERN Document Server

    Chen Bo Fei; Xie Chao Mei; Chen Xi Ping; Liu Li Juan; Xie Ya Ning; Hu Tian Dou; Zhang Jing

    2002-01-01

    Extended X-ray absorption fine structure (EXAFS) spectra were measured to investigate the microstructure of La-based alloy deuteride. The radial structural functions of LaNi sub 4 sub . sub 2 sub 5 Al sub 0 sub . sub 7 sub 5 D sub x samples were obtained and the comparisons among different samples were performed. The results show that removal of deuterium is fast in La-Ni-Al hydrogen storage alloys under non-airtight condition

  16. Stabilization of high-temperature antimony oxide with molybdenum incorporation. Structure of Mo-doped Sb2O4 by powder neutron diffraction and extended X-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Teller, R.G.; Antonio, M.R.; Brazdil, J.F.; Mehicic, M.; Grasselli, R.K.

    1985-01-01

    It has been discovered that the presence of MoO 3 lowers the α-β transition in Sb 2 O 4 from 935 to 850 0 C with concurrent dissolution of Mo in the high-temperature (β) form. The structure of Mo-doped β-Sb 2 O 4 has been investigated by powder neutron diffraction, extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies, and scanning-electron microscopy (SEM). Cell parameters: a = 12.0571 (12) A, b = 4.8335 (1) A, c = 5.3838 (6) A, β = 105.579 (5) 0 , monoclinic, space group C2/c, Z = 4. Combining the results of these techniques leads to the hypothesis that Mo is located interstitially within channels of electron density in the Sb 2 O 4 structure with concurrent vacancy of two Sb/sup III/ atoms. There is no apparent oxygen deficiency in the resulting structure. 25 references, 6 figures, 3 tables

  17. Laser EXAFS

    International Nuclear Information System (INIS)

    Mallozzi, P.J.; Epstein, H.M.; Schwenzel, R.E.; Campbell, B.E.

    1983-01-01

    Apparatus for obtaining EXAFS data of a material, comprising means for directing radiant energy from a laser onto a target in such manner as to produce X-rays at the target of a selected spectrum and intensity, suitable for obtaining the EXAFS spectrum of the material, means for directing X-rays from the target onto spectral dispersive means so located as to direct the spectrally resolved X-rays therefrom onto recording means, and means for positioning a sample of material in the optical path of the X-rays, the recording means providing a reference spectrum of X-rays not affected by the sample and absorption spectrum of X-rays modified by transmission through the sample

  18. Extended X-ray absorption fine structure investigation of adsorption and separation phenomena of metal ions in organic resin.

    Science.gov (United States)

    Ikeda, Atsushi; Yaita, Tsuyoshi; Okamoto, Yoshihiro; Shiwaku, Hideaki; Suzuki, Shinichi; Suzuki, Tatsuya; Fujii, Yasuhiko

    2007-11-01

    Analytical technique using organic resins has already been well-developed, and its applications are employed in various fields; nevertheless, the chemical phenomena occurring inside the resin remain unclear for the most part. In the present study, we apply EXAFS spectroscopy to elucidate the adsorption and separation phenomena of metal ions by organic resin. That is, the chemical species of trivalent lanthanides (Ln(III)) adsorbed in a tertiary pyridine resin from hydrochloric acid and nitric acid solutions have been determined by EXAFS. The results in HCl solutions suggest that Ln(III) ions are partly dehydrated in the resin phase, enabling the pyridine groups of the resin and chloride ions to coordinate to the Ln(III) ions in their primary coordination sphere. On the other hand, Ln(III) ions are tightly coordinated by several nitrate ions in HNO3 solutions and they keep forming the nitrate complex even in the resin phase. The lighter Ln of Nd tends to form an anionic nitrate complex, [Nd(NO3)4.nH2O]-, in the resin phase, while the middle Ln of Sm exists as a cationic nitrate complex, [Sm(NO3)2.nH2O]+, for the most part. On the basis of these EXAFS results, the adsorption and separation mechanisms of the pyridine resin in HCl solutions are interpreted as the direct coordination of pyridine groups to metal ions, while the mechanisms in HNO3 solutions are mainly dominated by the anion-exchange reaction between the protonated pyridine groups and the anionic nitrate complexes of Ln(III). The obtained results demonstrate that the hydration of metal ions weakens, and instead, other complexations are enhanced in the resin phase.

  19. Diffraction anomalous fine structure using X-ray anomalous dispersion

    International Nuclear Information System (INIS)

    Soejima, Yuji; Kuwajima, Shuichiro

    1998-01-01

    A use of X-ray anomalous dispersion effects for structure investigation has recently been developed by using synchrotron radiation. One of the interesting method is the observation of anomalous fine structure which arise on diffraction intensity in energy region of incident X-ray at and higher than absorption edge. The phenomenon is so called Diffraction Anomalous Fine Structure (DAFS). DAFS originates in the same physical process an that of EXAFS: namely photoelectric effect at the corresponding atom and the interaction of photoelectron waves between the atom and neighboring atoms. In contrast with EXAFS, the method is available for only the crystalline materials, but shows effective advantages of the structure investigations by a use of diffraction: one is the site selectivity and the other is space selectivity. In the present study, demonstrations of a use of X-ray anomalous dispersion effect for the superstructure determination will be given for the case of PbZrO 3 , then recent trial investigations of DAFS in particular on the superlattice reflections will be introduced. In addition, we discuss about Forbidden Reflection near Edge Diffraction (FRED) which is more recently investigated as a new method of the structure analysis. (author)

  20. Effects of proton irradiation on structure of NdFeB permanent magnets studied by X-ray diffraction and X-ray absorption fine structure

    International Nuclear Information System (INIS)

    Yang, L.; Zhen, L.; Xu, C.Y.; Sun, X.Y.; Shao, W.Z.

    2011-01-01

    The effects of proton irradiation on the structure of NdFeB permanent magnet were investigated by X-ray diffraction and X-ray absorption fine structure (XAFS). The results reveal that proton irradiation has no effect on the long-range structure, but significantly affects the atomic local structure of the NdFeB magnet. The alignment degree of the magnet decreases and the internal stress of the lattice increases after proton irradiation. XAFS results show that the coordination number of Fe-Nd in the first neighboring coordination shell of the Fe atoms decreases and the disorder degree increases.

  1. Effects of proton irradiation on structure of NdFeB permanent magnets studied by X-ray diffraction and X-ray absorption fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Yang, L. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Zhen, L., E-mail: lzhen@hit.edu.c [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Xu, C.Y.; Sun, X.Y.; Shao, W.Z. [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2011-01-15

    The effects of proton irradiation on the structure of NdFeB permanent magnet were investigated by X-ray diffraction and X-ray absorption fine structure (XAFS). The results reveal that proton irradiation has no effect on the long-range structure, but significantly affects the atomic local structure of the NdFeB magnet. The alignment degree of the magnet decreases and the internal stress of the lattice increases after proton irradiation. XAFS results show that the coordination number of Fe-Nd in the first neighboring coordination shell of the Fe atoms decreases and the disorder degree increases.

  2. State of manganese in the photosynthetic apparatus. 1. Extended x-ray absorption fine structure studies on chloroplasts and di-.mu.-oxo-bridged dimanganese model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, J. A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics; Robertson, A. S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics; Smith, J. P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics; Thompson, A. C. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics; Cooper, S. R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics; Klein, M. P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Lab. of Chemical Biodynamics

    1981-09-01

    In this paper, extended X-ray absorption fine structure studies on the manganese contained in spinach chloroplasts and on certain di-p-oxo-bridged manganese dimers of the form (X2Mn)O2(MnX2) (X = 2,2'-bipyridine and 1 ,10-phenanthroline) are reported. From these studies, the manganese associated with photosynthetic oxygen evolution is suggested to occur as a bridged transition-metal dimer with most likely another manganese. Finally, extensive details on the analysis are included.

  3. Combinatorial near-edge x-ray absorption fine structure: Simultaneous determination of molecular orientation and bond concentration on chemically heterogeneous surfaces

    International Nuclear Information System (INIS)

    Genzer, Jan; Fischer, Daniel A.; Efimenko, Kirill

    2003-01-01

    We show that simultaneous molecular orientation and bond chemistry of planar chemically heterogeneous surfaces can be obtained by combining near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and rastering the incident x-ray beam on the specimen. This rastering produces serially two-dimensional NEXAFS images in space and energy, revealing information about the chemistry (including bond concentration) and orientation of the surface-bound molecules with submillimeter planar spatial resolution and submonolayer molecular sensitivity. We illustrate the power of the combinatorial NEXAFS method by simultaneously probing the concentration and molecular orientation of semifluorinated (SF) molecules in double-SF molecular gradients on flat silica substrates

  4. Near-edge x-ray absorption fine structure spectroscopy at atmospheric pressure with a table-top laser-induced soft x-ray source

    Energy Technology Data Exchange (ETDEWEB)

    Kühl, Frank-Christian, E-mail: Frank-christian.kuehl@mail.de; Müller, Matthias, E-mail: matthias.mueller@llg-ev.de; Schellhorn, Meike; Mann, Klaus [Laser-Laboratorium Göttingen e.V., Hans-Adolf-Krebs-Weg 1, D-37077 Göttingen (Germany); Wieneke, Stefan [Hochschule für angewandte Wissenschaft und Kunst, Von-Ossietzky-Str 99, D-37085 Göttingen (Germany); Eusterhues, Karin [Friedrich-Schiller-Universität Jena, Fürstengraben 1, D-07743 Jena (Germany)

    2016-07-15

    The authors present a table-top soft x-ray absorption spectrometer, accomplishing investigations of the near-edge x-ray absorption fine structure (NEXAFS) in a laboratory environment. The system is based on a low debris plasma ignited by a picosecond laser in a pulsed krypton gas jet, emitting soft x-ray radiation in the range from 1 to 5 nm. For absorption spectroscopy in and around the “water window” (2.3–4.4 nm), a compact helium purged sample compartment for experiments at atmospheric pressure has been constructed and tested. NEXAFS measurements on CaCl{sub 2} and KMnO{sub 4} samples were conducted at the calcium and manganese L-edges, as well as at the oxygen K-edge in air, atmospheric helium, and under vacuum, respectively. The results indicate the importance of atmospheric conditions for an investigation of sample hydration processes.

  5. Local hydrated structure of an Fe2+/Fe3+ aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods

    International Nuclear Information System (INIS)

    Ye Qing; Zhou Jing; Zhao Haifeng; Chen Xing; Chu Wangsheng; Zheng Xusheng; Marcelli, Augusto; Wu Ziyu

    2013-01-01

    The hydrated shell of both Fe 2+ and Fe 3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe 2+ and Fe 3+ are characterized by a regular octahedron with an Fe-O distance of 2.08Å for Fe 2+ and 1.96Å for Fe 3+ , and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe 2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe 2+ and Fe 3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe 3+ aqueous solution may be assigned to the contribution of the charge transfer. (authors)

  6. Predetermining acceptable noise limits of EXAFS spectra in the limit of stochastic noise

    International Nuclear Information System (INIS)

    Hu, Yung-Jin; Booth, Corwin H

    2009-01-01

    The effect of stochastic noise on Extended X-ray Absorption Fine Structure (EXAFS) data measurement, analysis, and fitting is discussed. Stochastic noise reduces the ability to uniquely fit a calculated model to measured EXAFS data. Such noise can be reduced by common methods that increase the signal-to-noise ratio; however, these methods are not always practical. Therefore, predetermined, quantitative knowledge of the level of acceptable stochastic noise when fitting for a particular model system is essential in maximizing the chances of a successful EXAFS experiment and minimizing wasted beamtime. This paper outlines a method to estimate, through simulation, the acceptable level of stochastic noise in EXAFS spectra that still allows a successful test of a proposed model compound.

  7. EXAFS study on dynamic structural property of porous morph-genetic SiC

    International Nuclear Information System (INIS)

    Ding, J.; Sun, B.H.; Fan, T.X.; Zhang, D.; Kamada, M.; Ogawa, H.; Guo, Q.X.

    2005-01-01

    Novel porous morph-genetic silicon carbide has been fabricated through sintering treatment, after infiltrating the methyl organic silicone resin to the bio-template. Its dynamic transition of structure during sintering process is investigated by extended X-ray absorption fine structure (EXAFS) for the first time. By analyzing Si K-edge EXAFS, it is found that the coordination number of the nearest C shell remains almost unchanged while that of the nearest Si shell dramatically changes when the structure is transformed from amorphous into crystalline state

  8. Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules

    DEFF Research Database (Denmark)

    Coriani, Sonia; Christiansen, Ove; Fransson, Thomas

    2012-01-01

    triple corrected excitation energies CCSDR(3). This work is a first step toward the extension of these theoretical electronic structure methods of well-established high accuracy in UV-vis absorption spectroscopies to applications concerned with x-ray radiation. From the imaginary part of the linear...... response function, the near K-edge x-ray absorption spectra of neon, water, and carbon monoxide are determined and compared with experiment. Results at the CCSD level show relative peak intensities in good agreement with experiment with discrepancies in transition energies due to incomplete treatment...

  9. Particle Formation from Pulsed Laser Irradiation of SootAggregates studied with scanning mobility particle sizer, transmissionelectron microscope and near-edge x-ray absorption fine structure.

    Energy Technology Data Exchange (ETDEWEB)

    Michelsen, Hope A.; Tivanski, Alexei V.; Gilles, Mary K.; vanPoppel, Laura H.; Dansson, Mark A.; Buseck, Peter R.; Buseck, Peter R.

    2007-02-20

    We investigated the physical and chemical changes induced in soot aggregates exposed to laser radiation using a scanning mobility particle sizer, a transmission electron microscope, and a scanning transmission x-ray microscope to perform near-edge x-ray absorption fine structure spectroscopy. Laser-induced nanoparticle production was observed at fluences above 0.12 J/cm(2) at 532 nm and 0.22 J/cm(2) at 1064 nm. Our results indicate that new particle formation proceeds via (1) vaporization of small carbon clusters by thermal or photolytic mechanisms, followed by homogeneous nucleation, (2) heterogeneous nucleation of vaporized carbon clusters onto material ablated from primary particles, or (3) both processes.

  10. Study of Synchrotron Radiation Near-Edge X-Ray Absorption Fine-Structure of Amorphous Hydrogenated Carbon Films at Various Thicknesses

    Directory of Open Access Journals (Sweden)

    Sarayut Tunmee

    2015-01-01

    Full Text Available The compositions and bonding states of the amorphous hydrogenated carbon films at various thicknesses were evaluated via near-edge X-ray absorption fine-structure (NEXAFS and elastic recoil detection analysis combined with Rutherford backscattering spectrometry. The absolute carbon sp2 contents were determined to decrease to 65% from 73%, while the hydrogen contents increase from 26 to 33 at.% as the film thickness increases. In addition, as the film thickness increases, the π⁎ (C=C, σ⁎ (C–H, σ⁎ (C=C, and σ⁎ (C≡C bonding states were found to increase, whereas the π⁎ (C≡C and σ⁎ (C–C bonding states were observed to decrease in the NEXAFS spectra. Consequently, the film thickness is a key factor to evaluate the composition and bonding state of the films.

  11. A high-temperature in situ cell with a large solid angle for fluorescence X-ray absorption fine structure measurement.

    Science.gov (United States)

    Murata, Naoyoshi; Kobayashi, Makoto; Okada, Yukari; Suzuki, Takuya; Nitani, Hiroaki; Niwa, Yasuhiro; Abe, Hitoshi; Wada, Takahiro; Mukai, Shingo; Uehara, Hiromitsu; Ariga, Hiroko; Takakusagi, Satoru; Asakura, Kiyotaka

    2015-03-01

    We present the design and performance of a high-temperature in situ cell with a large solid angle for fluorescence X-ray absorption fine structure (XAFS) spectra. The cell has a large fluorescence XAFS window (116 mm(ϕ)) near the sample in the cell, realizing a large half-cone angle of 56°. We use a small heater (25 × 35 mm(2)) to heat the sample locally to 873 K. We measured a Pt-SnO2 thin layer on a Si substrate at reaction conditions having a high activity. In situ measurement enables the analysis of the difference XAFS spectra between before and during the reaction to reveal the structure change during the operation.

  12. Identification of isomers in the gas phase and as adsorbates by near-edge X-ray absorption fine structure spectroscopy: Cis- and trans-stilbene

    International Nuclear Information System (INIS)

    Püttner, Ralph; Schmidt-Weber, Philipp; Kampen, Thorsten; Kolczewski, Christine; Hermann, Klaus; Horn, Karsten

    2017-01-01

    Highlights: • NEXAFS spectra of the cis- and trans-isomer of stilbene reveal distinct differences by which the isomers can be distinguished. • DFT calculations using the transition potential approach assign specific transitions that are different in the two isomers. • On Si(100), these differences in NEXAFS are also observed, suggesting that their conformations survive in the bonding situation. • NEXAFS is thus shown to be a sensitive tool to distinguish isomers in adsorbed species. - Abstract: Near-edge x-ray absorption fine structure spectra of the cis- and trans-isomers of stilbene in the gas phase reveal clear differences, which are analyzed by results from density-functional theory calculations using the transition potential approach. The differences between the two species also occur in stilbene adsorbed on Si(100), opening the way towards studying structural changes in molecules in different surface environments, and configurational switching in organic molecules on surfaces in particular.

  13. Portable ultrahigh-vacuum sample storage system for polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Nishimura, Yusaku F.; Suzuki, Ryo; Beniya, Atsushi; Isomura, Noritake [Toyota Central R& D Labs., Inc., Yokomichi 41-1, Nagakute, Aichi 480-1192 (Japan); Uehara, Hiromitsu; Asakura, Kiyotaka; Takakusagi, Satoru [Catalysis Research Center, Hokkaido University, Kita 21-10, Sapporo, Hokkaido 001-0021 (Japan); Nimura, Tomoyuki [AVC Co., Ltd., Inada 1450-6, Hitachinaka, Ibaraki 312-0061 (Japan)

    2016-03-15

    A portable ultrahigh-vacuum sample storage system was designed and built to investigate the detailed geometric structures of mass-selected metal clusters on oxide substrates by polarization-dependent total-reflection fluorescence x-ray absorption fine structure spectroscopy (PTRF-XAFS). This ultrahigh-vacuum (UHV) sample storage system provides the handover of samples between two different sample manipulating systems. The sample storage system is adaptable for public transportation, facilitating experiments using air-sensitive samples in synchrotron radiation or other quantum beam facilities. The samples were transferred by the developed portable UHV transfer system via a public transportation at a distance over 400 km. The performance of the transfer system was demonstrated by a successful PTRF-XAFS study of Pt{sub 4} clusters deposited on a TiO{sub 2}(110) surface.

  14. X-ray absorption edges and E.X.A.F.S.: application to the study of electronic and atomic structures of titanium and vanadium carbides TiC(1-x) and VC(1-x)

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1980-09-01

    This text presents a systematic study of the X-ray absorption fine structures evolution, at the K edge of titanium, with vacancy concentration in TiC(1-x). The absorption edges are situated in the 50 eV following the coefficient discontinuity: from the evaluation of their general aspect, it is deduced that the positive charge of titanium atoms decreases when vacancy concentration increases in TiC(1-x). This allowed us to determine the best band structure calculation model. The interpretation of EXAFS spectra (modulation of the absorption coefficient until 1500 eV above the edge) gives indications about the local atomic structure. Here, the contraction of the average titanium-carbon interatomic distances compared to the distances between crystallographic sites is of the order of the experimental resolution 0.02 A for Ti C(0.8). The study of the damping of the spectra in terms of Debye-Waller factors gave an evaluation of the relative static atomic mean square displacements between first neighbours. Last, it has been established that the disordering of vacancies in the order-disorder transition of V 8 C 7 is an atomic scale phenomenon [fr

  15. EXAFS and RDF studies of Ge27S53I20 glass

    International Nuclear Information System (INIS)

    Nasu, H.; Myoren, H.; Makida, S.; Imura, T.; Osaka, Y.

    1988-01-01

    Detailed X-ray diffraction measurements and extended X-ray absorption fine structure (EXAFS) have been applied to Ge 23 S 57 I 20 glass as a typical chalcohalide glass and to GeS 2 glass for comparison, in order to investigate the structure of Ge-S-I glass system. From the derived curves against atomic distance, the formation of Ge-I bonds is evidenced in the glass structure. (author) 4 refs., 2 figs., 1 tab

  16. Extended X-ray absorption fine structure studies of impulsive-type hardening in the heavily Be-doped ZnSe ternaries

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Shabina; Singh, Pankaja [Barkatullah University, Bhopal (India); Mazher, Javed [Addis Ababa University, Addis Ababa (Ethiopia)

    2014-02-15

    Inherently soft zinc-selenides have been hardened through beryllium doping. High-quality stoichiometric ternaries of Be{sub x}Zn{sub 1-x}Se have been synthesized by using the Bridgeman technique. State-of-art X-ray absorption spectroscopy is performed by varying the concentration of the cationic dopant, Be, from 6% to 55% in the host ZnSe. Extended X-ray absorption fine structure analyses are carried out to study the next-neighbor and next nearest neighbor atomic positions, nature of the substitutional doping, extent of bond length homogeneity, the presence of involuntary contrast among path distances, and the crossover from a soft to a hard character of the ternary with increasing Be concentration. Our results indicate the presence of a non-regular impulsive hardening in the ternary with a disparity at the lower and the higher Be-doping levels, which are discussed vis-a-vis self-accommodation of substitutional dopants in the host lattice.

  17. X-ray absorption near-edge structure (XANES) spectroscopy

    NARCIS (Netherlands)

    Henderson, Grant S.; De Groot, Frank M F|info:eu-repo/dai/nl/08747610X; Moulton, Benjamin J A

    2014-01-01

    The previous Reviews in Mineralogy volume on spectroscopic methods (Vol. 18 Spectroscopic Methods in Mineralogy and Geology, Frank C. Hawthorne, ed. 1988), contained a single chapter on X-ray absorption spectroscopy which reviewed aspects of both EXAFS (Extended X-ray Absorption Fine Structure) and

  18. Line strengths, A-factors and absorption cross-sections for fine structure lines in multiplets and hyperfine structure components in lines in atomic spectrometry - a user's guide

    International Nuclear Information System (INIS)

    Axner, Ove; Gustafsson, Joergen; Omenetto, Nicolo; Winefordner, James D.

    2004-01-01

    This work summarizes and elucidates a number of fundamental concepts in atomic spectrometry regarding the 'strengths' of transitions between various energy levels and states in atoms. Although several of the expressions and rules for line strengths of transitions reported here can be found, in one way or another, in various books dealing with atomic structure, atomic spectrometry or quantum mechanics, the treatment in such books can be variously complex and difficult to follow for a non-experienced reader. In addition, detailed information about transition-specific 'strengths' of transitions used to be restricted to line strengths, whereas most experiments rather need transition-specific A-factors or transition-specific absorption cross-sections. This work therefore aims at pointing out the most important aspects of the concept of 'strengths' of transitions between various energy levels and states in atoms by presenting explicit expressions for not only relative and absolute line strengths but also oscillator strengths (f-values), A-factors and absorption cross-sections, for transitions between fine structure levels within a multiplet as well as for hyperfine structure components within a line (i.e. between hyperfine structure levels), including their mutual relations, in a consistent and user-friendly manner. The work also recapitulates the most important summation rules for line strengths, oscillator strengths (f-values), A-factors and absorption cross-sections for lines within multiplets and hyperfine structure components within lines. Many of the expressions are illustrated with clear and intelligible examples. For the sake of clarity and completeness, the work also comprises a short review of the nomenclature for atomic structure and transitions

  19. Origin of the magnetic transition at 100 K in ε-Fe2O3 nanoparticles studied by X-ray absorption fine structure spectroscopy.

    Science.gov (United States)

    Sanchez, Jesus Lopez; Muñoz-Noval, Alvaro; Castellano, Carlo; Serrano, Aida; Del Campo, Adolfo; Cabero, Mariona; Varela, Maria; Abuín, Manuel; de la Figuera, Juan; Marco, José F; Castro, German R; Rodriguez de la Fuente, Oscar; Carmona, Noemi

    2017-10-02

    We present a study of the correlation between the magnetic phase transition and the structural distortion observed at 100 K in ε-Fe2O3. For this purpose, we have designed a novel one-pot sol-gel method assisted by glycerol, which reproducibly provides samples with a nominal 100% concentration of ε-Fe2O3 nanoparticles embedded in a SiO2 matrix. The high crystallinity of the samples and the absence of other iron oxide polymorphs has allowed us to perform, for the first time, temperature-dependent X-ray absorption fine structure spectroscopy experiments, with the aim of investigating the origin of the magnetic quenching anomaly observed at 100 K. The deformation of the structure at a local scale, where the tetrahedral and octahedral Fe sites undergo distortions of different intensities, has been simulated to fulfill the long-range order. Our results point to a local structure distortion accompanied by the magnetism quenching through a magneto-elastic coupling. © 2017 IOP Publishing Ltd.

  20. Investigation of carbon-coated silicon oxide phase changes during charge/discharge by oxygen and lithium K-Edge X-ray absorption fine structure spectroscopy

    Science.gov (United States)

    Hirose, Takakazu; Morishita, Masanori; Yoshitake, Hideya; Sakai, Tetsuo

    2018-01-01

    To understand the phase changes associated with the charge/discharge mechanism during cycling, we evaluated the electronic states of oxygen and lithium atoms in the high-capacity anode material SiO-C using O and Li K-edge X-ray absorption fine structure (XAFS) spectroscopy. Multiple peaks observed in the O K-edge spectrum in the 532-548 eV range were likely related to Osbnd Si bonds. During the initial charge, when SiO-C occludes Li, a new peak related to Lisbnd O bonds appeared at 534 eV. During the initial discharge, this peak was maintained at potentials below 0.7 V vs. Li/Li+, but decreased at higher potentials, suggesting the presence of a phase change point near 0.7 V vs. Li/Li+. This change was also supported by the Li K-edge spectrum. An examination of the phase change after charge/discharge cycling at negative electrode termination potentials of 0.66 and 1.1 V vs. Li/Li+ confirmed that the phase structure was stable when cycling at potentials below the phase change point, but unstable at higher potentials. Thus, stable charge/discharge cycling can be achieved by designing batteries with negative electrode termination potentials that are lower than the potential at which the phase change occurs.

  1. Near-Edge X-ray Absorption Fine Structure Studies of Electrospun Poly(dimethylsiloxane)/Poly (methyl methacrylate)/Multiwall Carbon Nanotube Composites

    Science.gov (United States)

    Winter, A. Douglas; Larios, Eduardo; Alamgir, Faisal M.; Jaye, Cherno; Fischer, Daniel; Campo, Eva M.

    2014-01-01

    This work describes the near conduction band edge structure of electrospun mats of MWCNT-PDMS-PMMA by near edge X-Ray absorption fine structure (NEXAFS) spectroscopy. Effects of adding nanofillers of different sizes were addressed. Despite observed morphological variations and inhomogeneous carbon nanotube distribution, spun mats appeared homogeneous under NEXAFS analysis. Spectra revealed differences in emissions from glancing and normal spectra; which may evidence phase separation within the bulk of the micron-size fibers. Further, dichroic ratios show polymer chains did not align, even in the presence of nanofillers. Addition of nanofillers affected emissions in the C-H, C=O and C-C regimes, suggesting their involvement in interfacial matrix-carbon nanotube bonding. Spectral differences at glancing angles between pristine and composite mats suggest that geometric conformational configurations are taking place between polymeric chains and carbon nanotubes. These differences appear to be carbon nanotube-dimension dependent, and are promoted upon room temperature mixing and shear flow during electrospinning. CH-π bonding between polymer chains and graphitic walls, as well as H-bonds between impurities in the as-grown CNTs and polymer pendant groups are proposed bonding mechanisms promoting matrix conformation. PMID:24308286

  2. Ge and As x-ray absorption fine structure spectroscopic study of homopolar bonding, chemical order, and topology in Ge-As-S chalcogenide glasses

    International Nuclear Information System (INIS)

    Sen, S.; Ponader, C.W.; Aitken, B.G.

    2001-01-01

    The coordination environments of Ge and As atoms in Ge x As y S 1-x-y glasses with x:y=1:2, 1:1, and 2.5:1 and with wide-ranging S contents have been studied with Ge and As K-edge x-ray absorption fine structure spectroscopy. The coordination numbers of Ge and As atoms are found to be 4 and 3, respectively, in all glasses. The first coordination shells of Ge and As atoms in the stoichiometric and S-excess glasses consist of S atoms only, implying the preservation of chemical order at least over the length scale of the first coordination shell. As-As homopolar bonds are found to appear at low and intermediate levels of S deficiency, whereas Ge-Ge bonds are formed only in strongly S-deficient glasses indicating clustering of metal atoms and violation of chemical order in S-deficient glasses. The composition-dependent variation in chemical order in chalcogenide glasses has been hypothesized to result in topological changes in the intermediate-range structural units. The role of such topological transitions in controlling the structure-property relationships in chalcogenide glasses is discussed

  3. Extended x-ray absorption fine structure in Ga1-xMnxN/SiC films with high Mn content

    Science.gov (United States)

    Sancho-Juan, O.; Martínez-Criado, O.; Cantarero, A.; Garro, N.; Salomé, M.; Susini, J.; Olguín, D.; Dhar, S.; Ploog, K.

    2011-05-01

    In this study, the local atomic structure of highly homogeneous Ga1-xMnxN alloy films (0.03absorption fine structure measurements. From the curve fitting, the structural parameters corresponding to the first two atomic shells surrounding both Ga and Mn atoms are reported. In the Ga1-xMnxN films, grown by molecular beam epitaxy, the Mn atoms are in tetrahedral configuration, independent of the Mn concentration; that is, they are in a substitutional site, MnGa, in the wurtzite structure. A small increase in the interatomic distances has been found with increasing Mn content. The Debye-Waller factor does not show a significant trend as Mn content increases, which suggests the presence of short-range disorder in the GaN lattice. Ab initio calculations of the structural parameter for two different Mn concentrations are consistent with the experimental results.

  4. Near edge X-ray absorption fine structure study for optimization of hard diamond-like carbon film formation with Ar cluster ion beam

    CERN Document Server

    Kitagawa, T; Kanda, K; Shimizugawa, Y; Toyoda, N; Matsui, S; Yamada, I; Tsubakino, H; Matsuo, J

    2003-01-01

    Diamond-like carbon (DLC) film deposited using C sub 6 sub 0 vapor with simultaneous irradiation of an Ar cluster ion beam was characterized by a near edge X-ray absorption fine structure (NEXAFS), in order to optimize the hard DLC film deposition conditions. Contents of sp sup 2 orbitals in the films, which were estimated from NEXAFS spectra, are 30% lower than that of a conventional DLC film deposited by a RF plasma method. Those contents were obtained under the flux ratio of the C sub 6 sub 0 molecules to the Ar cluster ions to range from 1 to 20, at 5keV of Ar cluster ion acceleration energy. Average hardness of the films was 50 GPa under these flux ratios. This hardness was three times higher than that of a conventional DLC film. Furthermore, the lowest sp sup 2 content and above-mentioned high hardness were obtained at room temperature of the substrate when the depositions were performed in the range of the substrate temperature from room temperature to 250degC. (author)

  5. Study on the surface density of surface-active substances through total-reflection X-ray absorption fine structure measurement.

    Science.gov (United States)

    Kashimoto, Kaoru; Takata, Youichi; Matsuda, Takashi; Ikeda, Norihiro; Matsubara, Hiroki; Takiue, Takanori; Aratono, Makoto; Tanida, Hajime; Watanabe, Iwao

    2006-09-26

    The total-reflection X-ray absorption fine structure (XAFS) method previously employed for the adsorption of dodecyltrimethylammonium bromide (DTAB) at the air/water interface was applied to that in the presence of NaBr. The surface concentration of the bromide ions Gamma(X)(B) of DTAB and NaBr was evaluated by using the Br K-edge absorption jump values of the total-reflection XAFS spectra and was compared to the corresponding value Gamma(H)(B) estimated from the dependence of surface tension on the bulk concentrations of DTAB m(1) and NaBr m(2). The Gamma(X)(B) values trace almost perfectly the Gamma(X)(B) versus m(1) curve up to a concentration near the critical micelle concentration (cmc) and deviate gradually above the concentration. This behavior is basically similar to that of the single DTAB system and ensures that the XAFS method is also applicable to the DTAB system, even in the presence of NaBr. In addition, this method was extended to the single nonionic amphiphile with covalently bonded bromine, and the surface concentrations of 6-bromo-1-hexanol (BrC6OH), Gamma(X)(1) and Gamma(H)(B), were evaluated and compared with each other. It was found that the Gamma(X)(1) value almost perfectly traces the Gamma(H)(1) versus m(1) curve, even at high surface concentrations. The excellent coincidence confirmed that the total-reflection XAFS method can be applied to the nonionic amphiphile system as well as a cationic surfactant with or without an added salt system. Finally, the difference between the Gamma(X)(B) and Gamma(H)(B) values observed in the DTAB with and without an added salt system is briefly described.

  6. The pH dependence of Am(III) complexation with acetate: an EXAFS study.

    Science.gov (United States)

    Fröhlich, Daniel R; Skerencak-Frech, Andrej; Bauer, Nicole; Rossberg, André; Panak, Petra J

    2015-01-01

    The complexation of acetate with Am(III) is studied as a function of the pH (1-6) by extended X-ray absorption fine-structure (EXAFS) spectroscopy. The molecular structure of the Am(III)-acetate complexes (coordination numbers, oxygen and carbon distances) is determined from the raw k(3)-weighted Am LIII-edge EXAFS spectra. The results show a continuous shift of Am(III) speciation with increasing pH value towards the complexed species. Furthermore, it is verified that acetate coordinates in a bidentate coordination mode to Am(III) (Am-C distance: 2.82 ± 0.03 Å). The EXAFS data are analyzed by iterative transformation factor analysis to further verify the chemical speciation, which is calculated on the basis of thermodynamic constants, and the used structural model. The experimental results are in very good agreement with the thermodynamic modelling.

  7. Speciation and localization of Zn in the hyperaccumulator Sedum alfredii by extended X-ray absorption fine structure and micro-X-ray fluorescence.

    Science.gov (United States)

    Lu, Lingli; Liao, Xingcheng; Labavitch, John; Yang, Xiaoe; Nelson, Erik; Du, Yonghua; Brown, Patrick H; Tian, Shengke

    2014-11-01

    Differences in metal homeostasis among related plant species can give important information of metal hyperaccumulation mechanisms. Speciation and distribution of Zn were investigated in a hyperaccumulating population of Sedum alfredii by using extended X-ray absorption fine structure and micro-synchrotron X-ray fluorescence (μ-XRF), respectively. The hyperaccumulator uses complexation with oxygen donor ligands for Zn storage in leaves and stems, and variations in the Zn speciation was noted in different tissues. The dominant chemical form of Zn in leaves was most probably a complex with malate, the most prevalent organic acid in S. alfredii leaves. In stems, Zn was mainly associated with malate and cell walls, while Zn-citrate and Zn-cell wall complexes dominated in the roots. Two-dimensional μ-XRF images revealed age-dependent differences in Zn localization in S. alfredii stems and leaves. In old leaves of S. alfredii, Zn was high in the midrib, margin regions and the petiole, whereas distribution of Zn was essentially uniform in young leaves. Zinc was preferentially sequestered by cells near vascular bundles in young stems, but was highly localized to vascular bundles and the outer cortex layer of old stems. The results suggest that tissue- and age-dependent variations of Zn speciation and distribution occurred in the hyperaccumulator S. alfredii, with most of the Zn complexed with malate in the leaves, but a shift to cell wall- and citric acid-Zn complexes during transportation and storage in stems and roots. This implies that biotransformation in Zn complexation occurred during transportation and storage processes in the plants of S. alfredii. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  8. Study of local disorder in LiMn(Cr,Ni)O2 compounds by extended X-ray absorption fine structure measurements

    Science.gov (United States)

    Maugeri, L.; Iadecola, A.; Simonelli, L.; Chen, G.; Wadati, H.; Mizokawa, T.; Saini, N. L.

    2013-11-01

    We have studied local structure of LiMnO2, LiMn0.65Cr0.35O2 and LiMn0.5Ni0.5O2 compounds by Mn K-edge extended X-ray absorption fine structure measurements. The local structure of LiMnO2 is found to be consistent with Jahn-Teller distorted MnO6 octahedra characterized by two different Mn-O bond distances. The Jahn-Teller distortions are suppressed in the Cr and Ni substituted compounds, resulting a single Mn-O distance. However, the Cr atoms tend to occupy a site at a longer distance from Mn in the host lattice (Mn-Cr distance is longer than Mn-Mn distance), unlike the Ni atoms which prefer a site closer to the Mn atoms (Mn-Ni distance is shorter than Mn-Mn distance). Incidentally, Mn-O and Mn-Mn bonds are substantially stiffer in the Cr and Ni substituted compounds. In addition, the static atomic disorder is confined around Cr atoms in the LiMn0.65Cr0.35O2, that is different from the case of LiMn0.5Ni0.5O2 in which larger static disorder appears in the proximity of the Mn atoms. The results suggest that the differences in the local structure of different compounds should be the likely reason for their differing battery characteristics.

  9. On the method of calibration of the energy dispersive EXAFS ...

    Indian Academy of Sciences (India)

    tion fine structure (EXAFS) spectroscopy has emerged out to be one of the powerful structure determination techniques that can be applied to any type of material, e.g., amorphous solids, liq- uids, solutions, gases, polymers and surfaces. EXAFS is an important probe for materials, since knowledge of local atomic structure, ...

  10. The Fine Structure Constant

    Indian Academy of Sciences (India)

    IAS Admin

    The article discusses the importance of the fine structure constant in quantum mechanics, along with the brief history of how it emerged. Al- though Sommerfelds idea of elliptical orbits has been replaced by wave mechanics, the fine struc- ture constant he introduced has remained as an important parameter in the field of ...

  11. Characterization of Functionalized Self-Assembled Monolayers and Surface-Attached Interlocking Molecules Using Near-Edge X-ray Absorption Fine Structure Spectroscopy

    International Nuclear Information System (INIS)

    Willey, T; Willey, T

    2004-01-01

    Quantitative knowledge of the fundamental structure and substrate binding, as well as the direct measurement of conformational changes, are essential to the development of self-assembled monolayers (SAMs) and surface-attached interlocking molecules, catenanes and rotaxanes. These monolayers are vital to development of nano-mechanical, molecular electronic, and biological/chemical sensor applications. This dissertation investigates properties of functionalized SAMs in sulfur-gold based adsorbed molecular monolayers using quantitative spectroscopic techniques including near-edge x-ray absorption fine structure spectroscopy (NEXAFS) and x-ray photoelectron spectroscopy (XPS). The stability of the gold-thiolate interface is addressed. A simple model SAM consisting of dodecanethiol adsorbed on Au(111) degrades significantly in less than 24 hours under ambient laboratory air. S 2p and O 1s XPS show the gold-bound thiolates oxidize to sulfinates and sulfonates. A reduction of organic material on the surface and a decrease in order are observed as the layer degrades. The effect of the carboxyl vs. carboxylate functionalization on SAM structure is investigated. Carboxyl-terminated layers consisting of long alkyl-chain thiols vs. thioctic acid with short, sterically separated, alkyl groups are compared and contrasted. NEXAFS shows a conformational change, or chemical switchability, with carboxyl groups tilted over and carboxylate endgroups more upright. Surface-attached loops and simple surface-attached rotaxanes are quantitatively characterized, and preparation conditions that lead to desired films are outlined. A dithiol is often insufficient to form a molecular species bound at each end to the substrate, while a structurally related disulfide-containing polymer yields surface-attached loops. Similarly, spectroscopic techniques show the successful production of a simple, surface-attached rotaxane that requires a ''molecular riveting'' step to hold the mechanically attached

  12. The effect of zirconia content on the structure of zirconia-silica xerogels as determined by x-ray and neutron diffraction and Zr K-edge EXAFS and XANES

    OpenAIRE

    Mountjoy, Gavin; Anderson, Ruth; Newport, Robert J.; Smith, Mark E.

    2000-01-01

    We present combined x-ray and neutron diffraction, and extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge structure (XANES) results on a single set of (ZrO2)(x)(SiO2)(1-x) xerogel samples. In these samples, there is improved homogeneity of Zr compared to our previous study, due to greater dilution of the precursor Zr n-propoxide in propan-1-ol. Structural parameters obtained from model fitting of the diffraction and EXAFS data are compared with those in reference ...

  13. Characterization of the Cu(Π) and Zn(Π) binding to the Amyloid-β short peptides by both the Extended X-ray Absorption Fine Structure and the Synchrotron Radiation Circular Dichroism spectroscopy

    Science.gov (United States)

    Zhang, Zhiyin; Sun, Shuaishuai; Xu, Jianhua; Zhang, Jing; Huang, Yan; Zhang, Bingbing; Tao, Ye

    2013-04-01

    Alzheimer's disease (AD) is a progressive and devastating neurodegenerative pathology, clinically characterized by dementia, cognitive impairment, personality disorders and memory loss. It is generally accepted that, misfolding of Aβ peptides is the key element in pathogenesis and the secondary structure of Aβ can be changed to major β-strand with reasons unknown yet. Many studies have shown that the misfolding may be linked with some biometals, mainly copper and zinc ions. To characterize interactions of Aβ and metal ions, we utilized both the extended X-ray fine structure spectroscopy (EXAFS) and the synchrotron radiation circular dichroism spectroscopy (SRCD). Aβ (13-22), Aβ (13-21), Aβ (E22G) and Aβ(HH-AA) were selected to study the mechanism of copper and zinc binding to Aβ. We found that Cu interaction with H13 and H14 residues led to the disappearance of the PPΠ, while the Cu binding E22 residue caused a remarkable conformation change to β-sheet enrichment. The Zn ion, in contrast, made little effect on the conformation and it coordinated to only one histidine (H residue) or not.

  14. New insight on the local structure of Cu2+ ion in the solution of CuBr2 by EXAFS studies

    International Nuclear Information System (INIS)

    Yu Meijuan; Chu Wangsheng; Chen Xing; Wu Ziyu

    2009-01-01

    CuBr 2 solutions at different concentrations were studied by extended X-ray absorption fine structure (EXAFS) at the Cu K edge. In the saturated solution Cu 2+ ions have chemical bonds with 3.0 oxygen atoms and 0.9 Br ion at about 1.96 A and 2.42 A, respectively. It indicates that the CuBr 4 -2 configuration exists with a ratio of 25% under this condition. In the dilute solutions no evidence of Br ions contributions in the first shell around Cu 2+ ions occurs. The almost identical X-ray absorption near edge structure (XANES) and EXAFS characters address similar local environments around Cu 2+ in agreement with results of the EXAFS fit taking into account only the contributions of Cu-O bonds.

  15. New insight on the local structure of Cu{sup 2+} ion in the solution of CuBr{sub 2} by EXAFS studies

    Energy Technology Data Exchange (ETDEWEB)

    Yu Meijuan; Chu Wangsheng; Chen Xing; Wu Ziyu, E-mail: wuzy@ustc.edu.c [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049 (China)

    2009-11-15

    CuBr{sub 2} solutions at different concentrations were studied by extended X-ray absorption fine structure (EXAFS) at the Cu K edge. In the saturated solution Cu{sup 2+} ions have chemical bonds with 3.0 oxygen atoms and 0.9 Br ion at about 1.96 A and 2.42 A, respectively. It indicates that the CuBr{sub 4}{sup -2} configuration exists with a ratio of 25% under this condition. In the dilute solutions no evidence of Br ions contributions in the first shell around Cu{sup 2+} ions occurs. The almost identical X-ray absorption near edge structure (XANES) and EXAFS characters address similar local environments around Cu{sup 2+} in agreement with results of the EXAFS fit taking into account only the contributions of Cu-O bonds.

  16. EXAFS study influence of pH on microscopic structure of zinc

    International Nuclear Information System (INIS)

    Li Xianliang; Chongqing Entry-Exit Inspection and Quarantine Bureau, Chongqing; Pan Gang; Zhu Mengqiang; Chen Hao; Hu Tiandou; Wu Ziyu; Xie Yaning; Du Yonghua

    2004-01-01

    Microscopic local structures of Zn(II) were studied using extended X-ray absorption fine structure (EXAFS) spectroscopy under different pH conditions. When pH 2+ (aq) was coordinated with six water molecules and the average Zn-O distance was measured to be 2.08 Angstrom, which indicated that hydrated Zn 2+ (aq) ions were in octahedral geometry under acid conditions. Under alkaline conditions, Zn 2+ (aq) was coordinated with four water molecules and the average Zn-O distance was measured to be 1.96 Angstrom, which indicated that hydrated Zn 2+ (aq) ions were in tetrahedral geometry. EXAFS results provided detailed information on the form and microscopic structure of hydrated Zn(II) ions under different pH conditions, which were fundamental for understanding the reactivity of Zn(II) in solutions and at particle-water interfaces. (authors)

  17. Structural evolution of Ga-Ge-Te glasses by combined EXAFS and XPS analysis

    Energy Technology Data Exchange (ETDEWEB)

    Golovchak, R. [Department of Physics and Astronomy, Austin Peay State University, Clarksville, Tennessee 37044 (United States); Materials Science and Engineering Department, Lehigh University, 5 East Packer Avenue, Bethlehem, Pennsylvania 18015 (United States); Calvez, L.; Bureau, B. [Laboratoire des Verres et Ceramiques, Institut des Sciences Chimiques de Rennes, UMR-CNRS6226, University of Rennes 1 (France); Jain, H. [Materials Science and Engineering Department, Lehigh University, 5 East Packer Avenue, Bethlehem, Pennsylvania 18015 (United States)

    2013-08-07

    The structural evolution of Ga{sub x}Ge{sub y}Te{sub 100−x−y} glasses in the vicinity of GeTe{sub 4}-GaTe{sub 3} pseudo-binary tie-line is determined with high-resolution X-ray photoelectron (XPS) and extended X-ray absorption fine structure (EXAFS) spectroscopies. The analysis of XPS data is complicated by similar electronegativity values for the constituent chemical elements, but then the interpretation is facilitated by information from complementary EXAFS analysis of the structure around each element independently. The results show 4/4/2 coordination for Ga/Ge/Te atoms and absence of Ga(Ge)-Ge(Ga) bonds or extended Te clusters in significant concentrations within the whole range of studied composition. The observed structural features correlate well with the measured basic physical properties of Ga-containing germanium telluride glasses.

  18. Communication: Coordination structure of bromide ions associated with hexyltrimethylammonium cations at liquid/liquid interfaces under potentiostatic control as studied by total-reflection X-ray absorption fine structure.

    Science.gov (United States)

    Nagatani, Hirohisa; Harada, Makoto; Tanida, Hajime; Sakae, Hiroki; Imura, Hisanori

    2014-03-14

    Total-reflection X-ray absorption fine structure (TR-XAFS) technique was applied for the first time to an interface between two immiscible electrolyte solutions under potentiostatic control. The hydration structure of bromide ions was investigated at polarized 2-octanone/water interfaces. TR-XAFS spectra at Br K-edge measured in the presence of hexyltrimethylammonium bromide (C6TAB) were slightly modified depending on the Galvani potential difference (Δ(o)(w)φ). The extended X-ray absorption fine structure analysis exposed hydration structure changes of bromide ions at the polarized interface. The coordination structure of bromide ions at the interface could be analyzed as compared with bromide ions dissolved in aqueous solution and Br(-)-exchanged resin having quaternary ammonium groups. The results indicated that bromide ions were associated with C6TA(+) at the polarized interface. The relative contribution of ion association form of bromide ions with quaternary ammonium groups was enhanced at a potential close to the ion transfer of C6TA(+), where the interfacial concentration of C6TA(+) is increased as a function of Δ(o)(w)φ.

  19. MULTI ELEMENT SI SENSOR WITH READOUT ASIC FOR EXAFS SPECTROSCOPY.

    Energy Technology Data Exchange (ETDEWEB)

    DE GERONIMO,G.; O CONNOR,P.; BEUTTENMULLER,R.H.; LI,Z.; KUCZEWSKI,A.J.; SIDDONS,D.P.

    2002-09-09

    Extended X-ray Absorption Fine Structure (EXAFS) experiments impose stringent requirements on a detection system, due to the need for processing ionizing events at a high rate, typically above of 10Mcps/cm{sup 2}, and with a high resolution, typically better than 300eV. The detection system here presented is being developed targeting these stringent requirements. It is the result of a cooperation between the Instrumentation Division and the National Synchrotron Light Source (NSLS) of the Brookhaven National Laboratory (BNL). The system is composed of a multi-element Si sensor with dedicated per pixel electronics. The combination of high rate, high resolution and moderate complexity makes this system attractive when compared to other multi-element solutions. In sections 2, 3 and 4 the sensor, the interconnect and the electronics are briefly described. Section 5 reports on the first experimental results.

  20. SAXS and EXAFS studies of ion beam synthesized Au nanocrystals

    International Nuclear Information System (INIS)

    Kluth, P.; Johannessen, B.; Cookson, D.J.; Foran, G.J.; Ridgway, M.C.

    2006-01-01

    We have used small-angle X-ray scattering (SAXS) and extended X-ray absorption fine structure (EXAFS) spectroscopy to investigate Au nanocrystals (NCs) fabricated by high dose ion implantation into thin SiO 2 and subsequent annealing at different temperatures. Size distributions were determined from SAXS and structural parameters were extracted from EXAFS measurements, the latter analyzed as a function of NC size. Increasing implantation dose leads to an increasing average NC size and broadening of the size distribution. A significant size-dependent bond length contraction with respect to bulk material was observed. For samples annealed at 1100 deg. C our analysis suggests that an increased structural disorder is predominantly located at the NC surface. Post-implantation annealing at temperatures of 500 deg. C and 800 deg. C for 1 h in forming gas had no detectable influence on the NC size distribution, however, a significant influence on the structural parameters, in particular increased disorder was observed. This is potentially the result of stress induced disorder due to the different thermal expansion of the NC and matrix materials

  1. Near- and Extended-Edge X-Ray-Absorption Fine-Structure Spectroscopy Using Ultrafast Coherent High-Order Harmonic Supercontinua

    Science.gov (United States)

    Popmintchev, Dimitar; Galloway, Benjamin R.; Chen, Ming-Chang; Dollar, Franklin; Mancuso, Christopher A.; Hankla, Amelia; Miaja-Avila, Luis; O'Neil, Galen; Shaw, Justin M.; Fan, Guangyu; Ališauskas, Skirmantas; Andriukaitis, Giedrius; Balčiunas, Tadas; Mücke, Oliver D.; Pugzlys, Audrius; Baltuška, Andrius; Kapteyn, Henry C.; Popmintchev, Tenio; Murnane, Margaret M.

    2018-03-01

    Recent advances in high-order harmonic generation have made it possible to use a tabletop-scale setup to produce spatially and temporally coherent beams of light with bandwidth spanning 12 octaves, from the ultraviolet up to x-ray photon energies >1.6 keV . Here we demonstrate the use of this light for x-ray-absorption spectroscopy at the K - and L -absorption edges of solids at photon energies near 1 keV. We also report x-ray-absorption spectroscopy in the water window spectral region (284-543 eV) using a high flux high-order harmonic generation x-ray supercontinuum with 109 photons/s in 1% bandwidth, 3 orders of magnitude larger than has previously been possible using tabletop sources. Since this x-ray radiation emerges as a single attosecond-to-femtosecond pulse with peak brightness exceeding 1026 photons/s /mrad2/mm2/1 % bandwidth, these novel coherent x-ray sources are ideal for probing the fastest molecular and materials processes on femtosecond-to-attosecond time scales and picometer length scales.

  2. Combined EXAFS Spectroscopic and Quantum Chemical Study on the Complex Formation of Am(III) with Formate.

    Science.gov (United States)

    Fröhlich, Daniel R; Kremleva, Alena; Rossberg, André; Skerencak-Frech, Andrej; Koke, Carsten; Krüger, Sven; Rösch, Notker; Panak, Petra J

    2017-06-19

    The complexation of Am(III) with formate in aqueous solution is studied as a function of the pH value using a combination of extended X-ray absorption fine structure (EXAFS) spectroscopy, iterative transformation factor analysis (ITFA), and quantum chemical calculations. The Am L III -edge EXAFS spectra are analyzed to determine the molecular structure (coordination numbers; Am-O and Am-C distances) of the formed Am(III)-formate species and to track the shift of the Am(III) speciation with increasing pH. The experimental data are compared to predictions from density functional calculations. The results indicate that formate binds to Am(III) in a monodentate fashion, in agreement with crystal structures of lanthanide formates. Furthermore, the investigations are complemented by thermodynamic speciation calculations to verify further the results obtained.

  3. Local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys investigated by EXAFS method

    International Nuclear Information System (INIS)

    Antonowicz, J.; Pietnoczka, A.; Zalewski, W.; Bacewicz, R.; Stoica, M.; Georgarakis, K.; Yavari, A.R.

    2011-01-01

    Research highlights: → Coordination number, interatomic distances and mean square atomic displacement in Zr-Cu and Zr-Cu-Al glasses. → Icosahedral symmetry in local atomic structure. → Deviation from random mixing behavior resulting from Al addition. - Abstract: We report on extended X-ray absorption fine structure (EXAFS) study of rapidly quenched Zr-Cu and Zr-Cu-Al glassy alloys. The local atomic order around Zr and Cu atoms was investigated. From the EXAFS data fitting the values of coordination number, interatomic distances and mean square atomic displacement were obtained for wide range of compositions. It was found that icosahedral symmetry rather than that of corresponding crystalline analogs dominates in the local atomic structure of Zr-Cu and Zr-Cu-Al amorphous alloys. Judging from bonding preferences we conclude that addition of Al as an alloying element results in considerable deviation from random mixing behavior observed in binary Zr-Cu alloys.

  4. Photoinduced charge transfer in a transition metal complex investigated by time-resolved X-ray absorption fine structure spectroscopy. Setup and experiment

    International Nuclear Information System (INIS)

    Goeries, Dennis

    2015-02-01

    In the framework of this thesis the development of a time-resolved X-ray absorption spectroscopy experiment and its application to fac-Ir(ppy) 3 is described. Such experiments require a very stable setup in terms of spatial and temporal accuracy. Therefore, the stability properties of the present installation were investigated in detail and continuously improved, in particular the synchronization of the ultrashort pulse laser system to the storage ring as well as the spatial stability of both X-ray and laser beam. Experiments utilizing the laser pump and X-ray probe configuration were applied on the green phosphorescence emitter complex fac-Ir(ppy) 3 dissolved in dimethyl sulfoxide. Structural and electronic changes were triggered by photoexcitation of the metal-to-ligand charge transfer band with ultrashort laser pulses at a wavelength of 343 nm. The excited triplet state spectrum was extracted from the measured pump-probe X-ray absorption spectrum using an ionic approximation. The results con rm the anticipated metal-to-ligand charge transfer as shown by an ionization potential shift of the iridium atom. The symmetry of the complex was found to be pseudo-octahedral. This allowed the first experimental determination of the bond length of fac-Ir(ppy) 3 in an octahedral approximation and revealed a decrease of bond length of the first coordination shell in the triplet state. The first and second-order decay kinetics of the triplet state were investigated in a combination of X-ray and laser based experiments and revealed self-quenching as well as triplet-triplet annihilation rate constants.

  5. EXAFS investigations of the interaction of humic acids and model compounds with uranyl cations in solid complexes

    International Nuclear Information System (INIS)

    Denecke, M.A.; Reich, T.; Pompe, S.; Bubner, M.; Heise, K.H.; Nitsche, H.; Allen, P.G.; Bucher, J.J.; Edelstein, N.M.; Shuh, D.K.; Czerwinski, K.R.

    1998-01-01

    Natural humic acids, HA's, having varying amounts of their proton exchange capacities, PEC's, loaded with uranyl ions and synthetic HA loaded with 14% PEC were prepared either from solution or from suspension. The interaction of uranium with the humates was studied using U L III -edge extended X-ray absorption fine structure, EXAFS, and infrared, IR, spectroscopy. IR results indicate a direct complexation of the uranyl ions onto the HA's. The spectral positions of the asymmetric and symmetric IR stretching frequencies for COO - in the complex suggest monodentate coordination of HA carboxylate groups onto the uranyl cation. In all samples studied, the EXAFS analysis yielded axial uranium-oxygen distances of 1.77-1.78 A and five oxygen atoms in the plane equatorial to the uranyl unit at distances of 2.37-2.39 A. The bond distances determined from the EXAFS are the same, within the experimental error, for both synthetic and two different natural uranyl humates, for samples with large loadings and samples with relatively low uranyl loadings, as well as for dry and wet paste samples. Comparison of the EXAFS from the uranyl humates with that observed for two crystalline uranyl carboxylate complexes indicates that the HA carboxylate groups act predominantly as monodentate ligands when bound to the uranyl unit. Additional, neutral ligands must also be coordinated to the uranyl ion in order to satisfy the uranyl cation coordination number determined as 5 ± 0.7. (orig.)

  6. Investigation of gamma radiation induced changes in local structure of borosilicate glass by TDPAC and EXAFS

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashwani, E-mail: kashwani@barc.gov.in [Bhabha Atomic Research Centre, Radioanalytical Chemistry Division (India); Nayak, C.; Rajput, P. [Bhabha Atomic Research Centre, Atomic and Molecular Physics Division (India); Mishra, R. K. [Bhabha Atomic Research Centre, Waste Management Division (India); Bhattacharyya, D. [Bhabha Atomic Research Centre, Atomic and Molecular Physics Division (India); Kaushik, C. P. [Bhabha Atomic Research Centre, Waste Management Division (India); Tomar, B. S. [Bhabha Atomic Research Centre, Radioanalytical Chemistry Division (India)

    2016-12-15

    Gamma radiation induced changes in local structure around the probe atom (Hafnium) were investigated in sodium barium borosilicate (NBS) glass, used for immobilization of high level liquid waste generated from the reprocessing plant at Trombay, Mumbai. The (NBS) glass was doped with {sup 181}Hf as a probe for time differential perturbed angular correlation (TDPAC) spectroscopy studies, while for studies using extended X-ray absorption fine structure (EXAFS) spectroscopy, the same was doped with 0.5 and 2 % (mole %) hafnium oxide. The irradiated as well as un-irradiated glass samples were studied by TDPAC and EXAFS techniques to obtain information about the changes (if any) around the probe atom due to gamma irradiation. TDPAC spectra of unirradiated and irradiated glasses were similar and reminescent of amorphous materials, indicating negligible effect of gamma radiation on the microstructure around Hafnium probe atom, though the quaqdrupole interaction frequency (ω{sub Q}) and asymmetry parameter (η) did show a marginal decrease in the irradiated glass compared to that in the unirradiated glass. EXAFS measurements showed a slight decrease in the Hf-O bond distance upon gamma irradiation of Hf doped NBS glass indicating densification of the glass matrix, while the cordination number around hafnium remains unchanged.

  7. Chemical kinetics of Cs species in an alkali-activated municipal solid waste incineration fly ash and pyrophyllite-based system using Cs K-edge in situ X-ray absorption fine structure analysis

    Science.gov (United States)

    Shiota, Kenji; Nakamura, Takafumi; Takaoka, Masaki; Nitta, Kiyofumi; Oshita, Kazuyuki; Fujimori, Takashi; Ina, Toshiaki

    2017-05-01

    We conducted in situ X-ray absorption fine structure (in situ XAFS) analysis at the Cs K-edge to investigate the chemical kinetics of Cs species during reaction in an alkali-activated municipal solid waste incineration fly ash (MSWIFA) and pyrophyllite-based system. Understanding the kinetics of Cs is essential to the design of appropriate conditions for Cs stabilization. In situ XAFS analysis of four pastes, prepared from NaOHaq, sodium silicate solution, pyrophyllite, and MSWIFA with the addition of CsCl, was conducted in custom-built reaction cells at four curing temperatures (room temperature, 60 °C, 80 °C, 105 °C) for approximately 34 h. The results indicated that the change in Cs species during reaction at room temperature was small, while changes at higher temperatures were faster and more extreme, with the fastest conversion to pollucite occurring at 105 °C. Further analysis using a leaching test and a simple reaction model for Cs species during reaction showed that the pollucite formation rate was dependent on the curing temperature and had a significant negative correlation with Cs leaching. The activation energy of pollucite formation was estimated to be 31.5 kJ/mol. These results revealed that an important change in the chemical state of Cs occurs during reaction in the system.

  8. EXAFS and XANES analysis of oxides at the nanoscale

    Directory of Open Access Journals (Sweden)

    Alexei Kuzmin

    2014-11-01

    Full Text Available Worldwide research activity at the nanoscale is triggering the appearance of new, and frequently surprising, materials properties in which the increasing importance of surface and interface effects plays a fundamental role. This opens further possibilities in the development of new multifunctional materials with tuned physical properties that do not arise together at the bulk scale. Unfortunately, the standard methods currently available for solving the atomic structure of bulk crystals fail for nanomaterials due to nanoscale effects (very small crystallite sizes, large surface-to-volume ratio, near-surface relaxation, local lattice distortions etc.. As a consequence, a critical reexamination of the available local-structure characterization methods is needed. This work discusses the real possibilities and limits of X-ray absorption spectroscopy (XAS analysis at the nanoscale. To this end, the present state of the art for the interpretation of extended X-ray absorption fine structure (EXAFS is described, including an advanced approach based on the use of classical molecular dynamics and its application to nickel oxide nanoparticles. The limits and possibilities of X-ray absorption near-edge spectroscopy (XANES to determine several effects associated with the nanocrystalline nature of materials are discussed in connection with the development of ZnO-based dilute magnetic semiconductors (DMSs and iron oxide nanoparticles.

  9. THE STATE OF MANGANESE IN THE PHOTOSYNTHETIC APPARATUS. I. EXAFS STUDIES ON CHLOROPLASTS AND di-u-oxo BRIDGED di-MANGANESE MODEL COMPOUNDS

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, J. A.; Robertson, A. S.; Smith, J. P.; Thompson, A. C.; Thompson, A. C.; Klein, M. P.

    1980-11-01

    Extended X-ray Absorption Fine Structure (EXAFS) studies on the manganese contained in spinach chloroplasts and on certain di-u-oxo bridged manganese dimers of the form (X{sub 2}Mn)O{sub 2}(MnX{sub 2} (X=2,2'-bypyridine and 1,10-phenanthroline) are reported. From these studies, the manganese associated with photosynthetic oxygen evolution is suggested to occur as a bridged transition metal dimer with most likely another manganese. Extensive details on the analysis are included.

  10. Observations of substorm fine structure

    Directory of Open Access Journals (Sweden)

    L. L. Lazutin

    1998-07-01

    Full Text Available Particle and magnetic field measurements on the CRRES satellite were used, together with geosynchronous satellites and ground-based observations, to investigate the fine structure of a magnetospheric substorm on February 9, 1991. Using the variations in the electron fluxes, the substorm activity was divided into several intensifications lasting about 3–15 minutes each. The two main features of the data were: (1 the intensifications showed internal fine structure in the time scale of about 2 minutes or less. We call these shorter periods activations. Energetic electrons and protons at the closest geosynchronous spacecraft (1990 095 were found to have comparable activation structure. (2 The energetic (>69 keV proton injections were delayed with respect to electron injections, and actually coincided in time with the end of the intensifications and partial returns to locally more stretched field line configuration. We propose that the energetic protons could be able to control the dynamics of the system locally be quenching the ongoing intensification and possibly preparing the final large-scale poleward movement of the activity. It was also shown that these protons originated from the same intensification as the preceeding electrons. Therefore, the substorm instability responsible for the intensifications could introduce a negative feedback loop into the system, creating the observed fine structure with the intensification time scales.Key words. Magnetospheric Physics (Storms and substorms.

  11. Characterization and quantification of Sm(III)/ and Cm(III)/clay mineral outer-sphere species by TRLFS in D2O and EXAFS studies.

    Science.gov (United States)

    Hartmann, Eva; Brendebach, Boris; Polly, Robert; Geckeis, Horst; Stumpf, Thorsten

    2011-01-15

    In order to assess the long-term safety of deep radioactive waste repositories, a precise characterization of the different sorption processes on a molecular basis and the exact definition of geochemical boundary conditions for their relevance are of immense importance. Through sorption on various minerals the migration of radionuclides will be hindered and their retention will be ensured. Using time-resolved laser fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS) spectroscopy, it was possible to identify outer-sphere sorbed trivalent lanthanides and actinides onto different montmorillonites and illite. Furthermore, the quantification of Cm(III)/clay outer-sphere sorption in D(2)O at different ionic strengths was shown. The results were confirmed by ion exchange model calculations. Finally, the structural parameters of a Sm(III)/clay outer-sphere complex were obtained by EXAFS measurements. Copyright © 2010 Elsevier Inc. All rights reserved.

  12. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

    Science.gov (United States)

    Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

    2016-05-04

    The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

  13. Characterizing Ni(II) hydration in aqueous solution using DFT and EXAFS.

    Science.gov (United States)

    Liu, H Y; Fang, C H; Fang, Y; Zhou, Y Q; Ge, H W; Zhu, F Y; Sun, P C; Miao, J T

    2016-01-01

    In the present work, a detailed investigation of Ni(II) hydration in water solutions was carried out using density functional theory (DFT) and extended X-ray absorption fine structure (EXAFS) spectroscopy. The hydrated characteristics of [Ni(H2O)n](2+) clusters, such as energy parameters, atomic charge distributions, and bond parameters, were explored using DFT with Becke's three-parameter exchange potential and the Lee-Yang-Parr correlation functional (B3LYP). DFT calculations indicated that the preferred structure of the first hydration shell of Ni(II) generally has a coordination number of six and is almost unaffected by the water molecules in the outer solvation shell, whereas the structure of the second solvation shell varies as the hydration proceeds. EXAFS measurements are reported for aqueous NiSO4 and Ni(NO3)2 solutions and the Ni(NO3)2·6H2O crystal. Analysis of the EXAFS spectra of these three systems using a multiparameter fitting procedure showed that, in each case, the first coordination shell consists of six water molecules with a Ni-O coordination distance of 2.04 Å, and that there is no Ni-S or Ni-N coordination in the first shell. There was no evidence of outer-shell SO4(2-) or NO3(-) ions substituting inner-sphere water molecules in NiSO4 and Ni(NO3)2. The characteristics of Ni(II) hydration obtained from DFT calculations agreed well with those obtained experimentally using EXAFS.

  14. Neutron diffraction studies of U4O9: comparison with EXAFS results.

    Science.gov (United States)

    Garrido, F; Hannon, A C; Ibberson, R M; Nowicki, L; Willis, B T M

    2006-10-02

    Conradson et al. have analyzed X-ray absorption fine-structure spectra of the UO2-U4O9 system and concluded that oxygen atoms are incorporated in U4O9 as oxo groups with U-O distances in the range 1.72-1.76 A. They also found that the uranium sublattice consists of an ordered portion and an additional 'spectroscopically silent' glassy portion. We have carried out studies of powdered U4O9 by neutron diffraction which contradict these conclusions from EXAFS measurements. Our analysis shows that there are no U-O bonds shorter than 2.2 A and that U4O9 is crystallographically ordered with no evidence of a glassy structure.

  15. EXAFS and XANES analysis of plutonium and cerium edges from titanate ceramics for fissile materials disposal

    International Nuclear Information System (INIS)

    Fortner, J. A.; Kropf, A. J.; Bakel, A. J.; Hash, M. C.; Aase, S. B.; Buck, E. C.; Chamerlain, D. B.

    1999-01-01

    We report x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS) spectra from the plutonium L III edge and XANES from the cerium L II edge in prototype titanate ceramic hosts. The titanate ceramics studied are based upon the hafnium-pyrochlore and zirconolite mineral structures and will serve as an immobilization host for surplus fissile materials, containing as much as 10 weight % fissile plutonium and 20 weight % (natural or depleted) uranium. Three ceramic formulations were studied: one employed cerium as a ''surrogate'' element, replacing both plutonium and uranium in the ceramic matrix, another formulation contained plutonium in a ''baseline'' ceramic formulation, and a third contained plutonium in a formulation representing a high-impurity plutonium stream. The cerium XANES from the surrogate ceramic clearly indicates a mixed III-IV oxidation state for the cerium. In contrast, XANES analysis of the two plutonium-bearing ceramics shows that the plutonium is present almost entirely as Pu(IV) and occupies the calcium site in the zirconolite and pyrochlore phases. The plutonium EXAFS real-space structure shows a strong second-shell peak, clearly distinct from that of PuO 2 , with remarkably little difference in the plutonium crystal chemistry indicated between the baseline and high-impurity formulations

  16. An EXAFS study of the structure of Co-Mo hydrodesulfurization catalysts

    International Nuclear Information System (INIS)

    Clausen, B.S.; Topsoe, H.; Candia, R.; Villadsen, J.; Lengeler, B.

    1981-05-01

    By analysing the extended X-ray absorption fine structure (EXAFS) of the Mo absorption edge, structural information about both calcined and sulfided Mo/Al 2 O 3 and Co-Mo/Al 2 O 3 catalysts has been obtained. The calcined catalysts show only one strong backscatterer peak in the radial distribution function, which indicates that molybdenum is present in a highly disordered structure. For the Co-Mo/Al 2 O 3 catalyst the presence of cobalt seems to have some effect on the immediate surroundings of molybdenum. Upon sulfiding the catalysts, an ordering of the molybdenum-containing phase takes place as evidenced by the observation of a contribution from the second coordination shell. From a comparison with EXAFS data obtained on well-crystallized MoS 2 it is concluded that the molybdenum atoms in the catalysts are present in MoS 2 -like structures. Furthermore, from a comparison of the amplitude of the Mo-backscatterer peak it is found that these MoS 2 -like structures are ordered in very small domains. (orig.)

  17. Structural investigations on an amorphous Se90Te10 alloy produced by mechanical alloying using EXAFS, cumulant expansion and RMC simulations.

    Science.gov (United States)

    Kostrzepa, I M; Siqueira, M C; Machado, K D; Maciel, G A; Sanchez, D F; Brunatto, S F

    2012-03-28

    We investigated an amorphous Se(90)Te(10) alloy produced by mechanical alloying using two different approaches. First, we used extended x-ray absorption fine structure (EXAFS) spectroscopy and the cumulant expansion method using the Einstein model for the temperature dependence of the cumulants to obtain the cumulants C(*)(1), C(*)(2), and C(*)(3). From these, we found information about the structure of the alloy as well as the thermal and structural disorder, anharmonicity of the effective interatomic pair potentials, thermal expansion of the Se-Se and Se-Te bonds and asymmetry of the partial distribution functions g(Se-Se)(r) and g(Se-Te)(r). The cumulants C(*)(1), C(*)(2), and C(*)(3) also allowed us to reconstruct the g(EXAFS)(ij)(r,T) functions from EXAFS. Then, we made reverse Monte Carlo (RMC) simulations using the total structure factor S(K) obtained from synchrotron x-ray diffraction and the EXAFS oscillations χ(k) on the Se K edge as input data to obtain the g(RMC)(ij)(r) functions. Both methods furnished very similar g(ij)(r) functions, and the structural data obtained from them were also very similar. The results obtained from both methods showed the presence of Se-Te pairs indicating that there is alloying at the atomic level. In addition, we could not find any evidence of the presence of Te clusters in the alloy. © 2012 IOP Publishing Ltd

  18. New insights into metal interactions with the prion protein: EXAFS analysis and structure calculations of copper binding to a single octarepeat from the prion protein.

    Science.gov (United States)

    McDonald, Alex; Pushie, M Jake; Millhauser, Glenn L; George, Graham N

    2013-11-07

    Copper coordination to the prion protein (PrP) has garnered considerable interest for almost 20 years, due in part to the possibility that this interaction may be part of the normal function of PrP. The most characterized form of copper binding to PrP has been Cu(2+) interaction with the conserved tandem repeats in the N-terminal domain of PrP, termed the octarepeats, with many studies focusing on single and multiple repeats of PHGGGWGQ. Extended X-ray absorption fine structure (EXAFS) spectroscopy has been used in several previous instances to characterize the solution structure of Cu(2+) binding into the peptide backbone in the HGGG portion of the octarepeats. All previous EXAFS studies, however, have benefitted from crystallographic structure information for [Cu(II) (Ac-HGGGW-NH2)(-2H)] but have not conclusively demonstrated that the complex EXAFS spectrum represents the same coordination environment for Cu(2+) bound to the peptide backbone. Density functional structure calculations as well as full multiple scattering EXAFS curve fitting analysis are brought to bear on the predominant coordination mode for Cu(2+) with the Ac-PHGGGWGQ-NH2 peptide at physiological pH, under high Cu(2+) occupancy conditions. In addition to the structure calculations, which provide a thermodynamic link to structural information, methods are also presented for extensive deconvolution of the EXAFS spectrum. We demonstrate how the EXAFS data can be analyzed to extract the maximum structural information and arrive at a structural model that is significantly improved over previous EXAFS characterizations. The EXAFS spectrum for the chemically reduced form of copper binding to the Ac-PHGGGWGQ-NH2 peptide is presented, which is best modeled as a linear two-coordinate species with a single His imidazole ligand and a water molecule. The extent of in situ photoreduction of the copper center during standard data collection is also presented, and EXAFS curve fitting of the photoreduced species

  19. EXAFS: Possibilities, advantages and limitations for the investigation of local order in metallic glasses

    International Nuclear Information System (INIS)

    Haensel, R.; Rabe, P.; Tolkiehn, G.; Werner, A.

    1980-06-01

    Throughout this book many examples for the close relationship between the macroscopic properties and the local structure of liquid and amorphous metals and alloys are given. Complementing the conventional X-ray, electron and neutron scattering techniques the analysis of the Extended X-ray Absorption Fine Structure (EXAFS) has been developed to a reliable method for structural analysis. Although the phenomenon is known since the thirties of the century, its application for the determination of local geometrical parameters has only been introduced about ten years ago. The development of the method has been greatly stimulated by extensive theoretical work, e.g. more refined calculations of complex scattering amplitudes and by the availability of synchrotron radiation as an intense X-ray continuum source. Two aspects are discussed in this paper: i) the basic principles of EXAFS and the usual data evaluation techniques demonstrated for crystalline Fe; ii) Applications on amorphous systems, the modifications of the data evaluation due to nonsymmetric pair distributions and the comparison with other methods for structure determination. (orig.)

  20. Sorption speciation of lanthanides/actinides on minerals by TRLFS, EXAFS and DFT studies: a review.

    Science.gov (United States)

    Tan, Xiaoli; Fang, Ming; Wang, Xiangke

    2010-11-17

    Lanthanides/actinides sorption speciation on minerals and oxides by means of time resolved laser fluorescence spectroscopy (TRLFS), extended X-ray absorption fine structure spectroscopy (EXAFS) and density functional theory (DFT) is reviewed in the field of nuclear disposal safety research. The theoretical aspects of the methods are concisely presented. Examples of recent research results of lanthanide/actinide speciation and local atomic structures using TRLFS, EXAFS and DFT are discussed. The interaction of lanthanides/actinides with oxides and minerals as well as their uptake are also of common interest in radionuclide chemistry. Especially the sorption and inclusion of radionuclides into several minerals lead to an improvement in knowledge of minor components in solids. In the solid-liquid interface, the speciation and local atomic structures of Eu(III), Cm(III), U(VI), and Np(IV/VI) in several natural and synthetic minerals and oxides are also reviewed and discussed. The review is important to understand the physicochemical behavior of lanthanides/actinides at a molecular level in the natural environment.

  1. Sorption Speciation of Lanthanides/Actinides on Minerals by TRLFS, EXAFS and DFT Studies: A Review

    Directory of Open Access Journals (Sweden)

    Xiaoli Tan

    2010-11-01

    Full Text Available Lanthanides/actinides sorption speciation on minerals and oxides by means of time resolved laser fluorescence spectroscopy (TRLFS, extended X-ray absorption fine structure spectroscopy (EXAFS and density functional theory (DFT is reviewed in the field of nuclear disposal safety research. The theoretical aspects of the methods are concisely presented. Examples of recent research results of lanthanide/actinide speciation and local atomic structures using TRLFS, EXAFS and DFT are discussed. The interaction of lanthanides/actinides with oxides and minerals as well as their uptake are also of common interest in radionuclide chemistry. Especially the sorption and inclusion of radionuclides into several minerals lead to an improvement in knowledge of minor components in solids. In the solid-liquid interface, the speciation and local atomic structures of Eu(III, Cm(III, U(VI, and Np(IV/VI in several natural and synthetic minerals and oxides are also reviewed and discussed. The review is important to understand the physicochemical behavior of lanthanides/actinides at a molecular level in the natural environment.

  2. Fine structure characterization of zero-valent iron nanoparticles for decontamination of nitrites and nitrates in wastewater and groundwater

    Directory of Open Access Journals (Sweden)

    Kuen-Song Lin et al

    2008-01-01

    Full Text Available The main objectives of the present study were to investigate the chemical reduction of nitrate or nitrite species by zero-valent iron nanoparticle (ZVIN in aqueous solution and related reaction kinetics or mechanisms using fine structure characterization. This work also exemplifies the utilization of field emission-scanning electron microscope (FE–SEM, transmission electron microscopy (TEM, and x-ray diffraction (XRD to reveal the speciation and possible reaction pathway in a very complex adsorption and redox reaction process. Experimentally, ZVIN of this study was prepared by sodium borohydride reduction method at room temperature and ambient pressure. The morphology of as-synthesized ZVIN shows that the nearly ball and ultrafine particles ranged of 20–50 nm were observed with FE–SEM or TEM analysis. The kinetic model of nitrites or nitrates reductive reaction by ZVIN is proposed as a pseudo first-order kinetic equation. The nitrite and nitrate removal efficiencies using ZVIN were found 65–83% and 51–68%, respectively, based on three different initial concentrations. Based on the XRD pattern analyses, it is found that the quantitative relationship between nitrite and Fe(III or Fe(II is similar to the one between nitrate and Fe(III in the ZVIN study. The possible reason is due to the faster nitrite reduction by ZVIN. In fact, the occurrence of the relative faster nitrite reductive reaction suggested that the passivation of the ZVIN have a significant contribution to iron corrosion. The extended x-ray absorption fine structure (EXAFS or x-ray absorption near edge structure (XANES spectra show that the nitrites or nitrates reduce to N2 or NH3 while oxidizing the ZVIN to Fe2O3 or Fe3O4 electrochemically. It is also very clear that decontamination of nitrate or nitrite species in groundwater via the in-situ remediation with a ZVIN permeable reactive barrier would be environmentally attractive.

  3. A structural study of ceramic oxides by X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Akhtar, M.J.

    1995-01-01

    A detailed structural study of ceramic oxides is presented by employing X-ray Absorption Spectroscopy (XAS). In the present work X-ray Absorption Near Edge Structure (XANES) is used for the investigation of valence state of metal cations; whereas, Extended X-ray Absorption Fine Structure EXAFS) is employed for the determination for bond lengths, coordination numbers and nature of the elements present in the near neighbour shells surrounding the absorbing atom. These results show that local environment of dopant and host cations are different; and this variation in local structure depends on the nature and concentration of the dopant ions. (author)

  4. EXAFS investigation of uranium(6) complexes formed at Acidithiobacillus ferro oxidans types

    International Nuclear Information System (INIS)

    Merroun, M.; Reich, T.; Hennig, Ch.; Selenska-Pobell, S.

    2002-01-01

    Mining activities have brought excessive amounts of uranium into the environment. In uranium deposits a number of acidophilic chemo-litho-autotrophic bacteria have been identified which are able to oxidize sulphide minerals, elemental sulphur, ferrous iron and also (in the presence of uranium mineral) U(IV). In particular, the interaction of one representative of the group Acidithiobacillus ferro oxidans (new designation of Thiobacillus ferro oxidans) with uranium has been investigated. Uranium(VI) complex formations at the surfaces of Acidithiobacillus ferro oxidans were studied using uranium L III -edge extended X-ray absorption fine structure (EXAFS) spectroscopy. In all samples uranium is co-ordinated by two axial oxygen atoms (O ax ) at a distance of 1.77-1.78 angstrom. The average distance between uranium and the equatorial oxygen atoms (O eq ) is 2.35 angstrom. The co-ordination number for O eq is 5-6. In comparison to the uranium crystal structure data, the U-O eq distance indicates a co-ordination number of the equatorial oxygen of 5. Within the experimental error, there are no differences in the U-O bond distances between samples from the three types of A. ferro oxidans investigated. The fit to the EXAFS data of samples measured as wet pastes gave the same results as for dried samples. No significant structural differences were observed for the uranium complexes formed by the eco-types of A. ferro oxidans. However, the EXAFS spectra do indicate a formation of uranium complexes which are different from those formed by Bacilli where the bond length of 2.28 angstrom indicates a co-ordination number of 4 for the equatorial oxygen atoms. (authors)

  5. Preparation, spectroscopy, EXAFS, electrochemistry and pharmacology of new ruthenium(II) carbonyl complexes containing ferrocenylthiosemicarbazone and triphenylphosphine/arsine

    Science.gov (United States)

    Prabhakaran, R.; Anantharaman, S.; Thilagavathi, M.; Kaveri, M. V.; Kalaivani, P.; Karvembu, R.; Dharmaraj, N.; Bertagnolli, H.; Dallemer, F.; Natarajan, K.

    2011-02-01

    A new series of new hetero-bimetallic complexes containing iron and ruthenium of the general formula [RuCl(CO)(B)(EPh 3)(L)] (where E = P or As; B = PPh 3, AsPh 3, py or pip; L = ferrocene derived monobasic bidentate thiosemicarbazone ligand) have been synthesized by the reaction between ferrocene-derived thiosemicarbazones and ruthenium(II) complexes of the type [RuHCl(CO)(B)(EPh 3) 2] (where E = P or As; B = PPh 3, AsPh 3, py or pip). The new complexes have been characterized by elemental analyses, IR, electronic, NMR ( 1H, 13C and 31P), EXAFS (extended X-ray absorption fine structure spectroscopy) and cyclic voltammetric techniques. Antibacterial activity of the new complexes has been screened against Escherichia coli, Vibrio cholerae, and Pseudomonas aeruginosa species.

  6. X-ray absorption spectroscopy of diluted system by undulator photon source and multi-element solid-state detector

    CERN Document Server

    Tanida, H

    2001-01-01

    In order to measure the extended X-ray absorption fine structure (EXAFS) spectrum of an ultra-diluted system, an optics and detector control system for a synchrotron radiation beamline is developed. The undulator gap width is continuously tuned to obtain the maximum X-ray photon flux during the energy scan for the EXAFS measurement. A piezoelectric translator optimizes the parallelism of the double crystal in a monochromator at each measurement point to compensate for mechanical errors of the monochromator, resulting in a smooth and intense X-ray photon flux during the measurement. For a detection of a weak fluorescence signal from diluted samples, a 19-element solid-state detector and digital signal processor are used. A K-edge EXAFS spectrum of iron in a myoglobin aqueous solution with a concentration of 5.58 parts per million was obtained by this system.

  7. Molecular characterization of copper in soils using X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Strawn, Daniel G.; Baker, Leslie L.

    2009-01-01

    Bioavailability of Cu in the soil is a function of its speciation. In this paper we investigated Cu speciation in six soils using X-ray absorption near edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and synchrotron-based micro X-ray fluorescence (μ-XRF). The XANES and EXAFS spectra in all of the soils were the same. μ-XRF results indicated that the majority of the Cu particles in the soils were not associated with calcium carbonates, Fe oxides, or Cu sulfates. Principal component analysis and target transform of the XANES and EXAFS spectra suggested that Cu adsorbed on humic acid (HA) was an acceptable match. Thus it appears that Cu in all of the soils is primarily associated with soil organic matter (SOM). Theoretical fitting of the molecular structure in the soil EXAFS spectra revealed that the Cu in the soils existed as Cu atoms bound in a bidentate complex to O or N functional groups. - Copper speciation in six soils was investigated using XANES, EXAFS, and μ-XRF.

  8. X-ray absorption spectroscopy and EPR studies of oriented spinach thylakoid preparations

    Energy Technology Data Exchange (ETDEWEB)

    Andrews, J.C. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley Lab., CA (United States). Structural Biology Div.

    1995-08-01

    In this study, oriented Photosystem II (PS II) particles from spinach chloroplasts are studied with electron paramagnetic resonance (EPR) and x-ray absorption spectroscopy (XAS) to determine more details of the structure of the oxygen evolving complex (OEC). The nature of halide binding to Mn is also studied with Cl K-edge and Mn EXAFS (extended x-ray absorption fine structure) of Mn-Cl model compounds, and with Mn EXAFS of oriented PS II in which Br has replaced Cl. Attention is focused on the following: photosynthesis and the oxygen evolving complex; determination of mosaic spread in oriented photosystem II particles from signal II EPR measurement; oriented EXAFS--studies of PS II in the S{sub 2} state; structural changes in PS II as a result of treatment with ammonia: EPR and XAS studies; studies of halide binding to Mn: Cl K-edge and Mn EXAFS of Mn-Cl model compounds and Mn EXAFS of oriented Br-treated photosystem II.

  9. EXAFS study of the aging of LaNi5 and LaNi4.5Mn0.5 compounds during tritium storage

    International Nuclear Information System (INIS)

    Paul-Boncour, V.; Percheron-Guegan, A.; Achard, J.C.; Gasnier, P.; Carriat, J.Y.; Limacher, B.; Leroy, D.

    1994-01-01

    The modification of the thermodynamic and structural properties of LaNi 5 and LaNi 4.5 Mn 0.5 tritides, due to the presence of helium coming from the radioactive decay of tritium is studied by pressure-composition-temperature (P-C-T) isotherms determination, X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) experiments. For high He content a loss of long range order is observed and Extended X-ray Absorption Fine Structure (EXAFS) study show a small increase of the static disorder around Ni and Mn atoms and a larger one around La atoms. The assumption that a great part of the helium is located in the largest interstitial sites of the LaNi 5 or LaNi 5-x M x cell, leading to a cell distortion for high He content, allows to explain both thermodynamic and structural results. (orig.)

  10. Applications of X-ray absorption spectroscopy and low temperature XMCD to metalloproteins

    Energy Technology Data Exchange (ETDEWEB)

    Christiansen, J.H. [Univ. of California, Davis, CA (United States). Dept. of Applied Science]|[Lawrence Berkeley National Lab., CA (United States). Energy and Environment Div.

    1996-01-01

    The author has used the extended X-ray absorption fine structure (EXAFS) and ultra-low temperature X-ray magnetic circular dichroism (XMCD) to study the environments of the metal sites in metalloproteins. EXAFS has been used to study the Zn site in spinach carbonic anhydrase. The EXAFS, in parallel with site directed mutagenesis studies, indicate that the active site Zn is in a cys-cys-his-H{sub 2}O environment, very different from the mammalian carbonic anhydrase active site. Nitrogenase, the primary enzyme in biological nitrogen fixation, contains two complex metal clusters of unique structure. EXAFS studies at the Fe and Mo K-edges of nitrogenase solutions and crystals yielded information about the various metal-metal distances in these two clusters. The author assigned 4 Fe and 3 Mo interactions >4 {angstrom}. Single crystal Mo K-edge EXAFS then found a very long Fe-Fe distance of {approximately}5.1 {angstrom}. These distances were then used to further refine the proposed crystallographic models to their highest accuracy yet. Studies were carried further by examining nitrogenas in oxidized and reduced forms--states for which there is no crystallographic information. Small structural changes were observed and an EXAFS model was put forth that attempts to deconvolute the EXAFS distances of the two metal clusters. Nitrogenase Apo I, a genetic mutant of nitrogenase which is though to contain only one of the two different metal clusters, was also examined using EXAFS. These studies showed results consistent with current models, yet the metal clusters were very disordered. Finally, ultra-low temperature methods were used to further the development of XMCD as a technique for studying biological systems. Experiments were performed on the copper in plastocyanin. Data was collected that definitively proves that the sample surface was at 0.55 {+-} 0.05 K. This result opens the door to further study of more complex biological metal clusters.

  11. On the method of calibration of the energy dispersive EXAFS ...

    Indian Academy of Sciences (India)

    Abstract. A procedure for calibration of the recently developed energy dispersive. EXAFS beamline at the Indus-2 synchrotron source at RRCAT, Indore, India has been described. The procedure involves recording of absorption spectra of two standard samples, whose absorption edge energies are well-established.

  12. Edge separation using diffraction anomalous fine structure

    International Nuclear Information System (INIS)

    Ravel, B.; Bouldin, C.E.; Renevier, H.; Hodeau, J.L.; Berar, J.F.

    1999-01-01

    We exploit the crystallographic sensitivity of the Diffraction Anomalous Fine-Structure (DAFS) measurement to separate the fine structure contributions of different atomic species with closely spaced resonant energies. In BaTiO 3 the Ti K edge and Ba Lm edges are separated by 281 eV, or about 8.2 Angstrom -1 ), thus severely limiting the information content of the Ti K edge signal. Using the site selectivity of DAFS we can separate the two fine structure spectra using an iterative Kramers-Kronig method, thus extending the range of the Ti K edge spectrum. This technique has application to many rare earth/transition metal compounds, including many magnetic materials of technological significance for which K and L edges overlap in energy. (au)

  13. Applications of EXAFS to studies of the structure of amorphous and microcrystalline solids

    International Nuclear Information System (INIS)

    Gaskell, P.H.

    1983-01-01

    The subject is discussed under the headings: introduction; outline of underlying theory (relationship of EXAFS and elastic scattering techniques; limitations of EXAFS); examples of experimental studies (EXAFS studies of metallic glasses; alkali and alkaline earth cations in amorphous oxides; precipitation in Cu-Al alloys; structure of bimetallic clusters in Pt-Ir catalysts); x-ray absorption near-edge spectra (XANES). (U.K.)

  14. X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

    Energy Technology Data Exchange (ETDEWEB)

    Westre, Tami E. [Stanford Univ., CA (United States)

    1996-01-01

    Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s→3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been applied to the study of non-heme iron enzyme active sites.

  15. 3rd International EXAFS Conference

    CERN Document Server

    Hedman, Britt; Penner-Hahn, James

    1984-01-01

    This volume contains the Proceedings of the Third International EXAFS Conference, hosted by Stanford University and the Stanford Synchrotron Radiation Laboratory on July 16-20, 1984. The meeting, co-chaired by Professors Arthur Bienenstock and Keith Hodgson, was attended by over 200 scientists representing a wide range of scientific disciplines. The format of the meeting consisted of 51 invited presenta­ tions and four days of poster sessions. This Proceedings is a compilation of 139 contributions from both invited speakers and authors of contributed posters. The last ten years has seen the rapid maturation of x-ray absorption spectrosco­ pyas a scientific discipline. The vitality of the field is reflected in the diver­ sity of applications found in the Proceedings. Recent work continues to probe the limits of x-ray spectroscopy, with proven techniques being extended to, for examp­ le, very low or high energy studies, to very dilute systems, and to studies of surface structure. In fact, the title of the c...

  16. Simultaneous Speciation, Structure, and Equilibrium Constant Determination in the Ni2+-EDTA-CN- Ternary System via High-Resolution Laboratory X-ray Absorption Fine Structure Spectroscopy and Theoretical Calculations.

    Science.gov (United States)

    Bajnóczi, Éva G; Németh, Zoltán; Vankó, György

    2017-11-20

    Even quite simple chemical systems can involve many components and chemical states, and sometimes it can be very difficult to differentiate them by their hardly separable physical-chemical properties. The Ni II -EDTA-CN - (EDTA = ethylenediaminetetraacetic acid) ternary system is a good example for this problem where, in spite of its fairly simple components and numerous investigations, several molecular combinations can exist, all of them not having been identified unambiguously yet. In order to achieve a detailed understanding of the reaction steps and chemical equilibria, methods are required in which the structural transitions in the different reaction steps can be followed via element-selective complex spectral feature sets. With the help of our recently developed von Hámos type high-resolution laboratory X-ray absorption spectrometer, both the structural variations and stability constants of the forming complexes were determined from the same measurement series, proving that X-ray absorption spectroscopy can be considered as a multifaced, table-top tool in coordination chemistry. Furthermore, with the help of theoretical calculations, independent structural evidence was also given for the formation of the [NiEDTA(CN)] 3- mixed complex.

  17. Mechanism of molybdenum removal from the sea and its concentration in black shales: EXAFS evidence

    Science.gov (United States)

    Helz, G.R.; Miller, C.V.; Charnock, J.M.; Mosselmans, J.F.W.; Pattrick, R.A.D.; Garner, C.D.; Vaughan, D.J.

    1996-01-01

    Molybdenum K-edge EXAFS (extended X-ray absorption fine structure) spectra yield new structural information about the chemical environment of Mo in high-Mo black shales and sediments. Two spectral types are found. The less common one, associated with Mo ores developed in shale in China, is that of a MoS2 phase, possibly X-ray amorphous jordisite. The other, associated with Cretaceous deep sea sediments and with other black shales, is characterized by short Mo-O distances (1.69-1.71 A??), by Mo-S distances of 2.30-2.38 A??, and in some cases by second shell Mo and Fe interactions, which suggests that some Mo resides in transition metal-rich phases. EXAFS spectra of synthetic amorphous materials, prepared by scavenging Mo from HS solutions with Fe(II), FeOOH, and humic acid, suggest that the second spectral type arises from Mo present chiefly in two forms. One is a compact, Mo-Fe-S "cubane" type compound with Mo-S distances of ???2.36 A?? and Mo-Fe distances of ???2.66 A??, while the other is probably an organic form containing some Mo-O double bonds (???1.69 A??). Laboratory products, that were prepared by scavenging dissolved Mo from sulfidic solutions with humic acid, yield spectra quite similar to the second spectral type observed in shales and sediments, including unexpected indications of Mo-Fe interactions. Molybdenum L-edge spectra indicate that the mean oxidation state in the sediments and shales lies between IV and VI. This work demonstrates the merit of EXAFS for obtaining structural information on natural materials containing X-ray amorphous components which defeat conventional mineralogical characterization. The implications of these findings regarding Mo scavenging from sulfidic natural waters are considered. We introduce the concept of a geochemical switch, in which HS- transforms the marine behavior of Mo from that of a conservative element to that of a particle reactive element. The action point of the HS- switch is calculated to be, aHS- = 10

  18. Fine structure study on low concentration zinc substituted hydroxyapatite nanoparticles

    International Nuclear Information System (INIS)

    Hu, Wei; Ma, Jun; Wang, Jianglin; Zhang, Shengmin

    2012-01-01

    The fine structure of zinc substituted hydroxyapatite was studied using experimental analysis and first-principles calculations. The synthetic hydroxyapatite nanoparticles containing low Zn concentration show rod-like morphology. The crystallite sizes and unit-cell volumes tended to decrease with the increased Zn concentration according to X-ray diffraction patterns. The Zn K-edge X-ray absorption spectra and fitting results suggest that the hydroxyapatite doped with 0.1 mole% zinc is different in the zinc coordination environments compared with that containing more zinc. The density function theory calculations were performed on zinc substituted hydroxyapatite. Two mechanisms included replacing calcium by zinc and inserting zinc along the hydroxyl column and were investigated, and the related substitution energies were calculated separately. It is found that the substitution energies are negative and lowest for inserting zinc between the two oxygen atoms along the hydroxyl column (c-axis). Combined with the spectral analysis, it is suggested that the inserting mechanism is favored for low concentration zinc substituted hydroxyapatite. Highlights: ► We investigate the fine structure of hydroxyapatite with low content of Zn. ► XANES spectra are similar but a little different at low zinc content. ► Zinc ions influence hydroxyapatite crystal formation and lattice parameters. ► Formation energies are calculated according to plane-wave density function theory. ► Low content of zinc prefers to locate at hydroxyl column in hydroxyapatite lattice.

  19. The active phase of NaCo/ZnO catalyst for ethanol steam reforming: EXAFS and in situ XANES studies

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Kyoung-Suk; Lee, Yong-Kul [Laboratory of Advanced Catalysis for Energy and Environment, Department of Chemical Engineering, Dankook University, 126 Jukjeondong, Yongin 448-701 (Korea)

    2010-06-15

    The NaCo/ZnO catalyst was prepared by a co-precipitation method and the active phase for the catalyst was studied. Extended X-ray absorption fine structure (EXAFS) studies were used to obtain structural parameters of the active phase of the catalyst. In situ X-ray absorption near edge structure (XANES) studies were also employed to better understand the phase transition of the catalyst in the course of H{sub 2}-temperature-programmed reduction followed by ethanol steam reforming. The XANES analysis confirmed that the oxidic precursor of Co{sub 3}O{sub 4} phase was transformed to CoO followed by Co metal in the course of H{sub 2}-TPR, and the Co metal phase remained stable during the reaction. The EXAFS analysis for the fresh and spent catalyst samples revealed that the characteristic features corresponding to Co-Co distance of Co metallic phase were being developed during reaction, which demonstrated that Co phase is most likely the active phase of NaCo/ZnO catalyst for the ethanol steam reforming. The catalytic activity in ethanol steam reforming for hydrogen production over the oxidized and reduced catalyst samples was measured at 773 K and 1 atm in a fixed bed reactor using a model liquid feed containing 21 vol% ethanol in water. The prereduced NaCo/ZnO catalyst gave high ethanol conversion of 99% with product distributions of 73.0% H{sub 2}, 2.2% CO, 22.1% CO{sub 2}, and 2.7% CH{sub 4}, while the calcined oxidic one exhibited poor ethanol conversion below 44% at 773 K. (author)

  20. Single crystalline and rare earth substituted La2RuO5 investigated by x-ray diffraction and EXAFS spectroscopy

    Science.gov (United States)

    Riegg, S.; Reller, A.; Ebbinghaus, S. G.

    2012-04-01

    Single crystals of La2RuO5 were obtained from a BaCl2 flux. The structure was determined by single crystal x-ray diffraction and compared to earlier x-ray and neutron powder diffraction results. The local structures of Ru and La/Ln in pure La2RuO5 and the rare earth substituted LaLnxRuO5 (Ln=Pr, Nd, Sm, Gd, Dy) polycrystalline samples were determined from the extended x-ray absorption fine structures (EXAFS) of the K- and LIII-edges of Ru, La, and Ln, respectively. A four shell model was developed to reduce the number of refinable parameters in the fit of the EXAFS spectra. The distribution of the Ln-ions in the layered crystal structure was determined by a comparison of the coordination spheres obtained from the Ln-edges with the unsubstituted La2RuO5. Interatomic distances were compared to the values obtained from the single crystal diffraction and were found to agree very well.

  1. Revisit to diffraction anomalous fine structure

    International Nuclear Information System (INIS)

    Kawaguchi, T.; Fukuda, K.; Tokuda, K.; Shimada, K.; Ichitsubo, T.; Oishi, M.; Mizuki, J.; Matsubara, E.

    2014-01-01

    The diffraction anomalous fine structure method has been revisited by applying this measurement technique to polycrystalline samples and using an analytical method with the logarithmic dispersion relation. The diffraction anomalous fine structure (DAFS) method that is a spectroscopic analysis combined with resonant X-ray diffraction enables the determination of the valence state and local structure of a selected element at a specific crystalline site and/or phase. This method has been improved by using a polycrystalline sample, channel-cut monochromator optics with an undulator synchrotron radiation source, an area detector and direct determination of resonant terms with a logarithmic dispersion relation. This study makes the DAFS method more convenient and saves a large amount of measurement time in comparison with the conventional DAFS method with a single crystal. The improved DAFS method has been applied to some model samples, Ni foil and Fe 3 O 4 powder, to demonstrate the validity of the measurement and the analysis of the present DAFS method

  2. Local Bi-O bonds correlated with infrared emission properties in triply doped Gd2.95Yb0.02Bi0.02Er0.01Ga5O12 via temperature-dependent Raman spectra and x-ray absorption fine structure analysis.

    Science.gov (United States)

    Tong, Liping; Saito, Katsuhiko; Guo, Qixin; Zhou, Han; Guo, Xingmei; Fan, Tongxiang; Zhang, Di

    2018-03-28

    A correlation function between the Raman intensities and the nearest-neighbor mean-square relative displacement (MSRD) [Formula: see text] of local Bi-O bonds is successfully established based on x-ray absorption fine structure (XAFS) and temperature-dependent Raman spectra in the temperature range 77-300 K in amorphous and crystalline Gd 2.95 Yb 0.02 Bi 0.02 Er 0.01 Ga 5 O 12 . The structural symmetries of Gd 2.95 Yb 0.02 Bi 0.02 Er 0.01 Ga 5 O 12 are described by using [Formula: see text] of local Bi-O bonds. More importantly, Gd 2.95 Yb 0.02 Bi 0.02 Er 0.01 Ga 5 O 12 is found to show excellent infrared (IR) emission properties due to changes in Bi-O bonds, and the IR emission intensities are found to depend on [Formula: see text], by using temperature-dependent photoluminescence spectroscopy. The maximum emission intensity at 1533 nm is obtained when [Formula: see text] [Formula: see text] at the lowest symmetry. This work shows that temperature-dependent Raman intensities can be used effectively to analyze the local covalent bonds around absorbing atoms as well as to study the emission properties of this visible-light-activated IR luminophor.

  3. Local Bi–O bonds correlated with infrared emission properties in triply doped Gd2.95Yb0.02Bi0.02Er0.01Ga5O12 via temperature-dependent Raman spectra and x-ray absorption fine structure analysis

    Science.gov (United States)

    Tong, Liping; Saito, Katsuhiko; Guo, Qixin; Zhou, Han; Guo, Xingmei; Fan, Tongxiang; Zhang, Di

    2018-03-01

    A correlation function between the Raman intensities and the nearest-neighbor mean-square relative displacement (MSRD) σ2 of local Bi–O bonds is successfully established based on x-ray absorption fine structure (XAFS) and temperature-dependent Raman spectra in the temperature range 77–300 K in amorphous and crystalline Gd2.95Yb0.02Bi0.02Er0.01Ga5O12. The structural symmetries of Gd2.95Yb0.02Bi0.02Er0.01Ga5O12 are described by using σ2 of local Bi–O bonds. More importantly, Gd2.95Yb0.02Bi0.02Er0.01Ga5O12 is found to show excellent infrared (IR) emission properties due to changes in Bi–O bonds, and the IR emission intensities are found to depend on σ2 , by using temperature-dependent photoluminescence spectroscopy. The maximum emission intensity at 1533 nm is obtained when σ^2∼0.003 {\\mathringA} at the lowest symmetry. This work shows that temperature-dependent Raman intensities can be used effectively to analyze the local covalent bonds around absorbing atoms as well as to study the emission properties of this visible-light-activated IR luminophor.

  4. The electronic fine structure of 4-nitrophenyl functionalized single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Chakraborty, Amit K; Coleman, Karl S; Dhanak, Vinod R

    2009-01-01

    Controlling the electronic structure of carbon nanotubes (CNTs) is of great importance to various CNT based applications. Herein the electronic fine structure of single-walled carbon nanotube films modified with 4-nitrophenyl groups, produced following reaction with 4-nitrobenzenediazonium tetrafluoroborate, was investigated for the first time. Various techniques such as x-ray and ultra-violet photoelectron spectroscopy, and near edge x-ray absorption fine structure studies were used to explore the electronic structure, and the results were compared with the measured electrical resistances. A reduction in number of the π electronic states in the valence band consistent with the increased resistance of the functionalized nanotube films was observed.

  5. Ca L2,3-edge XANES and Sr K-edge EXAFS study of hydroxyapatite and fossil bone apatite.

    Science.gov (United States)

    Zougrou, I M; Katsikini, M; Brzhezinskaya, M; Pinakidou, F; Papadopoulou, L; Tsoukala, E; Paloura, E C

    2016-08-01

    Upon burial, the organic and inorganic components of hard tissues such as bone, teeth, and tusks are subjected to various alterations as a result of interactions with the chemical milieu of soil, groundwater, and presence of microorganisms. In this study, simulation of the Ca L 2,3-edge X-ray absorption near edge structure (XANES) spectrum of hydroxyapatite, using the CTM4XAS code, reveals that the different symmetry of the two nonequivalent Ca(1) and Ca(2) sites in the unit cell gives rise to specific spectral features. Moreover, Ca L 2,3-edge XANES spectroscopy is applied in order to assess variations in fossil bone apatite crystallinity due to heavy bacterial alteration and catastrophic mineral dissolution, compared to well-preserved fossil apatite, fresh bone, and geologic apatite reference samples. Fossilization-induced chemical alterations are investigated by means of Ca L 2,3-edge XANES and scanning electron microscopy (SEM) and are related to histological evaluation using optical microscopy images. Finally, the variations in the bonding environment of Sr and its preference for substitution in the Ca(1) or Ca(2) sites upon increasing the Sr/Ca ratio is assessed by Sr K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy.

  6. Statistical Fine Structure in Inhomogeneously Broadened Absorption Lines in Solids.

    Science.gov (United States)

    1987-12-22

    ofTsct by -1 50 Miz from that for (e). (g) > (f Large laser spot (0.75 mm dian - ctcr). (h) Persistent hole burned in C .9 the spectral range of trace (g...Harry 0. Gafney I.B.M. C;o’’tion Department of Chemistry Almad esearch Center Queens College of CUNY 6W ~arrye Rd. Flushing, New York 11367-0904 ,an

  7. Angle-resolved photoemission extended fine structure

    International Nuclear Information System (INIS)

    Barton, J.J.

    1985-03-01

    Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs

  8. Characterization of Metalloproteins and Biomaterials by X-ray Absorption Spectroscopy and X-ray Diffraction

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl

    by estimation of the water content by thermogravimetric analysis. Bone tissue from dogs treated with strontiummalonate was studied using XAS. A new approach for analysing the X-ray absorption spectra resulted in a compositional model, from which the relative distribution of strontium in the different bone......-ray crystallography and X-ray absorption spectroscopy (XAS) applied to studying different hexameric insulin conformations. (iii) The structures of polymorphs of strontium ranelate and the distribution of strontium in bone tissue. A procedure for fast identification and verification of protein powders using XRPD...... and R6) were solved by single crystal X-ray diffraction (XRD) to 1.40 Å, 1.30 Å and 1.80 Å resolution, respectively. The zinc coordination in each conformation was studied by XAS including both extended X-ray absorption fine structure (EXAFS) spectroscopy and X-ray absorption near edge structure (XANES...

  9. EXAFS Experiments at High Pressure with Small Samples

    Science.gov (United States)

    Whitmore, John Edward

    X-ray absorption spectroscopy has been used to study alkali halides at high pressures, using a pressure cell with either diamond or boron carbide X-ray transparent anvils, and having a free X-ray beam path to those anvils. Sample pressures were determined both by ruby fluorescence and by EXAFS analytic methods. Methods of obtaining pressure from EXAFS data are explored, and a portable apparatus for the ruby fluorescence pressure determination is described. It is found that diamond diffraction events are significant in dealing with EXAFS spectra, and apparatus is built to facilitate gathering useful data in the presence of diffraction. A technique of deconvolution and filtering of these diffraction events is performed and analyzed. A software environment that facilitates this analysis is built, documented, and expanded to perform other tasks. A small crystal of YBa_2Cu_3O _{7-x} is positioned and aligned, and its EXAFS angular dependence is probed with polarized X-rays. Analysis of the EXAFS indicates that the crystal is a pseudomorph, containing many twinned domains which make the external a axis and b axis indeterminate, though the c axis is well defined. A new piston tip design for pressure generation with boron carbide components is built and tested in EXAFS experimentation. Because the experimental result may be compromised if the boron carbide thickness is not correctly chosen for the pressure and X-ray energy of interest, a simulation of the experimental conditions is constructed so that the adequacy of X-ray flux can be determined in advance of an experiment.

  10. The structure of monomeric and dimeric uranyl adsorption complexes on gibbsite: A combined DFT and EXAFS study

    Science.gov (United States)

    Hattori, Tatsuya; Saito, Takumi; Ishida, Keisuke; Scheinost, Andreas C.; Tsuneda, Takao; Nagasaki, Shinya; Tanaka, Satoru

    2009-10-01

    We investigated the structure of uranyl sorption complexes on gibbsite (pH 5.6-9.7) by two independent methods, density functional theory (DFT) calculations and extended X-ray absorption fine structure (EXAFS) spectroscopy at the U-L III edge. To model the gibbsite surface with DFT, we tested two Al (hydr)oxide clusters, a dimer and a hexamer. Based on polarization, structure, and relaxation energies during geometry optimization, the hexamer cluster was found to be the more appropriate model. An additional advantage of the hexamer model is that it represents both edges and basal faces of gibbsite. The DFT calculations of (monomeric) uranyl sorption complexes show an energetic preference for the corner-sharing versus the edge-sharing configuration on gibbsite edges. The energy difference is so small, however, that possibly both surface species may coexist. In contrast to the edge sites, sorption to basal sites was energetically not favorable. EXAFS spectroscopy revealed in all investigated samples the same interatomic distances of the uranyl coordination environment ( R ≈ 1.80 Å, R ≈ 2.40 Å), and towards the gibbsite surface ( RU-O ≈ 2.87 Å, RU-Al ≈ 3.38 Å). In addition, two U-U distances were observed, 3.92 Å at pH 9.7 and 4.30 Å at pH 5.6, both with coordination numbers of ˜1. The short U-U distance is close to that of the aqueous uranyl hydroxo dimer, UO 2(OH) 2, reported as 3.875 Å in the literature, but significantly longer than that of aqueous trimers (3.81-3.82 Å), suggesting sorption of uranyl dimers at alkaline pH. The longer U-U distance (4.30 Å) at acidic pH, however, is not in line with known aqueous uranyl polymer complexes. Based on the EXAFS findings we further refined dimeric surface complexes with DFT. We propose two structural models: in the acidic region, the observed long U-U distance can be explained with a distortion of the uranyl dimer to form both a corner-sharing and an edge-sharing linkage to neighboring Al octahedra

  11. Parameter study of self-absorption effects in Total Reflection X-ray Fluorescence-X-ray Absorption Near Edge Structure analysis of arsenic

    International Nuclear Information System (INIS)

    Meirer, F.; Pepponi, G.; Streli, C.; Wobrauschek, P.; Kregsamer, P.; Zoeger, N.; Falkenberg, G.

    2008-01-01

    Total reflection X-ray Fluorescence (TXRF) analysis in combination with X-ray Absorption Near Edge Structure (XANES) analysis is a powerful method to perform chemical speciation studies at trace element levels. However, when measuring samples with higher concentrations and in particular standards, damping of the oscillations is observed. In this study the influence of self-absorption effects on TXRF-XANES measurements was investigated by comparing measurements with theoretical calculations. As(V) standard solutions were prepared at various concentrations and dried on flat substrates. The measurements showed a correlation between the damping of the oscillations and the As mass deposited. A Monte-Carlo simulation was developed using data of the samples shapes obtained from confocal white light microscopy. The results showed good agreement with the measurements; they confirmed that the key parameters are the density of the investigated atom in the dried residues and the shape of the residue, parameters that combined define the total mass crossed by a certain portion of the incident beam. The study presents a simple approach for an a priori evaluation of the self-absorption in TXRF X-ray absorption studies. The consequences for Extended X-ray Absorption Fine Structure (EXAFS) and XANES measurements under grazing incidence conditions are discussed, leading to the conclusion that the damping of the oscillations seems to make EXAFS of concentrated samples non feasible. For XANES 'fingerprint' analysis samples should be prepared with a deposited mass and sample shape leading to an acceptable absorption for the actual investigation

  12. Influence of 300°C thermal conversion of Fe-Ce hydrous oxides prepared by hydrothermal precipitation on the adsorptive performance of five anions: Insights from EXAFS/XANES, XRD and FTIR (companion paper)

    KAUST Repository

    Chubar, Natalia

    2016-12-07

    In this work, we report atomic-scale reconstruction processes in Fe-Ce oxide-based composites (hydrothermally precipitated at Fe-to-Ce dosage ratios of 1:0, 2:1, 1:1, 1:2, and 0:1), upon treatment at 300 °C. The structural changes are correlated with the adsorptive removal of arsenate, phosphate, fluoride, bromide, and bromate. The presence of the carbonate-based Ce-component and surface sulfate in precursor samples creates favorable conditions for phase transformation, resulting in the formation of novel (unknown) layered compounds of Fe and Ce. These compounds are of the layered double hydroxide type, with sulfate in the interlayer space. In spite of general awareness of the importance of surface area in adsorptive removal, the increase in surface area upon thermal treatment did not increase adsorption of the studied anions. However, EXAFS simulations and the adsorption tests provided evidence of regularities between local structures of Fe in composites obtained at 80 and 300 °C and adsorption performance of most studied anions. The best adsorption of tetrahedral anions was demonstrated by samples whose simulated outer Fe shells resulted from oscillations from both O and Fe atoms. In contrast, the loss of extended x-ray absorption fine structure was correlated with the decrease of adsorptive removal. Both Fe K-edge and Ce L3 -edge EXAFS suggested the formation of solid solutions. For the first time, the utilization of extended x-ray absorption fine structure is suggested as a methodological approach (first expressed in the companion paper) to estimate the surface reactivity of inorganic materials intended for use as anion exchange adsorbents.

  13. An Einstein-Cartan Fine Structure Constant Definition

    Directory of Open Access Journals (Sweden)

    Stone R. A. Jr.

    2010-01-01

    Full Text Available The fine structure constant definition given in Stone R.A. Jr. Progress in Physics, 2010, v.1, 11-13 is compared to an Einstein-Cartan fine structure constant definition. It is shown that the Einstein-Cartan definition produces the correct pure theory value, just not the measure value. To produce the measured value, the pure theory Einstein-Cartan fine structure constant requires only the new variables and spin coupling of the fine structure constant definition in [1].

  14. Molecular Eigensolution Symmetry Analysis and Fine Structure

    Directory of Open Access Journals (Sweden)

    William G. Harter

    2013-01-01

    Full Text Available Spectra of high-symmetry molecules contain fine and superfine level cluster structure related to J-tunneling between hills and valleys on rovibronic energy surfaces (RES. Such graphic visualizations help disentangle multi-level dynamics, selection rules, and state mixing effects including widespread violation of nuclear spin symmetry species. A review of RES analysis compares it to that of potential energy surfaces (PES used in Born-Oppenheimer approximations. Both take advantage of adiabatic coupling in order to visualize Hamiltonian eigensolutions. RES of symmetric and D2 asymmetric top rank-2-tensor Hamiltonians are compared with Oh spherical top rank-4-tensor fine-structure clusters of 6-fold and 8-fold tunneling multiplets. Then extreme 12-fold and 24-fold multiplets are analyzed by RES plots of higher rank tensor Hamiltonians. Such extreme clustering is rare in fundamental bands but prevalent in hot bands, and analysis of its superfine structure requires more efficient labeling and a more powerful group theory. This is introduced using elementary examples involving two groups of order-6 (C6 and D3~C3v, then applied to families of Oh clusters in SF6 spectra and to extreme clusters.

  15. X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Grace O. [Stanford Univ., CA (United States)

    1993-06-01

    X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it, from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here.

  16. X-ray absorption spectroscopic studies of the active sites of nickel- and copper-containing metalloproteins

    International Nuclear Information System (INIS)

    Tan, G.O.

    1993-06-01

    X-ray absorption spectroscopy (XAS) is a useful tool for obtaining structural and chemical information about the active sites of metalloproteins and metalloenzymes. Information may be obtained from both the edge region and the extended X-ray absorption fine structure (EXAFS) or post-edge region of the K-edge X-ray absorption spectrum of a metal center in a compound. The edge contains information about the valence electronic structure of the atom that absorbs the X-rays. It is possible in some systems to infer the redox state of the metal atom in question, as well as the geometry and nature of ligands connected to it, from the features in the edge in a straightforward manner. The EXAFS modulations, being produced by the backscattering of the ejected photoelectron from the atoms surrounding the metal atom, provide, when analyzed, information about the number and type of neighbouring atoms, and the distances at which they occur. In this thesis, analysis of both the edge and EXAFS regions has been used to gain information about the active sites of various metalloproteins. The metalloproteins studied were plastocyanin (Pc), laccase and nickel carbon monoxide dehydrogenase (Ni CODH). Studies of Cu(I)-imidazole compounds, related to the protein hemocyanin, are also reported here

  17. Combined EXAFS and DFT Structure Calculations Provide Structural Insights into the 1:1 Multi-Histidine Complexes of CuII, CuI and ZnII with the Tandem Octarepeats of the Mammalian Prion Protein

    Science.gov (United States)

    Pushie, M. Jake; Nienaber, Kurt H.; McDonald, Alex; Millhauser, Glenn L.; George, Graham N.

    2014-01-01

    The metal coordinating properties of the prion protein (PrP) have been the subject of intense focus and debate since the first reports of copper interaction with PrP just before the turn of the century. The picture of metal coordination to PrP has been improved and refined over the past decade, and yet the structural details of the various metal coordination modes have not been fully elucidated in some cases. Herein we employ X-ray absorption near edge spectroscopy as well as extended X-ray absorption fine structure (EXAFS) spectroscopy to structurally characterize the dominant 1:1 coordination modes for CuII, CuI and ZnII with an N-terminal fragment of PrP. The PrP fragment constitutes four tandem repeats representative of the mammalian octarepeat domain, designated OR4, which is also the most studied PrP fragment for metal interactions, making our findings applicable to a large body of previous work. Density functional theory (DFT) calculations provide additional structural and thermodynamic data, and candidate structures are used to inform EXAFS data analysis. The optimized geometries from DFT calculations are used to identify potential coordination complexes for multi-histidine coordination of CuII, CuI and ZnII in an aqueous medium, modeled using 4-methylimidazole to represent the histidine side chain. Through a combination of in silico coordination chemistry as well as rigorous EXAFS curve fitting, using full multiple scattering on candidate structures from DFT calculations, we have characterized the predominant coordination modes for the 1:1 complexes of CuII, CuI and ZnII with the OR4 peptide at pH 7.4 at atomic resolution, which are best represented as a square planar [CuII(His)4]2+, digonal [CuI(His)2]+ and tetrahedral [ZnII(His)3(OH2)]2+, respectively. PMID:25042361

  18. The influence of dissolved Si on Ni precipitate formation at the kaolinite water interface: Kinetics, DRS and EXAFS analysis.

    Science.gov (United States)

    Tan, Xiaoli; Liu, Ge; Mei, Huiyang; Fang, Ming; Ren, Xuemei; Chen, Changlun

    2017-04-01

    Unraveling the formation process of Ni precipitates at molecular scale is important for understanding the fate and mobility of Ni species in the real environment. Dissolved Si presents in the natural environment ubiquitously, which can alter Ni sorption as well as incorporation into neoformed precipitates. Batch experiments show that the dissolved Si leads to a rapid increase in the Ni sorption rate and interferes with the formation of Ni precipitates. The results of diffuse reflectance spectroscopy (DRS) and extended X-ray absorption fine structure (EXAFS) spectroscopy analyses suggest that the nucleation of a (Ni,Al) phyllosilicate phase involves a kaolinite-like local structure. Then, the substantial presence of Si affects the initial formation of Ni precipitate nucleation and the resulting crystal growth. Dioctahedral kaolinite may act as a nucleating surface for the heterogeneous formation of trioctahedral (Ni,Al) phyllosilicates under environmentally relevant conditions. This study provides experimental evidence on nucleation and epitaxial growth processes of Ni precipitate on kaolinite and provides insight on the relationship between substrates and precipitation, which is crucial for understanding the physicochemical behavior of Ni on mineral surfaces. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Utilization of synchrotron radiation in analytical chemistry. Soft X-ray emission and absorption spectroscopy

    International Nuclear Information System (INIS)

    Muramatsu, Yasuji

    2015-01-01

    Synchrotron soft X-ray spectroscopy includes three major types of spectroscopy such as X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES), and X-ray photoelectron spectroscopy (XPS). This paper takes up XAS and XES of soft X-rays, and briefly describes the principle. XAS is roughly classified into XANES (X-ray absorption near-edge structure) and EXAFS (extended X-ray absorption fine structure), and XANES is mainly used in the analysis based on XAS of soft X-rays. As the examples of the latest soft X-ray analyses, the following are introduced: (1) bandgap of boron implantation diamond and the local structure of boron, (2) catalytic sites in solid fuel cell carbon electrode, and (3) soft X-ray analysis under atmospheric pressure. (A.O.)

  20. Characterization of cryogenic materials by x-ray absorption methods

    International Nuclear Information System (INIS)

    Heald, S.M.; Tranquada, J.M.

    1985-01-01

    X-ray absorption techniques have in recent years been developed into powerful probes of the electronic and structural properties of materials difficult to study by other techniques. In particular, the extended x-ray absorption fine structure (EXAFS) technique can be applied to a variety of cryogenic materials. Three examples are used to demonstrate the power of the technique. The first is the determination of the lattice location of dilute alloying additions such as Ta and Zr in Nb 3 Sn. The Ta additions are shown to reside predominately in Nb lattice sites, while Zr is not uniquely located at either Nb or Sn sites. In addition to structural information, temperature dependent EXAFS studies can be used to determine the rms deviations of atomic bond lengths, providing information about the temperature dependence of interatomic force constants. For Nb 3 Sn deviations are found from simple harmonic behavior at low temperatures which indicate a softening of the Nb-Sn bond strength. The final example is the study of interfacial properties in thin film systems. This is accomplished by making x-ray absorption measurements under conditions of total external reflection of the incident x-rays. As some examples show, this technique has great potential for studying interfacial reactions, a process used in the fabrication of many superconducting materials

  1. New Constraints on Spatial Variations of the Fine Structure Constant from Clusters of Galaxies

    Directory of Open Access Journals (Sweden)

    Ivan De Martino

    2016-12-01

    Full Text Available We have constrained the spatial variation of the fine structure constant using multi-frequency measurements of the thermal Sunyaev-Zeldovich effect of 618 X-ray selected clusters. Although our results are not competitive with the ones from quasar absorption lines, we improved by a factor 10 and ∼2.5 previous results from Cosmic Microwave Background power spectrum and from galaxy clusters, respectively.

  2. Astronomical constraints on the cosmic evolution of the fine structure constant and possible quantum dimensions.

    Science.gov (United States)

    Carilli, C L; Menten, K M; Stocke, J T; Perlman, E; Vermeulen, R; Briggs, F; de Bruyn , A G; Conway, J; Moore, C P

    2000-12-25

    We present measurements of absorption by the 21 cm hyperfine transition of neutral hydrogen toward radio sources at substantial look-back times. These data are used in combination with observations of rotational transitions of common interstellar molecules to set limits on the evolution of the fine structure constant: alpha/ alphatheory, the limit on the secular evolution of the scale factor of the compact dimensions, R, is &Rdot/ Rbig bang, of DeltaR /R<10(-5).

  3. Collisional excitation of CH2 rotational/fine-structure levels by helium

    Science.gov (United States)

    Dagdigian, P. J.; Lique, F.

    2018-02-01

    Accurate determination of the abundance of CH2 in interstellar media relies on both radiative and collisional rate coefficients. We investigate here the rotational/fine-structure excitation of CH2 induced by collisions with He. We employ a recoupling technique to generate fine-structure-resolved cross-sections and rate coefficients from close coupling spin-free scattering calculations. The calculations are based on a recent, high-accuracy CH2-He potential energy surface computed at the coupled clusters level of theory. The collisional cross-section calculations are performed for all fine-structure transitions among the first 22 and 24 energy levels of ortho- and para-CH2, respectively, and for temperatures up to 300 K. As a first application, we simulate the excitation of CH2 in typical molecular clouds. The excitation temperatures of the CH2 lines are found to be small at typical densities of molecular clouds, showing that the non-local thermodynamic equilibrium approach has to be used to analyse interstellar spectra. We also found that the fine-structure lines connected with the 404 - 313 and 505 - 414 rotational transitions show possible maser emissions so that they can be easily seen in emission. These calculations show that CH2 may have to be detected mainly through absorption spectra.

  4. Exciton fine structure in CdSe nanoclusters

    International Nuclear Information System (INIS)

    Leung, K.; Pokrant, S.; Whaley, K.B.

    1998-01-01

    The fine structure in the CdSe nanocrystal absorption spectrum is computed by incorporating two-particle electron-hole interactions and spin-orbit coupling into a tight-binding model, with an expansion in electron-hole single-particle states. The exchange interaction and spin-orbit coupling give rise to dark, low-lying states that are predominantly triplet in character, as well as to a manifold of exciton states that are sensitive to the nanocrystal shape. Near the band gap, the exciton degeneracies are in qualitative agreement with the effective mass approximation (EMA). However, instead of the infinite lifetimes for dark states characteristic of the EMA, we obtain finite radiative lifetimes for the dark states. In particular, for the lowest, predominantly triplet, states we obtain radiative lifetimes of microseconds, in qualitative agreement with the experimental measured lifetimes. The resonant Stokes shifts obtained from the splitting between the lowest dark and bright states are also in good agreement with experimental values for larger crystallites. Higher-lying states exhibit significantly more complex behavior than predicted by EMA, due to extensive mixing of electron-hole pair states. copyright 1998 The American Physical Society

  5. Ab Initio Molecular Dynamics of Uranium Incorporated in Goethite (α-FeOOH): Interpretation of X-ray Absorption Spectroscopy of Trace Polyvalent Metals.

    Science.gov (United States)

    Kerisit, Sebastien; Bylaska, Eric J; Massey, Michael S; McBriarty, Martin E; Ilton, Eugene S

    2016-11-21

    Incorporation of economically or environmentally consequential polyvalent metals into iron (oxyhydr)oxides has applications in environmental chemistry, remediation, and materials science. A primary tool for characterizing the local coordination environment of such metals, and therefore building models to predict their behavior, is extended X-ray absorption fine structure spectroscopy (EXAFS). Accurate structural information can be lacking yet is required to constrain and inform data interpretation. In this regard, ab initio molecular dynamics (AIMD) was used to calculate the local coordination environment of minor amounts of U incorporated in the structure of goethite (α-FeOOH). U oxidation states (VI, V, and IV) and charge compensation schemes were varied. Simulated trajectories were used to calculate the U L III -edge EXAFS function and fit experimental EXAFS data for U incorporated into goethite under reducing conditions. Calculations that closely matched the U EXAFS of the well-characterized mineral uraninite (UO 2 ), and constrained the S 0 2 parameter to be 0.909, validated the approach. The results for the U-goethite system indicated that U(V) substituted for structural Fe(III) in octahedral uranate coordination. Charge balance was achieved by the loss of one structural proton coupled to addition of one electron into the solid (-1 H + , +1 e - ). The ability of AIMD to model higher energy states thermally accessible at room temperature is particularly relevant for protonated systems such as goethite, where proton transfers between adjacent octahedra had a dramatic effect on the calculated EXAFS. Vibrational effects as a function of temperature were also estimated using AIMD, allowing separate quantification of thermal and configurational disorder. In summary, coupling AIMD structural modeling and EXAFS experiments enables modeling of the redox behavior of polyvalent metals that are incorporated in conductive materials such as iron (oxyhydr)oxides, with

  6. Structural determination of individual chemical species in a mixed system by iterative transformation factor analysis-based X-ray absorption spectroscopy combined with UV-visible absorption and quantum chemical calculation.

    Science.gov (United States)

    Ikeda, Atsushi; Hennig, Christoph; Rossberg, André; Tsushima, Satoru; Scheinost, Andreas C; Bernhard, Gert

    2008-02-15

    A multitechnique approach using extended X-ray absorption fine structure (EXAFS) spectroscopy based on iterative transformation factor analysis (ITFA), UV-visible absorption spectroscopy, and density functional theory (DFT) calculations has been performed in order to investigate the speciation of uranium(VI) nitrate species in acetonitrile and to identify the complex structure of individual species in the system. UV-visible spectral titration suggests that there are four different species in the system, that is, pure solvated species, mono-, di-, and trinitrate species. The pure EXAFS spectra of these individual species are extracted by ITFA from the measured spectral mixtures on the basis of the speciation distribution profile calculated from the UV-visible data. Data analysis of the extracted EXAFS spectra, with the help of DFT calculations, reveals the most probable complex structures of the individual species. The pure solvated species corresponds to a uranyl hydrate complex with an equatorial coordination number (CNeq) of 5, [UO2(H2O)5]2+. Nitrate ions tend to coordinate to the uranyl(VI) ion in a bidentate fashion rather than a unidentate one in acetonitrile for all the nitrate species. The mononitrate species forms the complex of [UO2(H2O)3NO3]+ with a CNeq value of 5, while the di- and trinitrate species have a CNeq value of 6, corresponding to [UO2(H2O)2(NO3)2]0 (D2h) and [UO2(NO3)3]- (D3h), respectively.

  7. Distortion product otoacoustic emission fine structure of symphony orchestra musicians

    DEFF Research Database (Denmark)

    Reuter, Karen; Hammershøi, Dorte

    2006-01-01

    losses than puretone audiometry. The distortion product otoacoustic emission (DPOAE) fine structure is obtained when the ear is stimulated by dual tone stimuli using a high frequency resolution. It is characterized by quasi-periodic variations across frequency, as it can be observed in the hearing...... threshold microstructure also. In this study DPOAE fine structures and hearing thresholds are obtained for symphony orchestra musicians both for left and right ears and before and after the orchestra rehearsal. DPOAE fine structures are analyzed with an automatic classification algorithm, which describes...... the ripple pattern by parameters. A difference between left and right ears could be detected for the DPOAE level but not for the fine structure parameters. No difference between the measures taken before and after exposure could be observed....

  8. The fine-structure constant before quantum mechanics

    CERN Document Server

    Kragh, H

    2003-01-01

    This paper focuses on the early history of the fine-structure constant, largely the period until 1925. Contrary to what is generally assumed, speculations concerning the interdependence of the elementary electric charge and Planck's constant predated Arnold Sommerfeld's 1916 discussion of the dimensionless constant. This paper pays particular attention to a little known work from 1914 in which G N Lewis and E Q Adams derived what is effectively a numerical expression for the fine-structure constant.

  9. Local Structure Determination of Carbon/Nickel Ferrite Composite Nanofibers Probed by X-ray Absorption Spectroscopy.

    Science.gov (United States)

    Nilmoung, Sukunya; Kidkhunthod, Pinit; Maensiri, Santi

    2015-11-01

    Carbon/NiFe2O4 composite nanofibers have been successfully prepared by electrospinning method using a various concentration solution of Ni and Fe nitrates dispersed into polyacrylonitride (PAN) solution in N,N' dimethylformamide. The phase and mophology of PAN/NiFe2O4 composite samples were characterized and investigated by X-ray diffraction and scanning electron microscopy. The magnetic properties of the prepared samples were measured at ambient temperature by a vibrating sample magnetometer. It is found that all composite samples exhibit ferromagnetism. This could be local-structurally explained by the existed oxidation states of Ni2+ and Fe3+ in the samples. Moreover, local environments around Ni and Fe ions could be revealed by X-ray absorption spectroscopy (XAS) measurement including X-ray absorption near edge structure (XANES) and Extended X-ray absorption fine structure (EXAFS).

  10. EXAFS Energy Shift and Structural Parameters

    International Nuclear Information System (INIS)

    Kelly, Shelly D.; Ravel, Bruce

    2007-01-01

    In EXAFS analysis, the energy shift parameter is used to align the theoretical calculated spectrum to the energy grid of the measured spectrum. Unrealistically large energy shift values, sometimes in excess of 20 eV, are at times published in research articles. We therefore see the need for a concise discussion of the EXAFS energy shift parameter. This paper is intended as a learning tool for the proper alignment of theory to measured EXAFS spectra and proper interpretation of the energy shift parameter

  11. Structural investigations of LiFePO4 electrodes and in situ studies by Fe X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Deb, Aniruddha; Bergmann, Uwe; Cramer, S.P.; Cairns, Elton J.

    2005-01-01

    Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on electrodes containing LiFePO 4 to determine the local atomic and electronic structure and their stability with electrochemical cycling. A versatile electrochemical in situ cell has been constructed for long-term soft and hard X-ray experiments for the structural investigation on battery electrodes during the lithium-insertion/extraction processes. The device is used here for an X-ray absorption spectroscopic study of lithium insertion/extraction in a LiFePO 4 electrode, where the electrode contained about 7.7 mg of LiFePO 4 on a 20 μm thick Al-foil. Fe K-edge X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) have been performed on this electrode to determine the local atomic and electronic structure and their stability with electrochemical cycling. The initial state (LiFePO 4 ) showed iron to be in the Fe 2+ state corresponding to the initial state (0.0 mAh) of the cell, whereas in the delithiated state (FePO 4 ) iron was found to be in the Fe 3+ state corresponding to the final charged state (3 mAh). XANES region of the XAS spectra revealed a high spin configuration for the two states (Fe (II), d 6 and Fe (III), d 5 ). The results confirm that the olivine structure of the LiFePO 4 and FePO 4 is retained by the electrodes in agreement with the XRD observations reported previously. These results confirm that LiFePO 4 cathode material retains good structural short-range order leading to superior cycling capability

  12. Is IRAS cirrus cloud emission largely fine-structure radiation

    International Nuclear Information System (INIS)

    Harwit, M.; Houck, J.R.; Stacey, G.J.

    1986-01-01

    One of the more interesting observations made by the infrared astronomical satellite (IRAS) mission is the discovery of a diffuse 'cirrus' component seen at 60 and 100μm. It straddles the galactic plane and extends, in patches, to latitudes of +-80 0 . Comparison of the observed brightness from these clouds with [0 I] 63-μm and [O III] 88-μm fine-structure line emission, calculated on the basis of observed [C II] emission from the galactic plane, shows the flux levels observed by IRAS to be of the same order as the expected fine-structure line emission. The authors propose that fine-structure line emission, from neutral gas at 63 μm and from diffuse ionized clouds at 88μm, is a significant component and some clouds perhaps the prime source of the cirrus radiation. (author)

  13. X-RAY ABSORPTION SPECTROSCOPY OF YB3+-DOPED OPTICAL FIBERS

    Energy Technology Data Exchange (ETDEWEB)

    Citron, Robert; Kropf, A.J.

    2008-01-01

    Optical fibers doped with Ytterbium-3+ have become increasingly common in fiber lasers and amplifiers. Yb-doped fibers provide the capability to produce high power and short pulses at specific wavelengths, resulting in highly effective gain media. However, little is known about the local structure, distribution, and chemical coordination of Yb3+ in the fibers. This information is necessary to improve the manufacturing process and optical qualities of the fibers. Five fibers doped with Yb3+ were studied using Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy and X-ray Absorption Near Edge Spectroscopy (XANES), in addition to Yb3+ mapping. The Yb3+ distribution in each fiber core was mapped with 2D and 1D intensity scans, which measured X-ray fluorescence over the scan areas. Two of the five fibers examined showed highly irregular Yb3+ distributions in the core center. In four of the five fibers Yb3+ was detected outside of the given fiber core dimensions, suggesting possible Yb3+ diffusion from the core, manufacturing error, or both. X-ray absorption spectroscopy (XAS) analysis has so far proven inconclusive, but did show that the fibers had differing EXAFS spectra. The Yb3+ distribution mapping proved highly useful, but additional modeling and examination of fiber preforms must be conducted to improve XAS analysis, which has been shown to have great potential for the study of similar optical fi bers.

  14. Surface arsenic speciation of a drinking-water treatment residual using X-ray absorption spectroscopy.

    Science.gov (United States)

    Makris, Konstantinos C; Sarkar, Dibyendu; Parsons, Jason G; Datta, Rupali; Gardea-Torresdey, Jorge L

    2007-07-15

    Drinking-water treatment residuals (WTRs) present a low-cost geosorbent for As-contaminated waters and soils. Previous work has demonstrated the high affinity of WTRs for As, but data pertaining to the stability of sorbed As is missing. Sorption/desorption and X-ray absorption spectroscopy (XAS), both XANES (X-ray absorption near edge structure) and EXAFS (extended X-ray absorption fine structure) studies, were combined to determine the stability of As sorbed by an Fe-based WTR. Arsenic(V) and As(III) sorption kinetics were biphasic in nature, sorbing >90% of the initial added As (15,000 mg kg(-1)) after 48 h of reaction. Subsequent desorption experiments with a high P load (7500 mg kg(-1)) showed negligible As desorption for both As species, approximately <3.5% of sorbed As; the small amount of desorbed As was attributed to the abundance of sorption sites. XANES data showed that sorption kinetics for either As(III) or As(V) initially added to solution had no effect on the sorbed As oxidation state. EXAFS spectroscopy suggested that As added either as As(III) or as As(V) formed inner-sphere mononuclear, bidentate complexes, suggesting the stability of the sorbed As, which was further corroborated by the minimum As desorption from the Fe-WTR.

  15. Molecular environment of iodine in naturally iodinated humic substances: Insight from X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Schlegel, Michel L.; Mercier-Bion, Florence; Barre, Nicole; Reiller, Pascal; Moulin, Valerie

    2006-01-01

    The molecular environment of iodine in reference inorganic and organic compounds, and in dry humic and fulvic acids (HAs and FAs) extracted from subsurface and deep aquifers was probed by iodine L-3-edge X-ray absorption spectroscopy. The X-ray absorption near-edge structure (XANES) of iodine spectra from HAs and FAs resembled those of organic references and displayed structural features consistent with iodine forming covalent bonds with organic molecules. Simulation of XANES spectra by linear combination of reference spectra suggested the predominance of iodine forming covalent bonds to aromatic rings (aromatic-bound iodine). Comparison of extended X-ray absorption fine structure (EXAFS) spectra of reference and samples further showed that iodine was surrounded by carbon shells at distances comparable to those for references containing aromatic-bound iodine. Quantitative analysis of EXAFS spectra indicated that iodine was bound to about one carbon at a distance d(I-C) of 2.01(4)-2.04(9) angstrom, which was comparable to the distances observed for aromatic-bound iodine in references (1.99(1)-2.07(6) angstrom), and significantly shorter than that observed for aliphatic-bound iodine (2.15(2)-2.16(2) angstrom). These results are in agreement with previous conclusions from X-ray photoelectron spectroscopy and from electro-spray ionization mass spectrometry. These results collectively suggest that the aromatic-bound iodine is stable in the various aquifers of this study. (authors)

  16. Spectral fine structure effects on material and doppler reactivity worth

    International Nuclear Information System (INIS)

    Greenspan, E.; Karni, Y.

    1975-01-01

    New formulations concerning the fine structure effects on the reactivity worth of resonances are developed and conclusions are derived following the extension to more general types of perturbations which include: the removal of resonance material at finite temperatures and the temperature variation of part of the resonance material. It is concluded that the flux method can overpredict the reactivity worth of resonance materials more than anticipated. Calculations on the Doppler worth were carried out; the results can be useful for asessing the contribution of the fine structure effects to the large discrepancy that exists between the calculated and measured small sample Doppler worths. (B.G.)

  17. Fine structure of fields in 2D photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

    2006-01-01

    We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis.......We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

  18. Structure of the Hydrated Platinum(II) Ion And the Cis-Diammine-Platinum(II) Complex in Acidic Aqueous Solution: An EXAFS Study

    Energy Technology Data Exchange (ETDEWEB)

    Jalilehvand, F.; Laffin, L.J.

    2009-05-18

    Careful analysis of Pt L{sub 3}-edge extended X-ray absorption fine structure (EXAFS) spectra shows that the hydrated platinum(II) ion in acidic (HClO{sub 4}) aqueous solution binds four water molecules with the Pt-O bond distance 2.01(2) {angstrom} and one (or two) in the axial position at 2.39(2) {angstrom}. The weak axial water coordination is in accordance with the unexpectedly small activation volume previously reported for water exchange in an interchange mechanism with associative character. The hydrated cis-diammineplatinum(II) complex has a similar coordination environment with two ammine and two aqua ligands strongly bound with Pt-O/N bond distances of 2.01(2) {angstrom} and, in addition, one (or two) axial water molecule at 2.37(2) {angstrom}. This result provides a new basis for theoretical computational studies aiming to connect the function of the anticancer drug cis-platin to its ligand exchange reactions, where usually four-coordinated square planar platinum(II) species are considered as the reactant and product. {sup 195}Pt NMR spectroscopy has been used to characterize the Pt(II) complexes.

  19. Evidence for the Presence of Colloidal Metacinnabar in Mercury-DOM-Sulfide Systems as Determined by a Chromatographic-EXAFS Method

    Science.gov (United States)

    Gerbig, C. A.; Kim, C. S.; Moreau, J. W.; Aiken, G. R.; Krabbenhoft, D. P.; Nagy, K. L.; Ryan, J. N.

    2008-12-01

    Mercury speciation and bioavailability is frequently thought to be controlled by the presence of dissolved organic matter (DOM) and sulfide. However, the speciation of mercury in these systems is poorly understood due to the complex interactions of mercury, DOM, and sulfide. We have developed a combined chromatographic-extended x-ray absorption fine structure (EXAFS) spectroscopy approach to determine the speciation of the hydrophobic fraction of mercury species in both sulfide-free and sulfide-rich (100 μM) experimental systems that also contain dissolved organic matter isolated from several locations, including the Florida Everglades. Chromatographic experiments were carried out with and without sulfide at varied mercury concentrations ranging from 0.1 nM to 1 μM in the presence of 10 mg L-1 DOM. The method consists of equilibrating the mercury-DOM with or without sulfide for 20 h (pH 6.5, I 0.1M) followed by chromatographic fractionation and concentration on a small column of C18 resin. Greater than 80% of the mercury in all solutions was found to be hydrophobic with respect to the resin when the mercury was interacting with the strong-binding DOM sites. The chromatographic behavior of solutions with and without sulfide was distinctly different. Sulfide-free mercury-DOM systems exhibited typical chromatographic behavior exemplified by resin saturation and subsequent breakthrough of mercury species. The sulfide-rich system exhibited very high resin affinity for almost all mercury species in solution and no apparent breakthrough, regardless of the ratio of mercury to DOM. Similar chromatographic experiments were carried out with and without sulfide at mercury concentrations as low as 250 nM and a DOM concentration of 50 mg L-1. EXAFS spectroscopy at the mercury LIII edge clearly showed spectra consistent with metacinnabar (HgS) as the dominant form of mercury adsorbed to the resin under sulfidic conditions despite the fact that no bulk precipitation was observed

  20. Interaction of Zn(II) with hematite nanoparticles and microparticles: Part 2. ATR-FTIR and EXAFS study of the aqueous Zn(II)/oxalate/hematite ternary system.

    Science.gov (United States)

    Ha, Juyoung; Trainor, Thomas P; Farges, François; Brown, Gordon E

    2009-05-19

    Sorption of Zn(II) to hematite nanoparticles (HN) (av diam=10.5 nm) and microparticles (HM) (av diam=550 nm) was studied in the presence of oxalate anions (Ox2-(aq)) in aqueous solutions as a function of total Zn(II)(aq) to total Ox2-(aq) concentration ratio (R=[Zn(II)(aq)]tot/[Ox2-(aq)]tot) at pH 5.5. Zn(II) uptake is similar in extent for both the Zn(II)/Ox/HN and Zn(II)/Ox/HM ternary systems and the Zn(II)/HN binary system at [Zn(II)(aq)](tot)system than for the Zn(II)/Ox/HM ternary and the Zn(II)/HN and Zn(II)/HM binary systems at [Zn(II)(aq)]tot>4 mM. In contrast, Zn(II) uptake for the Zn(II)/HM binary system is a factor of 2 greater than that for the Zn(II)/Ox/HM and Zn(II)/Ox/HN ternary systems and the Zn(II)/HN binary system at [Zn(II)(aq)]totternary system at both R values examined (0.16 and 0.68), attenuated total reflectance Fourier transform infrared (ATR-FTIR) results are consistent with the presence of inner-sphere oxalate complexes and outer-sphere ZnOx(aq) complexes, and/or type A ternary complexes. In addition, extended X-ray absorption fine structure (EXAFS) spectroscopic results suggest that type A ternary surface complexes (i.e., >O2-Zn-Ox) are present. In the Zn(II)/Ox/HN ternary system at R=0.15, ATR-FTIR results indicate the presence of inner-sphere oxalate and outer-sphere ZnOx(aq) complexes; the EXAFS results provide no evidence for inner-sphere Zn(II) complexes or type A ternary complexes. In contrast, ATR-FTIR results for the Zn/Ox/HN sample with R = 0.68 are consistent with a ZnOx(s)-like surface precipitate and possibly type B ternary surface complexes (i.e., >O2-Ox-Zn). EXAFS results are also consistent with the presence of ZnOx(s)-like precipitates. We ascribe the observed increase of Zn(II)(aq) uptake in the Zn(II)/Ox/HN ternary system at [Zn(II)(aq)]tot>or=4 mM relative to the Zn(II)/Ox/HM ternary system to formation of a ZnOx(s)-like precipitate at the hematite nanoparticle/water interface.

  1. Dynamics of fine structure in the solar chromosphere

    NARCIS (Netherlands)

    Wijn, A.G. de

    2006-01-01

    This thesis is concerned with the dynamics of fine structure of the solar chromosphere and transition region, in both quiet sun and active regions. It contains six chapters of observational studies. It presents a study on the spatial structure and temporal dynamics of reversed granulation; a study

  2. XANES, EXAFS and Kbeta spectroscopic studies of the oxygen-evolving complex in Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Robblee, John Henry [Univ. of California, Berkeley, CA (United States)

    2000-12-01

    A key question for the understanding of photosynthetic water oxidation is whether the four oxidizing equivalents necessary to oxidize water to dioxygen are accumulated on the four Mn ions of the oxygen evolving complex (OEC), or whether some ligand-centered oxidations take place before the formation and release of dioxygen during the S3 → [S4] → S0 transition. Progress in instrumentation and flash sample preparation allowed us to apply Mn Kβ X-ray emission spectroscopy (Kb XES) to this problem for the first time. The Kβ XES results, in combination with Mn X-ray absorption near-edge structure (XANES) and electron paramagnetic resonance (EPR) data obtained from the same set of samples, show that the S2 → S3 transition, in contrast to the S0 → S1 and S1 → S2 transitions, does not involve a Mn-centered oxidation. This is rationalized by manganese μ-oxo bridge radical formation during the S2 → S3 transition. Using extended X-ray absorption fine structure (EXAFS) spectroscopy, the local environment of the Mn atoms in the S0 state has been structurally characterized. These results show that the Mn-Mn distance in one of the di-μ-oxo-bridged Mn-Mn moieties increases from 2.7 Å in the S1} state to 2.85 Å in the S0 state. Furthermore, evidence is presented that shows three di-μ-oxo binuclear Mn2 clusters may be present in the OEC, which is contrary to the widely held theory that two such clusters are present in the OEC. The EPR properties of the S0 state have been investigated and a characteristic ''multiline'' signal in the S0 state has been discovered in the presence of methanol. This provides the first direct confirmation that the native S0 state is paramagnetic. In addition, this signal was simulated using parameters derived from three

  3. Fischer-Tropsch synthesis: study of the promotion of Pt on the reduction property of Co/Al2O3 catalysts by in situ EXAFS of Co K and Pt LIII edges and XPS

    International Nuclear Information System (INIS)

    Jacobs, G.; Chaney, J.A.; Patterson, P.M.; Das, T.K.; Maillot, J.C.; Davis, B.H.

    2004-01-01

    The addition of platinum metal to cobalt/alumina-based Fischer-Tropsch synthesis (FTS) catalysts increases both the reduction rate and, consequently, the density of active cobalt sites. Platinum also lowers the temperature of the two-step conversion of cobalt oxide to cobalt metal observed in temperature programmed reduction (TPR) as Co 3 O 4 to CoO and CoO to Co 0 . The interaction of the alumina support with cobalt oxide ultimately determines the active site density of the catalyst surface. This interaction can be controlled by varying the cobalt loading and dispersion, selecting supports with differing surface areas or pore sizes, or changing the noble metal promoter. However, the active site density is observed to depend primarily on the cluster size and extent of reduction, and there is a direct relationship between site density and FTS rate. In this work, in situ extended X-ray absorption fine structure (EXAFS) at the L III edge of Pt was used to show that isolated Pt atoms interact with supported cobalt clusters without forming observable Pt-Pt bonds. K-edge EXAFS was also used to verify that the cobalt cluster size increases slightly for those systems with Pt promotion. X-ray absorption near-edge spectroscopy (XANES) was used to examine the remaining cobalt clusters after the first stage of TPR, and it revealed that the species were almost entirely cobalt (II) oxide. After the second stage of TPR to form cobalt metal, a residual oxide persists in the sample, and this oxide has been identified as cobalt (II) aluminate using X-ray photoelectron spectroscopy (XPS). Sequential in situ reduction of promoted and unpromoted systems was also monitored through XPS, and Pt was seen to increase the extent of cobalt reduction by a factor of two. (orig.)

  4. Structural studies using X-ray absorption and scattering techniques

    International Nuclear Information System (INIS)

    Ericson, Agneta.

    1989-01-01

    The thesis presents extended X-ray absorption fine structure, EXAFS, and large angle X-ray scattering, LAXS, techniques; instrumentation, data collection and reduction, and applications. These techniques have been used to determine the structures of magnesium halides and organomagnesium halides in diethyl ether and tetrahydrofuran solution. The iodides were used for the LAXS measurements and Br K edge EXAFS data were collected for the corresponding bromides. Two different complexes are present in the diethyl ether solution of magnesium iodide; a polymeric chain-type structure where magnesium is tetrahedrally coordinated, as well as dimeric complex with octahedrally coordinated magnesium. Solvated MgI + is the dominating species in tetrahydrofuran solution. The organomagnesium halides are present in diethyl ether solution as both solvated monomeric and dimeric complexes. Magnesium coordinates a halide ion, an alkyl or aryl group and four solvent molecules octahedrally in the monomeric complex. In the dimeric complex magnesium is octahedrally coordinated by two bridging halide ions, an alkyl or aryl group and three solvent molecules. The distribution of monomeric and dimeric complexes in various solutions are given by a dimerisation constant, K dl . The results indicate that the Schlenk equilibrium is present in these solutions, however, in an extended form. In diethyl ether solution, where MgX 2 does not dissociate, no MgX 2 complex and thereby no Schlenk equilibrium has been observed. In tetrahydrofuran solution MgI 2 has dissociated into mainly MgI + and I - . This indicates that the concentration of MgI 2 is low and that the Schlenk equilibrium should be expanded even further to include the dissociation equilibrium of the magnesium halide. In the thesis Fe K edge EXAFS data collected for the semireduced form of protein A of methane monooxygenase from Methylococcus capsulatus, are also presented. (139 refs.)

  5. Morphology, stability, and X-ray absorption spectroscopic study of iron oxide (Hematite) nanoparticles prepared by micelle nanolithography

    Science.gov (United States)

    Bera, Anupam; Bhattacharya, Atanu; Tiwari, N.; Jha, S. N.; Bhattacharyya, D.

    2018-03-01

    Currently, considerable effort is being made towards synthesis and characterization of iron oxide nanoparticles. In this article, we report on the preparation and characterization of iron oxide nanoparticle (NP) arrays supported on natively oxidized Si(100) surface. The NPs are synthesized by reverse micelle nanolithography technique and are then deposited onto natively oxidized Si(100) surface via spin-coating. Plasma oxidation followed by high temperature annealing results in a unimodal size distribution of pseudohexagonally-ordered array of iron oxide NPs (with ∼14 nm mean diameter and ∼5 nm mean height). High temperature annealing does not fragment the NPs. Particles are sinter-resistant: the unimodal arrays are robust with respect to thermal treatment. X-ray absorption spectroscopy (XAS), including X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS), reveals that structure of the iron oxide particle resembles closely the hematite α-Fe2O3 structure. Furthermore, with the help of EXAFS spectra, we eliminate the possibility of γ-Fe2O3, Fe3O4, FeO and FeO(OH) structures for the NPs.

  6. X-ray absorption at the L2,3 edge of an anisotropic single crystal: Cadmium (0001)

    International Nuclear Information System (INIS)

    Le Fevre, P.; Magnan, H.; Chandesris, D.

    1996-01-01

    Surface extended x-ray-absorption fine structure (EXAFS) is a very powerful technique for the crystallographic characterization of adsorbed atoms, layers, and thin films. The linear polarization of the synchrotron radiation is used to infer direct information about the crystallographic anisotropy of these systems. For the K absorption edge, the polarization dependence of the EXAFS signal is simple: the contribution of each bond is weighted by a factor cos 2 θ, where θ is the angle between the direction of the bond and the linear polarization of the x rays. For L 2,3 absorption edges, the polarization dependence is more complicated, since the initial p state can be excited to a final state of s or d symmetry. The angular dependences of these two terms are strongly different. We show here, with a study on a bulk anisotropic system, cadmium, that the two terms have to be considered and that neglecting the p to s transitions in the analysis of angular-dependent spectra leads to errors in bond-length determination as high as 0.1 A. copyright 1996 The American Physical Society

  7. Double fine structure in the cluster radioactivity of 252Cf

    International Nuclear Information System (INIS)

    Dumitrescu, O.; Bulboaca, I.; Carstoiu, F.; Sandulescu, A.

    1995-07-01

    Within the one level R - matrix approach the relative intensities in the double fine structure of several radioactive decays of 252 Cf → 146 Ba + 106 Mo fission channel are calculated and compared with the experimental data. The internal wave functions are supposed to be given by the Wigner D -functions. The relative motion wave functions are calculated from a nucleus -nucleus double - folding model potential obtained with the M3Y interaction. (author). 83 refs, 3 figs

  8. Spin Equilibria in Monomeric Manganocenes: Solid State Magnetic and EXAFS Studies

    Energy Technology Data Exchange (ETDEWEB)

    Walter, M. D.; Sofield, C. D.; Booth, C. H.; Andersen, R. A.

    2009-02-09

    Magnetic susceptibility measurements and X-ray data confirm that tert-butyl-substituted manganocenes [(Me{sub 3}C){sub n}C{sub 5}H{sub 5?n}]{sub 2}Mn (n = 1, 2) follow the trend previously observed with the methylated manganocenes; that is, electron-donating groups attached to the Cp ring stabilize the low-spin (LS) electronic ground state relative to Cp{sub 2}Mn and exhibit higher spin-crossover (SCO) temperatures. However, introducing three CMe{sub 3} groups on each ring gives a temperature-invariant high-spin (HS) state manganocene. The origin of the high-spin state in [1,2,4-(Me{sub 3}C){sub 3}C{sub 5}H{sub 2}]{sub 2}Mn is due to the significant bulk of the [1,2,4-(Me{sub 3}C){sub 3}C{sub 5}H{sub 2}]{sup -} ligand, which is sufficient to generate severe inter-ring steric strain that prevents the realization of the low-spin state. Interestingly, the spin transition in [1,3-(Me{sub 3}C){sub 2}C{sub 5}H{sub 3}]{sub 2}Mn is accompanied by a phase transition resulting in a significant irreversible hysteresis ({Delta}T{sub c} = 16 K). This structural transition was also observed by extended X-ray absorption fine-structure (EXAFS) measurements. Magnetic susceptibility studies and X-ray diffraction data on SiMe{sub 3}-substituted manganocenes [(Me{sub 3}Si){sub n}C{sub 5}H{sub 5-n}]{sub 2}Mn (n = 1, 2, 3) show high-spin configurations in these cases. Although tetra- and hexasubstituted manganocenes are high-spin at all accessible temperatures, the disubstituted manganocenes exhibit a small low-spin admixture at low temperature. In this respect it behaves similarly to [(Me{sub 3}C)(Me{sub 3}Si)C{sub 5}H{sub 3}]{sub 2}Mn, which has a constant low-spin admixture up to 90 K and then gradually converts to high-spin. Thermal spin-trapping can be observed for [(Me{sub 3}C)(Me{sub 3}Si)C{sub 5}H{sub 3}]{sub 2}Mn on rapid cooling.

  9. Zinc adsorption on clays inferred from atomistic simulations and EXAFS spectroscopy

    International Nuclear Information System (INIS)

    Churakov, S.V.; Daehn, R.

    2012-01-01

    Document available in extended abstract form only. Clay minerals such as illite and montmorillonite are ubiquitous in the environment. Because of their large specific area and high structural charge, they control the migration of heavy metals in the geosphere via different uptake mechanisms. The main processes for the sequestration of trace concentrations of heavy metals are sorption to clay edge sites and incorporation into clay structures. Whereas, sorption is a fast process occurring nearly instantaneously, the incorporation of metal ions into clay minerals occurs over geological time scales. Zn is a divalent transition metal, which shows similar chemical behavior to Ni and Co and can thus also be considered as a natural analogue for radioactive Ni and Co arising from nuclear fuel and radioactive waste from the decommissioning of nuclear power plants. The release of radionuclides from a repository can be considerably retarded due to interactions with clay minerals. For example, bentonite containing >70 wt% di-octahedral alumino-silicate clays is foreseen as a backfill material in the Swiss concept for a high level radioactive waste repository (NAGRA, 2002). Knowing the uptake mechanism of these elements on clays can help to protect the natural environment. In this study ab initio molecular dynamics (MD) calculations were applied to simulate the molecular mechanism of Zn uptake on the edge surfaces of montmorillonite, a di-octahedral clay, and to explain the measured K-edge extended X-ray absorption fine structure (EXAFS) spectra of Zn adsorbed on montmorillonite at different loadings. Two different montmorillonites were chosen for the experimental part of this study: Milos (Island of Milos, Greece) and STx-1 (Gonzales County, Texas, USA) (VANTELON et al., 2003). As a reference for Zn substituted for Al in the clay octahedral sheet a MILOS sample was prepared without adding any Zn. Milos was chosen because it contains 1.8 [mmol/kg] Zn incorporated into the

  10. XRD and EXAFS studies on the structure of Er{sup 3+}-doped SiO{sub 2}-HfO{sub 2} glass-ceramic waveguides: Er{sup 3+}-activated HfO{sub 2} nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Afify, N D; Dalba, G [Dipartimento di Fisica, Universita di Trento, Via Sommarive 14, I-38123 Povo (Trento) (Italy); Rocca, F [IFN-CNR, Istituto di Fotonica e Nanotecnologie del Consiglio Nazionale delle Ricerche, Sezione ' FBK-CeFSA' di Trento, Via alla Cascata 56/C, I-38123 Povo (Trento) (Italy)], E-mail: rocca@science.unitn.it

    2009-06-07

    This paper describes the structure of Er{sup 3+}-doped SiO{sub 2}-HfO{sub 2} waveguides containing nanocrystals of HfO{sub 2}. Pure and 1 mol% Er{sup 3+}-doped 70SiO{sub 2}-30HfO{sub 2} films were deposited by the sol-gel method on amorphous SiO{sub 2} substrates using the dip-coating technique. Each waveguide has experienced a single thermal treatment at temperatures ranging from 900 to 1200 deg. C, for either short (30 min) or long (24 h) durations. Crystallization and microstructure were studied by x-ray diffraction (XRD). The local environments of hafnium and erbium ions were determined, respectively, from Hf and Er L{sub 3}-edges extended x-ray absorption fine structure (EXAFS) experiments. Both XRD and EXAFS results demonstrate the substitution of Hf{sup 4+} by Er{sup 3+} ions in the crystalline structure. XRD shows the nucleation of tetragonal HfO{sub 2} nanocrystals after heat treatment at 1000 deg. C for 30 min in the pure waveguide, and at 900 deg. C for 24 h in the waveguide doped with Er{sup 3+}. In both series, partial transformation from tetragonal to monoclinic HfO{sub 2} nanocrystals starts after heat treatment at 1100 deg. C for 24 h. The average crystallite size and size distribution can be controlled by thermal annealing temperature and duration, respectively, with brief treatment yielding a more homogeneous nanocrystal size.

  11. Laboratory EXAFS Spectrometer, Principles and Applications

    NARCIS (Netherlands)

    Koningsberger, D.C.; Kampers, F.W.H.; Duivenvoorden, F.B.M.; Zon, J.B.A.D. van; Brinkgreve, P.; Viegers, M.P.A.

    1985-01-01

    In order to be independent of poor availability of synchrotron beamtime a laboratory EXAFS spectrometer has been developed. The X-ray source is a rotating anode generator (max. voltage 60 kV, max. current 300 mA). Monochromatisation and focusing is done with a linear spectrometer, based upon the

  12. Topological Quantization in Units of the Fine Structure Constant

    Energy Technology Data Exchange (ETDEWEB)

    Maciejko, Joseph; /Stanford U., Phys. Dept. /Stanford U., Materials Sci. Dept. /SLAC; Qi, Xiao-Liang; /Station Q, UCSB /Stanford U., Phys. Dept. /Stanford U., Materials Sci. Dept. /SLAC; Drew, H.Dennis; /Maryland U.; Zhang, Shou-Cheng; /Stanford U., Phys. Dept. /Stanford U., Materials Sci. Dept. /SLAC

    2011-11-11

    Fundamental topological phenomena in condensed matter physics are associated with a quantized electromagnetic response in units of fundamental constants. Recently, it has been predicted theoretically that the time-reversal invariant topological insulator in three dimensions exhibits a topological magnetoelectric effect quantized in units of the fine structure constant {alpha} = e{sup 2}/{h_bar}c. In this Letter, we propose an optical experiment to directly measure this topological quantization phenomenon, independent of material details. Our proposal also provides a way to measure the half-quantized Hall conductances on the two surfaces of the topological insulator independently of each other.

  13. Distortion product otoacoustic emission fine structure of symphony orchestra musicians

    DEFF Research Database (Denmark)

    Reuter, Karen; Hammershøi, Dorte

    2006-01-01

    Otoacoustic emissions (OAE) are sounds produced by the healthy inner ear. They can be measured as low-level signals in the ear canal and are used to monitor the functioning of outer hair cells. Many studies indicate that OAE might be a more sensitive measure to detect early noise-induced haring...... losses than pure-tone audiometry. The distortion product otoacoustic emission (DPOAE) fine structure is obtained when the ear is stiumulated by dual tone stimuli using a high frequency resolution. It is characterized by quasi-periodic variations across frequency, as it can be observed in the hearing...

  14. Fine structures in hearing thresholds and distortion product otoacoustic emissions

    DEFF Research Database (Denmark)

    Hammershøi, Dorte; Ordoñez, Rodrigo Pizarro; Torrente, Marina

    2010-01-01

    . Distortion product OAEs (DPOAES) are generated in response to a two-tone external stimulus with frequencies f1 and f2. One of the strongest DPOAEs is the component at 2f1-f2. This component is elicited on the basilar membrane in the overlap region of the f1 and f2, close to the f2 place (depending...... of these two components. The result is characterized by a distinct fine structure pattern, and generally doesn't directly reflect the status of the hearing at one point on the basilar membrane. The behavioral threshold, on the other hand, is more directly related to given points along the basilar membrane...

  15. New Tests for Variations of the Fine Structure Constant

    Science.gov (United States)

    Prestage, John D.

    1995-01-01

    We describe a new test for possible variations of the fine structure constant, by comparisons of rates between clocks based on hyperfine transitions in alkali atomos with different atomic number Z. H- maser, Cs and Hg+ clocks have a different dependence on ia relativistic contributions of order (Z. Recent H-maser vs Hg+ clock comparison data improves laboratory limits on a time variation by 100-fold to giveFuture laser cooled clocks (Be+, Rb, Cs, Hg+, etc.), when compared, will yield the most senstive of all tests for.

  16. A structural study of bone changes in knee osteoarthritis by synchrotron-based X-ray fluorescence and X-ray absorption spectroscopy techniques

    Science.gov (United States)

    Sindhupakorn, Bura; Thienpratharn, Suwittaya; Kidkhunthod, Pinit

    2017-10-01

    Osteoarthritis (OA) is characterized by degeneration of articular cartilage and thickening of subchondral bone. The present study investigated the changing of biochemical components of cartilage and bone compared between normal and OA people. Using Synchrotron-based X-ray fluorescence (SR-XRF) and X-ray absorption spectroscopy (XAS) techniquesincluding X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) were employed for the bone changes in kneeosteoarthritisstudies. The bone samples were collected from various osteoarthritis patients with both male and female in the ages range between 20 and 74 years old. SR-XRF results excited at 4240 eV for Ca elements show a majority three main groups, based on their XRF intensities, 20-36 years, 40-60 years and over 70 years, respectively. By employing XAS techniques, XANES features can be used to clearly explain in term of electronic transitions occurring in bone samples which are affected from osteoarthritis symptoms. Moreover, a structural change around Ca ions in bone samples is obviously obtained by EXAFS results indicating an increase of Ca-amorphous phase when the ages increase.

  17. Pt and Ru X-ray absorption spectroscopy of PtRu anode catalysts in operating direct methanol fuel cells.

    Science.gov (United States)

    Stoupin, Stanislav; Chung, Eun-Hyuk; Chattopadhyay, Soma; Segre, Carlo U; Smotkin, Eugene S

    2006-05-25

    In situ X-ray absorption spectroscopy, ex situ X-ray fluorescence, and X-ray powder diffraction enabled detailed core analysis of phase segregated nanostructured PtRu anode catalysts in an operating direct methanol fuel cell (DMFC). No change in the core structures of the phase segregated catalyst was observed as the potential traversed the current onset potential of the DMFC. The methodology was exemplified using a Johnson Matthey unsupported PtRu (1:1) anode catalyst incorporated into a DMFC membrane electrode assembly. During DMFC operation the catalyst is essentially metallic with half of the Ru incorporated into a face-centered cubic (FCC) Pt alloy lattice and the remaining half in an amorphous phase. The extended X-ray absorption fine structure (EXAFS) analysis suggests that the FCC lattice is not fully disordered. The EXAFS indicates that the Ru-O bond lengths were significantly shorter than those reported for Ru-O of ruthenium oxides, suggesting that the phases in which the Ru resides in the catalysts are not similar to oxides.

  18. Diffraction anomalous fine-structure study of strained Ga1-xInxAs on GaAs(001)

    International Nuclear Information System (INIS)

    Woicik, J.C.; Cross, J.O.; Bouldin, C.E.; Ravel, B.; Pellegrino, J.G.; Steiner, B.; Bompadre, S.G.; Sorensen, L.B.; Miyano, K.E.; Kirkland, J.P.

    1998-01-01

    Diffraction anomalous fine-structure measurements performed at both the Ga and As K edges have determined the Ga-As bond length to be 2.442±0.005thinsp Angstrom in a buried, 213-Angstrom-thick Ga 0.785 In 0.215 As layer grown coherently on GaAs(001). This bond length corresponds to a strain-induced contraction of 0.013±0.005thinsp Angstrom relative to the Ga-As bond length in bulk Ga 1-x In x As of the same composition. Together with recent extended x-ray-absorption fine-structure measurements performed at the In K edge [Woicik et al., Phys. Rev. Lett. 79, 5026 (1997)], excellent agreement is found with the uniform bond-length distortion model for strained-layer semiconductors on (001) substrates. copyright 1998 The American Physical Society

  19. Measurement of the fine structure in 33P helium

    International Nuclear Information System (INIS)

    Yang, D.

    1985-01-01

    The author measured two positions of the Zeeman level crossing between the (J,M) = (2,2) and (0,0) and between the (J,M) = (1,1) and (0,0) sublevels of the 3 3 P state in helium. The zero field fine structure splittings were calculated from these two measured values. These splittings are of interest for a precision test of quantum electrodynamics and giving an independent contribution to fine structure constant determination. This experiment uses time resolved level crossing spectroscopy. A pulsed beam of helium 2 3 S metastables is excited by a pulse of 388.9 nm dye laser light to the 3 3 P state in a dc magnetic field interaction region. After a certain delay time, a 532 nm laser pulse ionizes the atoms from the 3 3 P state. The photoelectrons are detected by a microchannel plate. The magnetic field is in the z direction, while the atomic beam and the two laser beams are in the xy plane. These two laser beams couterpropagate at a 45 0 angle for the atomic beam for convenience. The photoionization signal is recorded as a function of magnetic field near each of the two crossing positions. Results for these two crossing positions are in agreement with, but more precise than, the previously reported results

  20. QED Based Calculation of the Fine Structure Constant

    Energy Technology Data Exchange (ETDEWEB)

    Lestone, John Paul [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-10-13

    Quantum electrodynamics is complex and its associated mathematics can appear overwhelming for those not trained in this field. Here, semi-classical approaches are used to obtain a more intuitive feel for what causes electrostatics, and the anomalous magnetic moment of the electron. These intuitive arguments lead to a possible answer to the question of the nature of charge. Virtual photons, with a reduced wavelength of λ, are assumed to interact with isolated electrons with a cross section of πλ2. This interaction is assumed to generate time-reversed virtual photons that are capable of seeking out and interacting with other electrons. This exchange of virtual photons between particles is assumed to generate and define the strength of electromagnetism. With the inclusion of near-field effects the model presented here gives a fine structure constant of ~1/137 and an anomalous magnetic moment of the electron of ~0.00116. These calculations support the possibility that near-field corrections are the key to understanding the numerical value of the dimensionless fine structure constant.

  1. Black Holes and Quantum Theory: The Fine Structure Constant Connection

    Directory of Open Access Journals (Sweden)

    Cahill R. T.

    2006-10-01

    Full Text Available The new dynamical theory of space is further confirmed by showing that the effective “black hole” masses M BH in 19 spherical star systems, from globular clusters to galaxies, with masses M , satisfy the prediction that M BH = α 2 M , where α is the fine structure constant. As well the necessary and unique generalisations of the Schr ̈ odinger and Dirac equations permit the first derivation of gravity from a deeper theory, showing that gravity is a quantum effect of quantum matter interacting with the dynamical space. As well the necessary generalisation of Maxwell’s equations displays the observed light bending effects. Finally it is shown from the generalised Dirac equation where the spacetime mathematical formalism, and the accompanying geodesic prescription for matter trajectories, comes from. The new theory of space is non-local and we see many parallels between this and quantum theory, in addition to the fine structure constant manifesting in both, so supporting the argument that space is a quantum foam system, as implied by the deeper information-theoretic theory known as Process Physics. The spatial dynamics also provides an explanation for the “dark matter” effect and as well the non-locality of the dynamics provides a mechanism for generating the uniformity of the universe, so explaining the cosmological horizon problem.

  2. X-ray absorption study of the CuO sub 2 plane in Nd sub 2 sub - sub x Ce sub x CuO sub 4 sub - subdelta

    CERN Document Server

    Ignatov, A Y; Chernov, V A; Ivanov, A A

    2000-01-01

    The local structure of the CuO sub 2 planes in Nd sub 2 sub - sub x Ce sub x CuO sub 4 sub - subdelta (x=0, 0.15; delta approx 0.01) has been examined by temperature-dependent Cu K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy. Three different Cu-O distances can be extracted up to at least 100 K, indicating that the atomic structure of the CuO sub 2 planes deviates from the T' structure much more than it was expected. Positions of the displaced O1 atoms for x=0.15 were obtained from comparative analysis of the experimental and calculated polarized Cu K-edge X-ray absorption near-edge structure, taking into account many-body excitations in the CuO sub 2 planes.

  3. Constraints on a possible variation of the fine structure constant from galaxy cluster data

    Energy Technology Data Exchange (ETDEWEB)

    Holanda, R.F.L. [Departamento de Física, Universidade Estadual da Paraíba, 58429-500, Campina Grande – PB (Brazil); Landau, S.J.; Sánchez G, I.E. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, and IFIBA, CONICET, Ciudad Universitaria – PabI, Buenos Aires 1428 (Argentina); Alcaniz, J.S. [Departamento de Astronomia, Observatório Nacional, 20921-400, Rio de Janeiro – RJ (Brazil); Busti, V.C., E-mail: holanda@uepb.edu.br, E-mail: slandau@df.uba.ar, E-mail: alcaniz@on.br, E-mail: isg.cos@gmail.com, E-mail: vinicius.busti@astro.iag.usp.br [Departamento de Física Matemática, Instituto de Física, Universidade de São Paulo, CP 66318, 05508-090, São Paulo – SP (Brazil)

    2016-05-01

    We propose a new method to probe a possible time evolution of the fine structure constant α from X-ray and Sunyaev-Zel'dovich measurements of the gas mass fraction ( f {sub gas}) in galaxy clusters. Taking into account a direct relation between variations of α and violations of the distance-duality relation, we discuss constraints on α for a class of dilaton runaway models. Although not yet competitive with bounds from high- z quasar absorption systems, our constraints, considering a sample of 29 measurements of f {sub gas}, in the redshift interval 0.14 < z < 0.89, provide an independent estimate of α variation at low and intermediate redshifts. Furthermore, current and planned surveys will provide a larger amount of data and thus allow to improve the limits on α variation obtained in the present analysis.

  4. The structural analysis of zinc borate glass by laboratory EXAFS and X-ray diffraction measurements

    International Nuclear Information System (INIS)

    Kajinami, Akihiko; Harada, Yasushi; Inoue, Shinsuke; Deki, Shigehito; Umesaki, Norimasa

    1999-01-01

    The structure of zinc borate glass has been investigated by laboratory EXAFS and X-ray diffraction measurement as preliminary investigations for the detailed study in SPring-8. The zinc borate glass was prepared in the range from 40 to 65 mol% of zinc oxide content. The X-ray diffraction was measured by horizontal θ-θ goniometer with 60 kV and 300 mA output of Mo target. The EXAFS of zinc borate glass was measured by laboratory EXAFS system with 20 kV, 100 mA output of Mo target for the K absorption edge of zinc atom. From the X-ray diffraction and the EXAFS measurements, it is found that the zinc ion is surrounded by four oxygen atoms and formed a tetrahedral structure whose (Zn-O) distance is about 2 A and that the structure is unchanged with the zinc oxide content. The diffraction data show that the neighboring structure of boron atom transforms from BO 4 tetrahedra to BO 3 tetragonal planar structure with increasing of the zinc oxide content. (author)

  5. Local structural changes in paramagnetic and charge-ordered phases of Sm0.2Pr0.3Sr0.5MnO3: an EXAFS study

    International Nuclear Information System (INIS)

    Priolkar, K R; Kulkarni, Vishwajeet; Sarode, P R; Emura, S

    2008-01-01

    Sm 0.5-x Pr x Sr 0.5 MnO 3 exhibits a variety of ground states as x is varied from 0 to 0.5. At an intermediate doping of x = 0.3 a charge-ordered CE-type antiferromagnetic insulating (AFI) ground state is seen. The transition to this ground state is from a paramagnetic-insulating (PMI) phase through a ferromagnetic-metallic phase (FMM). Local structures in PMI and AFI phases of the x = 0.3 sample have been investigated using Pr K-edge and Sm K-edge extended x-ray absorption fine structure (EXAFS). It can be seen that the tilting and rotation of the MnO 6 octahedra about the b-axis are responsible for the charge-ordered CE-type antiferromagnetic ground state at low temperatures. In addition a shift in the position of the rare-earth ion along the c-axis has to be considered to account for observed distribution of bond distances around the rare-earth ion

  6. Study of temperature dependent local structure by polarized Cu K-edge EXAFS measurements on La sub 2 sub - sub x Sr sub x CuO sub 4 (x=0.105, 0.13, 0.20)

    CERN Document Server

    Saini, N L; Bianconi, A; Oyanagi, H; Ito, T; Oka, K

    2003-01-01

    We have studied temperature dependent local structure of superconducting La sub 2 sub - sub x Sr sub x CuO sub 4 (0.105, 0.13, 0.20) single crystals by Cu K-edge extended x-ray absorption fine structure (EXAFS) measurements with polarization parallel to the in-plane Cu-O bonds. We find that, while underdoped crystals (x=0.105, 0.13) show anomalous temperature dependence, similar to the case of optimally doped system (x=0.15), overdoped crystal (x=0.20) does not reveal such anomaly. Correlated Debye-Waller factor (DWF) of the Cu-O bonds (distance broadening) has been used as an order parameter to determine characteristic local displacements in the CuO sub 2 plane. The amplitude of temperature dependent step-like increase in the DWF at low temperature decreases with increasing doping. It has been discussed that decreasing electron-lattice interaction with increasing doping, shown by angle resolved photoemission measurements, is closely related to the evolving anomalous local CuO sub 2 distortion and charge inho...

  7. Imaging spectroscopy of solar radio burst fine structures.

    Science.gov (United States)

    Kontar, E P; Yu, S; Kuznetsov, A A; Emslie, A G; Alcock, B; Jeffrey, N L S; Melnik, V N; Bian, N H; Subramanian, P

    2017-11-15

    Solar radio observations provide a unique diagnostic of the outer solar atmosphere. However, the inhomogeneous turbulent corona strongly affects the propagation of the emitted radio waves, so decoupling the intrinsic properties of the emitting source from the effects of radio wave propagation has long been a major challenge in solar physics. Here we report quantitative spatial and frequency characterization of solar radio burst fine structures observed with the Low Frequency Array, an instrument with high-time resolution that also permits imaging at scales much shorter than those corresponding to radio wave propagation in the corona. The observations demonstrate that radio wave propagation effects, and not the properties of the intrinsic emission source, dominate the observed spatial characteristics of radio burst images. These results permit more accurate estimates of source brightness temperatures, and open opportunities for quantitative study of the mechanisms that create the turbulent coronal medium through which the emitted radiation propagates.

  8. Fine structure in the cluster decays of the translead nuclei

    International Nuclear Information System (INIS)

    Dumitrescu, O.; Cioaca, C.

    1994-06-01

    Within the one level R-matrix approach several hindrance factors for the radioactive decays in which are emitted α and other nuclei (such as 14 C and 20 O) are calculated. The interior wave functions are supposed to be given by the shell model with effective residual interactions. The exterior wave functions are calculated from a cluster - nucleus double - folding model potential with the M3Y interaction. As examples of the cluster decay fine structure we analyzed the particular cases of α - decay of 255 Fm, 14 C - decay of 223 Ra and 20 O - decay of 229 Th and 225 Fm. Good agreement with the experimental data is obtained. (author). 38 refs, 6 tabs

  9. Alpha-decay fine structure versus electromagnetic transitions

    International Nuclear Information System (INIS)

    Peltonen, S.

    2003-01-01

    Alpha decay of even-even Rn isotopes is studied microscopically along the lines of Phys. Rev. C 64, 302 (2001). The results are compared against experimental fine-structure hindrance factors (HFs). We consider problems related to reproducing observed HFs with nuclear models, especially in case of the collective 2 + - excitations. We use the QRPA model with isovector SDI interaction in order to systematically evaluate theoretical HFs. Pairing gaps and the experimental energy of the 2 + - state fix all interaction parameters except the ratio between the isovector and isoscalar interaction strengths that is used as an additional free parameter of the model. Correlation between the electromagnetic E2-strength and HFs is observed, depending both on the isotope and the excitation energy. The choice of the single particle basis appears to affect strongly the theoretical HFs. Further and even more systematical studies are required in order explain this behaviour. (author)

  10. X-ray absorption studies of chlorine valence and local environments in borosilicate waste glasses

    International Nuclear Information System (INIS)

    McKeown, David A.; Gan, Hao; Pegg, Ian L.; Stolte, W.C.; Demchenko, I.N.

    2011-01-01

    Chlorine (Cl) is a constituent of certain types of nuclear wastes and its presence can affect the physical and chemical properties of silicate melts and glasses developed for the immobilization of such wastes. Cl K-edge X-ray absorption spectra (XAS) were collected and analyzed to characterize the unknown Cl environments in borosilicate waste glass formulations, ranging in Cl-content from 0.23 to 0.94 wt.%. Both X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) data for the glasses show trends dependent on calcium (Ca) content. Near-edge data for the Ca-rich glasses are most similar to the Cl XANES of CaCl 2 , where Cl - is coordinated to three Ca atoms, while the XANES for the Ca-poor glasses are more similar to the mineral davyne, where Cl is most commonly coordinated to two Ca in one site, as well as Cl and oxygen nearest-neighbors in other sites. With increasing Ca content in the glass, Cl XANES for the glasses approach that for CaCl 2 , indicating more Ca nearest-neighbors around Cl. Reliable structural information obtained from the EXAFS data for the glasses is limited, however, to Cl-Cl, Cl-O, and Cl-Na distances; Cl-Ca contributions could not be fit to the glass data, due to the narrow k-space range available for analysis. Structural models that best fit the glass EXAFS data include Cl-Cl, Cl-O, and Cl-Na correlations, where Cl-O and Cl-Na distances decrease by approximately 0.16 A as glass Ca content increases. XAS for the glasses indicates Cl - is found in multiple sites where most Cl-sites have Ca neighbors, with oxygen, and possibly, Na second-nearest neighbors. EXAFS analyses suggest that Cl-Cl environments may also exist in the glasses in minor amounts. These results are generally consistent with earlier findings for silicate glasses, where Cl - was associated with Ca 2+ and Na + in network modifier sites.

  11. Fine structure and optical properties of biological polarizers in crustaceans and cephalopods

    Science.gov (United States)

    Chiou, Tsyr-Huei; Caldwell, Roy L.; Hanlon, Roger T.; Cronin, Thomas W.

    2008-04-01

    The lighting of the underwater environment is constantly changing due to attenuation by water, scattering by suspended particles, as well as the refraction and reflection caused by the surface waves. These factors pose a great challenge for marine animals which communicate through visual signals, especially those based on color. To escape this problem, certain cephalopod mollusks and stomatopod crustaceans utilize the polarization properties of light. While the mechanisms behind the polarization vision of these two animal groups are similar, several distinctive types of polarizers (i.e. the structure producing the signal) have been found in these animals. To gain a better knowledge of how these polarizers function, we studied the relationships between fine structures and optical properties of four types of polarizers found in cephalopods and stomatopods. Although all the polarizers share a somewhat similar spectral range, around 450- 550 nm, the reflectance properties of the signals and the mechanisms used to produce them have dramatic differences. In cephalopods, stack-plates polarizers produce the polarization patterns found on the arms and around their eyes. In stomatopods, we have found one type of beam-splitting polarizer based on photonic structures and two absorptive polarizer types based on dichroic molecules. These stomatopod polarizers may be found on various appendages, and on the cuticle covering dorsal or lateral sides of the animal. Since the efficiencies of all these polarizer types are somewhat sensitive to the change of illumination and viewing angle, how these animals compensate with different behaviors or fine structural features of the polarizer also varies.

  12. In-situ Characterization of Molecular Processes in Liquids by Ultrafast X-ray Absorption Spectroscopy

    Science.gov (United States)

    Chergui, Majed

    The need to visualize molecular and electronic structure in the course of a chemical reaction, a phase transformation a biological function has been the dream of scientists for decades. The development of time-resolved X-ray and electron based methods is making this true. X-ray absorption spectroscopy is ideal for the study of structural dynamics in liquids, because it can be implemented in amorphous media and it is chemically selective. Using X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) in laser pump/X-ray probe experiments allows the retrieval of the local geometric structure of the system under study, but also the underlying photoinduced electronic structure changes that drive the structural dynamics. We review the recent development in picosecond and femtosecond X-ray absorption spectroscopy applied to molecular systems in solution: examples on ultrafast photoinduced processes such as intramolecular electron transfer, high-to-low spin change, bond formation and water dynamics are presented.

  13. Fine structure of seminiferous tubules in antarctic seals.

    Science.gov (United States)

    Sinha, A A; Erickson, A W; Seal, U S

    1977-03-09

    The fine structure of seminiferous tubules from 5 crabeater, 2 leopard and 2 Ross seals showed that during the nonbreeding season the tubules were essentially similar in possessing spermatogenic and Sertoli cells. However, the tubules of leopard and Ross seals had more primary and secondary spermatocytes and spermatids than the crabeater seals. In general, the tubules were devoid of spermatozoa. The spermatids showed stages of maturation such as Golgi phase of acrosome formation, acrosomal cap formation and condensation of nuclei. Some spermatids degenerated in tubules. Both maturing and degenerating spermatids were closely associated with Sertoli cells. Junctional complexes with plaques of filaments were observed between Sertoli cells and the spermatogenic cells. Sertoli cells, irregular and polygonal, contained highly convoluted nuclei, strands of rough endoplasmic reticulum, smooth endoplasmic reticulum, Golgi complexes, small mitochondria, variable amounts of lipid droplets, lysosomes, lipofuscin granules and highly plicated plasma membranes. In brief, the spermatogenic activity had practically ceased in the testes and the animals probably secreted low levels of testosterone during the nonbreeding season.

  14. Coupled channels description of the α-decay fine structure

    Science.gov (United States)

    Delion, D. S.; Ren, Zhongzhou; Dumitrescu, A.; Ni, Dongdong

    2018-05-01

    We review the coupled channels approach of α transitions to excited states. The α-decaying states are identified as narrow outgoing Gamow resonances in an α-daughter potential. The real part of the eigenvalue corresponds to the Q-value, while the imaginary part determines the half of the total α-decay width. We first review the calculations describing transitions to rotational states treated by the rigid rotator model, in even–even, odd-mass and odd–odd nuclei. It is found that the semiclassical method overestimates the branching ratios to excited 4+ for some even–even α-emitters and fails in explaining the unexpected inversion of branching ratios of some odd-mass nuclei, while the coupled-channels results show good agreement with the experimental data. Then, we review the coupled channels method for α-transitions to 2+ vibrational and transitional states. We present the results of the Coherent State Model that describes in a unified way the spectra of vibrational, transitional and rotational nuclei. We evidence general features of the α-decay fine structure, namely the linear dependence between α-intensities and excitation energy, the linear correlation between the strength of the α-core interaction and spectroscopic factor, and the inverse correlation between the nuclear collectivity, given by electromagnetic transitions, and α-clustering.

  15. A New Physical Meaning of Sommerfeld Fine Structure Constant

    Science.gov (United States)

    Sohrab, Siavash

    2015-04-01

    Identifying physical space or Casimir vacuum as a compressible tachyon fluid, Planck compressible ether, leads to stochastic definitions of Planck h = mk c and Boltzmann k = mk c constants, finite photon mass mk = (hk/c3)1/2 , amu = mk c2 = (hkc)1/2 , and modified Avogadro-Loschmidt number No = 1/(hkc)1/2 = 6.03766 x1023 mole-1 . Thus, Lorentz-FitzGerald contractions now result from compressibility of physical space and become causal (Pauli) in accordance with Poincaré-Lorentz dynamic theory of relativity as opposed to Einstein kinematic theory of relativity. At thermodynamic equilibrium he = me ve = hk = mk c = h, Compton wavelength can be expressed as λc = h/me c = (ve /c)h /(me ve) = αλe . Hence, Sommerfeld fine structure constant α is identified as the ratio of electron to photon speeds α = e2/(2ɛo hc) = ve/c = 1/137.036. The mean thermal speed of electron at equilibrium with photon gas is ve = 2.187640x106 m/s and its de Broglie wavelength is λe = 3.3250x10-10 m. Also, electron kinetic energy for oscillations in two directions and or ɛe = hνe = me ve2= kTe results in electron temperature Te = 3.15690x105 K.

  16. Chromospheric counterparts of solar transition region unresolved fine structure loops

    Science.gov (United States)

    Pereira, Tiago M. D.; Rouppe van der Voort, Luc; Hansteen, Viggo H.; De Pontieu, Bart

    2018-04-01

    Low-lying loops have been discovered at the solar limb in transition region temperatures by the Interface Region Imaging Spectrograph (IRIS). They do not appear to reach coronal temperatures, and it has been suggested that they are the long-predicted unresolved fine structures (UFS). These loops are dynamic and believed to be visible during both heating and cooling phases. Making use of coordinated observations between IRIS and the Swedish 1-m Solar Telescope, we study how these loops impact the solar chromosphere. We show for the first time that there is indeed a chromospheric signal of these loops, seen mostly in the form of strong Doppler shifts and a conspicuous lack of chromospheric heating. In addition, we find that several instances have a inverse Y-shaped jet just above the loop, suggesting that magnetic reconnection is driving these events. Our observations add several puzzling details to the current knowledge of these newly discovered structures; this new information must be considered in theoretical models. Two movies associated to Fig. 1 are available at http://https://www.aanda.org

  17. Theoretical approaches to clustering and fine structure in heaviest elements

    International Nuclear Information System (INIS)

    Silisteanu, I.; Sandru, A.; Silisteanu, A. O.; Popovici, B.; Neacsu, A.

    2007-01-01

    Alpha clustering and fine structure provide unique information on the nuclear scale structure of the heaviest elements. Recent developments in superheavy element research allow us to formulate a quantitative theory of radioactive decay, within multichannel resonance scattering approach, which is described in this work. The work emphasizes the theory extended to more complex nuclear structure at the limits of stability and treats the emission rates near the resonance threshold. The material covered includes formal considerations of the decay problem, derived from a microscopic formulation, as well as practical computational methods, based on self consistent models for nuclear structure and low-energy reaction dynamics. The reliability of the results is demonstrated by a comparison between the decay data with relevant theories and with other approaches. Particular emphasis is given to the resonance spectroscopy with position-sensitive charge particle detectors since high precision calculation of partial widths of narrow resonances have become available and these resonances can be observed in experiments. A primary goal of this work is to study the α-decay properties of new superheavy nuclides with Z 106-118, under current experimental research.(authors)

  18. Development of powder diffraction anomalous fine structure method and applications to electrode materials for rechargeable batteries

    International Nuclear Information System (INIS)

    Kawaguchi, Tomoya; Fukuda, Katsutoshi; Oishi, Masatsugu; Ichitsubo, Tetsu; Matsubara, Eiichiro; Mizuki, Jun'ichiro

    2015-01-01

    A powder diffraction anomalous fine structure (P-DAFS) method is developed both in analytical and experimental techniques and applied to cathode materials for lithium ion batteries. The DAFS method, which is an absorption spectroscopic technique through a scattering measurement, enables us to analyze the chemical states and the local structures of a certain element at different sites, thanks to the nature of x-ray diffraction, where the contributions from each site are different at each diffraction. Electrode materials for rechargeable batteries frequently exhibit the interchange between Li and a transition metal, which is known as the cation mixing phenomena. This cation mixing significantly affects the whole electrode properties; therefore, the site-distinguished understanding of the roles of the transition metal is essential for further material design by controlling and positively utilizing this cation mixing phenomenon. However, the developments of the P-DAFS method are required for the applications to the practical materials such as the electrode materials. In the present study, a direct analysis technique to extract the absorption spectrum from the scattering without using the conventional iterative calculations, fast and accurate measurement techniques of the P-DAFS method, and applications to a typical electrode material of Li 1-x Ni 1+x O 2 , which exhibits the significant cation mixing, are described. (author)

  19. X-ray absorption spectroscopy on the calcium cofactor to the manganese cluster in photosynthetic oxygen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Cinco, Roehl M. [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    Along with Mn, calcium and chloride ions are necessary cofactors for oxygen evolution in Photosystem II (PS II). To further test and verify whether Ca is close to the Mn cluster, the authors substituted strontium for Ca and probed from the Sr point of view for any nearby Mn. The extended X-ray absorption fine structure (EXAFS) of Sr-reactivated PS II indicates major differences between the intact and NH2OH-treated samples. In intact samples, the Fourier transform of the Sr EXAFS shows a Fourier peak that is missing in inactive samples. This peak II is best simulated by two Mn neighbors at a distance of 3.5 Angstrom, confirming the proximity of Ca (Sr) cofactor to the Mn cluster. In addition, polarized Sr EXAFS on oriented Sr-reactivated samples shows this peak II is dichroic: large magnitude at 10 degrees (angle between the PS II membrane normal and the x-ray electric field vector) and small at 80 degrees. Analysis of the dichroism yields the relative angle between the Sr-Mn vector and membrane normal (23 degrees ± 4 degrees), and the isotropic coordination number for these layered samples. X-ray absorption spectroscopy has also been employed to assess the degree of similarity between the manganese cluster in PS II and a family of synthetic manganese complexes containing the distorted cubane [Mn4O3X] core (X = benzoate, acetate, methoxide, hydroxide, azide, fluoride, chloride or bromide). In addition, Mn4O3Cl complexes containing three or six terminal Cl ligands at three of the Mn were included in this study. The EXAFS method detects the small changes in the core structures as X is varied in this series, and serves to exclude these distorted cubanes of C3v symmetry as a topological model for the Mn catalytic cluster. The sulfur K-edge x-ray absorption near-edge structure (XANES) spectra for the amino acids cysteine, methionine, their corresponding oxidized forms cystine and methionine sulfoxide, and

  20. Fine structural properties of natural and synthetic glycogens.

    Science.gov (United States)

    Takata, Hiroki; Kajiura, Hideki; Furuyashiki, Takashi; Kakutani, Ryo; Kuriki, Takashi

    2009-03-31

    Glycogen, highly branched (1-->4)(1-->6)-linked alpha-d-glucan, can be extracted from natural sources such as animal tissues or shellfish (natural source glycogen, NSG). Glycogen can also be synthesized in vitro from glucose-1-phosphate using the cooperative action of alpha-glucan phosphorylase (GP, EC 2.4.1.1) and branching enzyme (BE, EC 2.4.1.18), or from short-chain amylose by the cooperative action of BE and amylomaltase (AM, EC 2.4.1.25). It has been shown that enzymatically synthesized glycogen (ESG) has structural and physicochemical properties similar to those of NSG. In this study, the fine structures of ESG and NSG were analyzed using isoamylase and alpha-amylase. Isoamylase completely hydrolyzed the alpha-1,6 linkages of ESG and NSG. The unit-chain distribution (distribution of degrees of polymerization (DP) of alpha-1,4 linked chains) of ESG was slightly narrower than that of NSG. alpha-Amylase treatment revealed that initial profiles of hydrolyses of ESG and NSG were almost the same: both glycogens were digested slowly, compared with starch. The final products from NSG by alpha-amylase hydrolysis were glucose, maltose, maltotriose, branched oligosaccharides with DP4, and highly branched macrodextrin molecules with molecular weights of up to 10,000. When ESG was digested with excess amounts of alpha-amylase, much larger macrodextrins (molecular weight>10(6)) were detected. In contrast, oligosaccharides with DP 4-7 could not be detected from ESG. These results suggest that the alpha-1,6 linkages in ESG molecules are more regularly distributed than those in NSG molecules.

  1. Effect of Cu insertion on structural, local electronic/atomic structure and photocatalyst properties of TiO{sub 2}, ZnO and Ni(OH){sub 2} nanostructures: XANES-EXAFS study

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Aditya; Varshney, Mayora [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul, 02792 (Korea, Republic of); Shin, Hyun Joon, E-mail: shj001@postech.ac.kr [Pohang Accelerator Laboratory (POSTECH), Pohang, 37673 (Korea, Republic of); Lee, Byeong-Hyeon [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul, 02792 (Korea, Republic of); Chae, Keun Hwa, E-mail: khchae@kist.re.kr [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul, 02792 (Korea, Republic of); Won, Sung Ok, E-mail: sowon@kist.re.kr [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul, 02792 (Korea, Republic of)

    2017-04-15

    We report detailed investigations on the synthesis, structural, morphology, electronic/atomic structure and photocatalyst properties of Cu doped TiO{sub 2}, ZnO and Ni(OH){sub 2} nanostructures. All of the samples were synthesized by using the chemical precipitation method. Samples were characterized by X-ray diffraction (XRD), transmission electron microscope (TEM), X-ray absorption near edge structure (XANES), extended X-ray absorption fine structure (EXAFS) and photocatalyst measurements. XRD studies revealed single phase nature of the samples and omitted the presence of trivial metallic or binary oxide phases. TiO{sub 2} set of samples have shown nanorod kind of morphology, however TEM images of ZnO and Ni(OH){sub 2} set of samples depicted the spherical morphology of particles. XANES spectra at the Cu K-edge and Cu L-edge, along with the atomic multiplet calculations, revealed the predominance of Cu{sup 2+} ions in all of the samples, within the entire doping range. Ti L-edge and Ti K-edge XANES confirmed the existence of Ti{sup 4+} ions in the pure and Cu doped TiO{sub 2} samples with anatase local structure. Zn L-edge XANES results confirmed the divalent character of Zn ions in the pure and Cu doped ZnO, which is further validated by the Zn K-edge XANES. Ni L-edge and Ni K-edge XANES conveyed the +2 valence state of Ni ions in the pure and Cu doped Ni (OH){sub 2} samples. EXAFS analysis at the Cu K-edge nullifies the formation of Cu metallic clusters and other trivial phases, suggesting random distribution of Cu atoms in the oxide materials. Though, local atomic arrangement of Cu ions is disparate in the different oxide compounds. As an application of the pure and Cu doped TiO{sub 2}, ZnO and Ni(OH){sub 2} nanostructures, towards the degradation of water pollutant dyes, we demonstrate that all of the samples can serve as effective photocatalyst materials towards the degradation of methyl orange aqueous pollutant dye under the UV-light irradiation

  2. [The role of temporal fine structure in tone recognition and music perception].

    Science.gov (United States)

    Zhou, Q; Gu, X; Liu, B

    2017-11-07

    The sound signal can be decomposed into temporal envelope and temporal fine structure information. The temporal envelope information is crucial for speech perception in quiet environment, and the temporal fine structure information plays an important role in speech perception in noise, Mandarin tone recognition and music perception, especially the pitch and melody perception.

  3. A study of the fine structure, enzyme activities and pattern of 14CO2 ...

    African Journals Online (AJOL)

    A detailed study of selected grasses has been made with respect to fine structures characteristics, enzyme activities associated with C-4 and C-3 pathway photosynthesis, and short term carbon dioxide-14 incorporation experiments. A good correlation was obtained between the fine structure, the carbon pathway and the ...

  4. Distortion product otoacoustic emission fine structure as an early hearing loss predictor

    DEFF Research Database (Denmark)

    Reuter, Karen; Hammershøi, Dorte

    2006-01-01

    Otoacoustic emissions (OAEs) are a promising method to monitor early noise-induced hearing losses. When distortion product otoacoustic emissions (DPOAEs) are obtained with a high-frequency resolution, a ripple structure across frequency can be seen, called DPOAE fine structure. In this study DPOAE...... fine structures are obtained from 74 normal-hearing humans using primary levels of L1/L2=65/45 dB. The subjects belong to groups with different ages and exposure histories. A classification algorithm is developed, which quantifies the fine structure by the parameter's ripple place, ripple width, ripple...... height, and ripple prevalence. Temporary changes of the DPOAE fine structure are analyzed by measuring DPOAE both before and after exposing some of the subjects to an intense sound. The characteristic patterns of fine structure can be found in the DPOAE of all subjects, though they are individual...

  5. Quantitative investigation of two metallohydrolases by X-ray absorption spectroscopy near-edge spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, W. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Chu, W.S.; Yang, F.F.; Yu, M.J.; Chen, D.L.; Guo, X.Y. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Zhou, D.W.; Shi, N. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Marcelli, A. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy); Niu, L.W.; Teng, M.K. [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230027 (China); Gong, W.M. [Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101 (China); Benfatto, M. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy); Wu, Z.Y. [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, Frascati 00044 (Italy)], E-mail: wuzy@ihep.ac.cn

    2007-09-21

    The last several years have witnessed a tremendous increase in biological applications using X-ray absorption spectroscopy (BioXAS), thanks to continuous advancements in synchrotron radiation (SR) sources and detector technology. However, XAS applications in many biological systems have been limited by the intrinsic limitations of the Extended X-ray Absorption Fine Structure (EXAFS) technique e.g., the lack of sensitivity to bond angles. As a consequence, the application of the X-ray absorption near-edge structure (XANES) spectroscopy changed this scenario that is now continuously changing with the introduction of the first quantitative XANES packages such as Minut XANES (MXAN). Here we present and discuss the XANES code MXAN, a novel XANES-fitting package that allows a quantitative analysis of experimental data applied to Zn K-edge spectra of two metalloproteins: Leptospira interrogans Peptide deformylase (LiPDF) and acutolysin-C, a representative of snake venom metalloproteinases (SVMPs) from Agkistrodon acutus venom. The analysis on these two metallohydrolases reveals that proteolytic activities are correlated to subtle conformation changes around the zinc ion. In particular, this quantitative study clarifies the occurrence of the LiPDF catalytic mechanism via a two-water-molecules model, whereas in the acutolysin-C we have observed a different proteolytic activity correlated to structural changes around the zinc ion induced by pH variations.

  6. Quantitative investigation of two metallohydrolases by X-ray absorption spectroscopy near-edge spectroscopy

    International Nuclear Information System (INIS)

    Zhao, W.; Chu, W.S.; Yang, F.F.; Yu, M.J.; Chen, D.L.; Guo, X.Y.; Zhou, D.W.; Shi, N.; Marcelli, A.; Niu, L.W.; Teng, M.K.; Gong, W.M.; Benfatto, M.; Wu, Z.Y.

    2007-01-01

    The last several years have witnessed a tremendous increase in biological applications using X-ray absorption spectroscopy (BioXAS), thanks to continuous advancements in synchrotron radiation (SR) sources and detector technology. However, XAS applications in many biological systems have been limited by the intrinsic limitations of the Extended X-ray Absorption Fine Structure (EXAFS) technique e.g., the lack of sensitivity to bond angles. As a consequence, the application of the X-ray absorption near-edge structure (XANES) spectroscopy changed this scenario that is now continuously changing with the introduction of the first quantitative XANES packages such as Minut XANES (MXAN). Here we present and discuss the XANES code MXAN, a novel XANES-fitting package that allows a quantitative analysis of experimental data applied to Zn K-edge spectra of two metalloproteins: Leptospira interrogans Peptide deformylase (LiPDF) and acutolysin-C, a representative of snake venom metalloproteinases (SVMPs) from Agkistrodon acutus venom. The analysis on these two metallohydrolases reveals that proteolytic activities are correlated to subtle conformation changes around the zinc ion. In particular, this quantitative study clarifies the occurrence of the LiPDF catalytic mechanism via a two-water-molecules model, whereas in the acutolysin-C we have observed a different proteolytic activity correlated to structural changes around the zinc ion induced by pH variations

  7. Fast EXAFS in synchronous scanning mode at PETRA P06

    International Nuclear Information System (INIS)

    Chernikov, Roman; Welter, Edmund; Caliebe, Wolfgang; Falkenberg, Gerald; Wellenreuther, Gerd

    2016-01-01

    First fast EXAFS spectra have been successfully measured at the Hard X-ray Micro-probe Beamline P06 (PETRA III) synchronously scanning the U32 undulator gap and the monochromator Bragg axis. Stability and spatial homogeneity of the beam are proved to be the limiting factors for the quality of the EXAFS spectra, whereas the performance of the data acquisition electronics limits the energy resolution when total scan time is reduced to 30 seconds. Results of the test measurements give us the estimate of the utmost performance of 510 seconds per full EXAFS scan considering certain hardware modifications. (paper)

  8. PLUTONIUM CONTAMINATION VALENCE STATE DETERMINATION USING X-RAY ABSORPTION FINE STRUCTURE PERMITS CONCRETE RECYCLE

    International Nuclear Information System (INIS)

    Ervin, P. F.; Conradson, S. D.

    2002-01-01

    This paper describes the determination of the speciation of plutonium contamination present on concrete surfaces at the Rocky Flats Environmental Technology Site (RFETS). At RFETS, the plutonium processing facilities have been contaminated during multiple events over their 50 year operating history. Contamination has resulted from plutonium fire smoke, plutonium fire fighting water, milling and lathe operation aerosols, furnace operations vapors and plutonium ''dust'' diffusion

  9. Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

    Science.gov (United States)

    Myhre, Rolf H; Coriani, Sonia; Koch, Henrik

    2016-06-14

    Core excited states are challenging to calculate, mainly because they are embedded in a manifold of high-energy valence-excited states. However, their locality makes their determination ideal for local correlation methods. In this paper, we demonstrate the performance of multilevel coupled cluster theory in computing core spectra both within the core-valence separated and the asymmetric Lanczos implementations of coupled cluster linear response theory. We also propose a visualization tool to analyze the excitations using the difference between the ground-state and excited-state electron densities.

  10. Augmentation of Quick-EXAFS measurement facility at the energy scanning EXAFS beamline at INDUS-2 SRS

    International Nuclear Information System (INIS)

    Poswal, A. K.; Agrawal, Ankur; Bhattachryya, D.; Jha, S. N.; Sahoo, N. K.

    2015-01-01

    In this paper implementation of Quick-EXAFS data acquisition facility at the Energy Scanning EXAFS beamline(BL-09) at INDUS-2 synchrotron source, Indore is presented. By adopting a continuous-scan mode in the Double Crystal monochromator (DCM), a high signal-to-noise ratio is maintained and the acquisition time is reduced to few seconds. The quality of spectra and repeatability is checked by measuring standards. The present mode of data acquisition would enable EXAFS measurement for in-situ studies even in fluorescence mode

  11. Simulation of the isotropic EXAFS spectra for the S2 and S3 structures of the oxygen evolving complex in photosystem II.

    Science.gov (United States)

    Li, Xichen; Siegbahn, Per E M; Ryde, Ulf

    2015-03-31

    Most of the main features of water oxidation in photosystem II are now well understood, including the mechanism for O-O bond formation. For the intermediate S2 and S3 structures there is also nearly complete agreement between quantum chemical modeling and experiments. Given the present high degree of consensus for these structures, it is of high interest to go back to previous suggestions concerning what happens in the S2-S3 transition. Analyses of extended X-ray adsorption fine structure (EXAFS) experiments have indicated relatively large structural changes in this transition, with changes of distances sometimes larger than 0.3 Å and a change of topology. In contrast, our previous density functional theory (DFT)(B3LYP) calculations on a cluster model showed very small changes, less than 0.1 Å. It is here found that the DFT structures are also consistent with the EXAFS spectra for the S2 and S3 states within normal errors of DFT. The analysis suggests that there are severe problems in interpreting EXAFS spectra for these complicated systems.

  12. Impaired perception of temporal fine structure and musical timbre in cochlear implant users.

    Science.gov (United States)

    Heng, Joseph; Cantarero, Gabriela; Elhilali, Mounya; Limb, Charles J

    2011-10-01

    Cochlear implant (CI) users demonstrate severe limitations in perceiving musical timbre, a psychoacoustic feature of sound responsible for 'tone color' and one's ability to identify a musical instrument. The reasons for this limitation remain poorly understood. In this study, we sought to examine the relative contributions of temporal envelope and fine structure for timbre judgments, in light of the fact that speech processing strategies employed by CI systems typically employ envelope extraction algorithms. We synthesized "instrumental chimeras" that systematically combined variable amounts of envelope and fine structure in 25% increments from two different source instruments with either sustained or percussive envelopes. CI users and normal hearing (NH) subjects were presented with 150 chimeras and asked to determine which instrument the chimera more closely resembled in a single-interval two-alternative forced choice task. By combining instruments with similar and dissimilar envelopes, we controlled the valence of envelope for timbre identification and compensated for envelope reconstruction from fine structure information. Our results show that NH subjects utilize envelope and fine structure interchangeably, whereas CI subjects demonstrate overwhelming reliance on temporal envelope. When chimeras were created from dissimilar envelope instrument pairs, NH subjects utilized a combination of envelope (p = 0.008) and fine structure information (p = 0.009) to make timbre judgments. In contrast, CI users utilized envelope information almost exclusively to make timbre judgments (p < 0.001) and ignored fine structure information (p = 0.908). Interestingly, when the value of envelope as a cue was reduced, both NH subjects and CI users utilized fine structure information to make timbre judgments (p < 0.001), although the effect was quite weak in CI users. Our findings confirm that impairments in fine structure processing underlie poor perception of musical timbre in CI

  13. Design, fabrication and testing of elliptical crystal bender for the ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    ray absorption fine structure (EXAFS) beam-line for X-ray absorption studies, using energy dispersive geometry and position sensitive detector, has been proposed to be installed at a bending magnet port of the INDUS-II Synchrotron source (Das et al 1999). The EXAFS technique deals with measurements of fine structures ...

  14. The influence of common stimulus parameters on distortion product otoacoustic emission fine structure.

    Science.gov (United States)

    Johnson, Tiffany A; Baranowski, Lauren G

    2012-01-01

    To determine whether common approaches to setting stimulus parameters influence the depth of fine structure present in the distortion product otoacoustic emission (DPOAE) response. Because the presence of fine structure has been suggested as a possible source of errors, if one of the common parametric approaches results in reduced fine-structure depth, it may be preferred over other approaches. DPOAE responses were recorded in a group of 21 subjects with normal hearing for 1/3-octave intervals surrounding 3 f2s (1, 2, and 4 kHz) at three L2s (30, 45, and 55 dB SPL). For each f2 and L2 combination, L1 and f2/f1 were set according to three commonly used parametric approaches. These included a simple approach, the approach recommended by Kummer et al., and the approach described by Johnson et al. These three approaches primarily differ in the recommended relationship between L1 and L2. For each parametric approach, DPOAE fine structure was evaluated by varying f2 in small steps. Differences in DPOAE level and DPOAE fine-structure depth across f2, L2, and the various stimulus parameters were evaluated using repeated-measures analysis of variance. As expected, significant variations in DPOAE level were observed across the three parametric approaches. For stimulus levels #45 dB SPL, the simple stimuli resulted in lower DPOAE levels than were observed for other approaches. An unexpected finding was that stimulus parameters developed by Johnson et al., which were believed to produce higher DPOAE levels than other approaches, produced the lowest DPOAE levels of the three approaches when f2 = 4 kHz. Significant differences in fine-structure depth were also observed. Greater fine-structure depth was observed with the simple parameters, although this effect was restricted to L2 # 45 dB SPL. When L2 = 55 dB SPL, all three parametric approaches resulted in equivalent fine-structure depth. A significant difference in fine-structure depth across the 3 f2s was also observed. The

  15. Investigation of annealed and metamict pyrochlore minerals by x-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Greegor, R.B.; Lytle, F.W.; Ewing, R.C.; Chakoumakos, B.C.; Lumpkin, G.R.

    1984-01-01

    Materials of the pyrochlore structure type exhibit a variety of interesting properties including phases capable of acting as hosts for actinides in radioactive wastes. Studies of curium doped gadolinium titanate phases (Gd 2 Ti 2 O 7 ) have been made which showed that the radiation damage ingrowth followed an exponential relationship. For the study reported here a series of synthetic pyrochlores were produced having the titanate phase with the general formula (RE) 2 Ti 2 O 7 , RE = Er, Y 2 , Gd 2 , Dy, La. Additionally a set of metamict (radiation damaged) pyrochlores was examined in both a natural and post temperature annealed state. Experiments were conducted on these samples using the Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES) techniques. In summary, these studies show that in pyrochlore structure types the Ti-O cage undergoes changes due to radiation damage. The individual Ti-O bonds become more disordered which leads to a loss of short and long range order and, ultimately, to expansion of the bulk material. 2 refs., 2 figs

  16. Probing the CZTS/CdS heterojunction utilizing photoelectrochemistry and x-ray absorption spectroscopy

    Science.gov (United States)

    Turnbull, Matthew J.; Vaccarello, Daniel; Wong, Jonathan; Yiu, Yun Mui; Sham, Tsun-Kong; Ding, Zhifeng

    2018-04-01

    The importance of renewable resources is becoming more and more influential on research due to the depletion of fossil fuels. Cost-effective ways of harvesting solar energy should also be at the forefront of these investigations. Cu2ZnSnS4 (CZTS) solar cells are well within the frame of these goals, and a thorough understanding of how they are made and processed synthetically is crucial. The CZTS/CdS heterojunction was examined using photoelectrochemistry and synchrotron radiation (SR) spectroscopy. These tools provided physical insights into this interface that was formed by the electrophoretic deposition of CZTS nanocrystals and chemical bath deposition (CBD) of CdS for the respective films. It was discovered that CBD induced a change in the local and long range environment of the Zn in the CZTS lattice, which was detrimental to the photoresponse. X-ray absorption near-edge structures and extended X-ray absorption fine structures (EXAFSs) of the junction showed that this change was at an atomic level and was associated with the coordination of oxygen to zinc. This was confirmed through FEFF fitting of the EXAFS and through IR spectroscopy. It was found that this change in both photoresponse and the Zn coordination can be reversed with the use of low temperature annealing. Investigating CZTS through SR techniques provides detailed structural information of minor changes from the zinc perspective.

  17. Fine Structure of the Core of the Blazar OJ 287-I

    Science.gov (United States)

    Matveyenko, L. I.; Sivakon', S. S.

    2017-12-01

    The fine structure of the active region, the bulge, of the blazar OJ 287 has been investigated with a resolution of 20 μas (0.1 pc) at a wavelength of 7 mm, the epochs of 2007-2017. The structure and kinematics correspond to a vortex nature. The surrounding matter, the plasma, is transferred to the center along two arms from opposite directions. The emerging excess angular momentum is carried away along the rotation axis by bipolar outflows, rotating coaxial tubes, in a direction X ≈ -120° in the plane of the sky as it is accumulated. The central high-velocity bipolar outflow has a helical shape. The diameters of the low-velocity flows are ø1 ≈ 0.3 and ø2 ≈ 0.65 mas, or 1.4 and 3 pc, respectively. Ring currents whose tangential directions are observed as parallel chains of components are excited in the flow walls. The peak brightness temperature of the nozzle reaches Tb ≈ 1012-1013 K. A "disk" with a diameter ø ≈ 0.5 mas (≈2.2 pc) is observed by the absorption of synchrotron radiation. The disk is inclined to the plane of the sky at an angle of 60° in the jet direction. The fragments are seen from a distance of ˜0.2 mas outside the absorption zone. The jet sizes exceed considerably the counterjet ones. An enhanced supply of plasma from the northern arm gives rise to an independent vortex 0.2 mas away from the central one in the NW direction. As in the first case, the helical central bipolar outflow is surrounded by a low-velocity component ø ≈ 0.28 mas in diameter with built-in ring currents. The jet is ejected in the direction X = -50° in the plane of the sky. The jet orientation changes, X = -130° at a distance of 1 mas. A high activity of the central and two side nozzles spaced 0.22 mas apart in the direction X = -40° is occasionally observed simultaneously. The active region of the blazar is observed through an ionized medium, a screen, whose influence is significant even at a wavelength of 7 mm. The absorption and refraction of the

  18. Noncollinear Spin Structure in Fe--Ni Invar Alloy Probed by Magnetic EXAFS at High Pressure

    Science.gov (United States)

    Matsumoto, Ken; Maruyama, Hiroshi; Ishimatsu, Naoki; Kawamura, Naomi; Mizumaki, Masaichiro; Irifune, Tetsuo; Sumiya, Hitoshi

    2011-02-01

    To examine theoretical models of the Invar effect, X-ray magnetic circular dichroism and magnetic extended X-ray absorption fine structure (MEXAFS) measurements are performed under high pressures at the Fe and Ni K-edges in 35.4 at. % Ni--Fe alloy. An oscillatory MEXAFS signal is observed up to 6 GPa. Its amplitude significantly decreases with increasing pressure. The magnetic component of the radial distribution function, obtained by taking the Fourier transform, shows a different reduction in the ferromagnetic correlations of Fe and Ni absorbing atoms. The present results are favorable to the noncollinear spin structure picture rather than the Fe 2γ-state model.

  19. Influences of different environmental parameters on the sorption of trivalent metal ions on bentonite: batch sorption, fluorescence, EXAFS and EPR studies.

    Science.gov (United States)

    Verma, P K; Pathak, P N; Mohapatra, P K; Godbole, S V; Kadam, R M; Veligzhanin, A A; Zubavichus, Y V; Kalmykov, S N

    2014-04-01

    The presence of long-lived radionuclides in natural aquatic systems is of great environmental concern in view of their possible migration into biospheres of mankind. Trivalent actinides such as (241/243)Am can contribute a great deal to radioactivity for several thousand years. This migration is significantly influenced by various factors such as pH, complexing ions present in aquatic environments, and the sorption of species involving radionuclides by sediments around water bodies. Clay minerals such as bentonite are known to be highly efficient in radionuclide retention and hence are suitable candidates for backfill materials. This study presents experimental results on the interaction of Eu(iii) and Gd(iii) (chemical analogs of Am(iii) and Cm(iii)) with bentonite clay under varying experimental conditions of contact time, pH, and the presence of complexing anions such as humic acid (HA) and citric acid (cit). The sorption of HA on bentonite decreased with increasing the pH from 2 to 8, which was attributed to electrostatic interactions between HA and the bentonite surfaces. The sorption of Eu(iii) on bentonite colloids showed marginal variation with pH (>95%). However, a decrease in Eu(iii) sorption was observed in the presence of HA beyond pH 5 due to the increased aqueous complexation of Eu(iii) with deprotonated HA in the aqueous phase. The complexation of Eu(iii) with citrate ions was studied using Time Resolved Laser induced Fluorescence Spectroscopy (TRLFS) to explain the sorption data. Extended X-ray absorption fine structure (EXAFS) and electron paramagnetic resonance (EPR) investigations were carried out to understand the local chemical environment surrounding Eu(iii) and Gd(iii) (EPR probe) sorbed on bentonite under different experimental conditions. Surface complexation modelling shows the predominant formation of ≡XOEu(+2) (silanol) up to pH < 7, and beyond which ≡YOEu(OH)(+) (aluminol) is responsible for the quantitative sorption of Eu(iii) onto

  20. Fine-structure processing, frequency selectivity and speech perception in hearing-impaired listeners

    DEFF Research Database (Denmark)

    Strelcyk, Olaf; Dau, Torsten

    2008-01-01

    Hearing-impaired people often experience great difficulty with speech communication when background noise is present, even if reduced audibility has been compensated for. Other impairment factors must be involved. In order to minimize confounding effects, the subjects participating in this study...... modulation were obtained. In addition, these binaural and monaural thresholds were measured in a stationary background noise in order to assess the persistence of the fine-structure processing to interfering noise. Apart from elevated speech reception thresholds, the hearing impaired listeners showed poorer...... performance than the normally hearing in terms of frequency selectivity and fine-structure processing, despite normal audiometric thresholds at the test frequencies. However, the binaural fine-structure processing was not found to be particularly vulnerable to interfering noise in these listeners....

  1. Big bang nucleosynthesis with a varying fine structure constant and nonstandard expansion rate

    International Nuclear Information System (INIS)

    Ichikawa, Kazuhide; Kawasaki, Masahiro

    2004-01-01

    We calculate the primordial abundances of light elements produced during big bang nucleosynthesis when the fine structure constant and/or the cosmic expansion rate take nonstandard values. We compare them with the recent values of observed D, 4 He, and 7 Li abundances, which show a slight inconsistency among themselves in the standard big bang nucleosynthesis scenario. This inconsistency is not solved by considering either a varying fine structure constant or a nonstandard expansion rate separately but solutions are found by their simultaneous existence

  2. Experimental and theoretical correlations between vanadium K-edge X-ray absorption and Kβ emission spectra.

    Science.gov (United States)

    Rees, Julian A; Wandzilak, Aleksandra; Maganas, Dimitrios; Wurster, Nicole I C; Hugenbruch, Stefan; Kowalska, Joanna K; Pollock, Christopher J; Lima, Frederico A; Finkelstein, Kenneth D; DeBeer, Serena

    2016-09-01

    A series of vanadium compounds was studied by K-edge X-ray absorption (XAS) and K[Formula: see text] X-ray emission spectroscopies (XES). Qualitative trends within the datasets, as well as comparisons between the XAS and XES data, illustrate the information content of both methods. The complementary nature of the chemical insight highlights the success of this dual-technique approach in characterizing both the structural and electronic properties of vanadium sites. In particular, and in contrast to XAS or extended X-ray absorption fine structure (EXAFS), we demonstrate that valence-to-core XES is capable of differentiating between ligating atoms with the same identity but different bonding character. Finally, density functional theory (DFT) and time-dependent DFT calculations enable a more detailed, quantitative interpretation of the data. We also establish correction factors for the computational protocols through calibration to experiment. These hard X-ray methods can probe vanadium ions in any oxidation or spin state, and can readily be applied to sample environments ranging from solid-phase catalysts to biological samples in frozen solution. Thus, the combined XAS and XES approach, coupled with DFT calculations, provides a robust tool for the study of vanadium atoms in bioinorganic chemistry.

  3. DFT and EXAFS, mutually enhancing tools for structure elucidation of Tc complexes

    International Nuclear Information System (INIS)

    Breynaert, E.; Bruggeman, C.; Maes, A.

    2005-01-01

    Full text of publication follows: The redox-sensitive fission product technetium-99 (Tc) is of great interest in nuclear waste disposal studies because of its potential for contaminating the geosphere due to its very long half-life (2.13 x 10 5 year) and high mobility under oxidising conditions, where technetium forms pertechnetate (TcO 4 - ). Under suitable reducing conditions, e.g. in the presence of an iron(II) containing solid phase which can act as an electron donor, the solubility can be limited by the reduction of pertechnetate followed by the formation of a surface precipitate [1]. However, by association with mobile humic substances (HS) or other associating/complexing species, the solubility of reduced Tc species may be drastically enhanced [2]. The elucidation of the identity and geometrical structure of the species causing this enhanced solubility often remains a difficult issue. Extended X-Ray Absorption Fluorescence Spectroscopy/ X-Ray Absorption Near Edge Spectroscopy (EXAFS/XANES) analysis can be very helpful to determine the molecular surroundings of reduced Tc organic complexes of Tc(IV) colloid-HS-associations. The interpretation of the EXAFS spectra is however not a straightforward process due to the possibly strong influence of multiple scattering paths on the spectra. Contrary to single scattering analysis which can be easily performed on the experimental EXAFS spectra, multiple scattering analysis can only be done, based on good approximations of the possible geometrical structures of the species under consideration. It has been shown that the Density Functional Theory (DFT) can be used to perform geometry optimizations of technetium species and therefore can be utilized to predict the structure of technetium complexes [3]. The success and computational effort needed for such structure predictions are however highly dependant on the quality of the initial structure from which the geometry optimization is started. Single scattering analysis of

  4. Structures of substituted-cyclopentadienyl uranium(III) dimers and related uranium metallocenes deduced by EXAFS

    International Nuclear Information System (INIS)

    Lukens, W.W. Jr.; Allen, P.G.; Bucher, J.J.; Edelstein, N.M.; Hudson, E.A.; Shuh, D.K.; Reich, T.; Andersen, R.A.

    1999-01-01

    The crystal structures of [Cp double-prime 2 UF] 2 and [Cp double-dagger 2 UO] 2 are reported, where Cp double-prime is 1,3-(Me 3 -Si) 2 C 5 H 3 and Cp double-dagger is 1,3-(Me 3 C) 2 C 5 H 3 . Both complexes have idealized C 2h symmetry, and their U hor-ellipsis U distances are 3.85 and 3.39 angstrom, respectively. The X-ray absorption spectra of several uranium metallocene complexes, and the numerical results from fitting the EXAFS spectra, are reported. For [Cp double-dagger 2 UF] 2 , the U hor-ellipsis U distance was found by EXAFS to be similar to that in [Cp double-prime 2 UF] 2 , implying that [Cp double-dagger 2 UF] 2 is dimeric. A structural model is advanced that correlates the U hor-ellipsis U distance with the orientation of the cyclopentadienyl rings; the orientation is due to a subtle combination of steric repulsions between ligands on the same metal center and between ligands on adjacent metal centers

  5. EXAFS investigation of the active site of iron superoxide dismutase of Escherichia coli and Propionibacterium shermanii.

    Science.gov (United States)

    Scherk, C; Schmidt, M; Nolting, H F; Meier, B; Parak, F

    1996-01-01

    The local structure of the iron site in ferric superoxide dismutase from P. shermanii was analyzed by X-ray absorption spectroscopy. The metal-ligand cluster of the enzyme is found to be similar to the crystallographically investigated ferric superoxide dismutase from E. coli. At pH 6.4 the enzyme is five-fold coordinated with three histidines, an aspartate and a water molecule. The average bond lengths between the metal and the histidines are about 2.10 A, between metal and aspartate they are about 1.86 A and between metal and water 1.96 A. With an increase in pH a change in the coordination number from five to six is observed both in pre-edge peak and EXAFS spectra analysis. However, the bond lengths of the ligands do not change dramatically, they are conserved for the aspartate and increase slightly to 2.13 A for the average metal-histidine distance at pH 9.3. The observation of the increase in coordination number is correlated with a decrease in enzymatic activity which occurs in the high pH range. The zinc EXAFS spectra of P. shermanii superoxide dismutase have shown that zinc can be incorporated in the active center instead of the iron.

  6. Simulations of fine structures on the zero field steps of Josephson tunnel junctions

    DEFF Research Database (Denmark)

    Scheuermann, M.; Chi, C. C.; Pedersen, Niels Falsig

    1986-01-01

    are generated by the interaction of the bias current with the fluxon at the junction edges. On the first zero field step, the voltages of successive fine structures are given by Vn=[h-bar]/2e(2omegap/n), where n is an even integer. Applied Physics Letters is copyrighted by The American Institute of Physics....

  7. Temperature-dependent fine structure splitting in InGaN quantum dots

    Science.gov (United States)

    Wang, Tong; Puchtler, Tim J.; Zhu, Tongtong; Jarman, John C.; Kocher, Claudius C.; Oliver, Rachel A.; Taylor, Robert A.

    2017-07-01

    We report the experimental observation of temperature-dependent fine structure splitting in semiconductor quantum dots using a non-polar (11-20) a-plane InGaN system, up to the on-chip Peltier cooling threshold of 200 K. At 5 K, a statistical average splitting of 443 ± 132 μeV has been found based on 81 quantum dots. The degree of fine structure splitting stays relatively constant for temperatures less than 100 K and only increases above that temperature. At 200 K, we find that the fine structure splitting ranges between 2 and 12 meV, which is an order of magnitude higher than that at low temperatures. Our investigations also show that phonon interactions at high temperatures might have a correlation with the degree of exchange interactions. The large fine structure splitting at 200 K makes it easier to isolate the individual components of the polarized emission spectrally, increasing the effective degree of polarization for potential on-chip applications of polarized single-photon sources.

  8. Charge exchange and fine structure excitation in O-H+ collisions

    International Nuclear Information System (INIS)

    Chambaud, G.; Levy, B.; Millie, P.; Tran Minh, F.; Launay, J.M.; Roueff, E.

    1980-01-01

    The authors re-examine the charge-transfer reaction between protons and oxygen atoms including the fine-structure excitation process, basing the analysis on a careful description of the different potential curves arising from the O-H + and O + -H systems and on the evaluation of the coupling responsible for the transitions. (Auth.)

  9. The fine structure of the sperm and spermatid differentiation in the ...

    African Journals Online (AJOL)

    The fine structure of the sperm and spermatid differentiation in the brown mussel Perna perna. RIF. Bernard and A.N. Hodgson. Department of Zoology and Entomology, Rhodes University, Grahamstown. The mature sperm of Perna perna is 50-55 Ilm long and comprises three regions: a head, a mid-piece and a tail. The.

  10. ESR Fine Structure of Manganese Ions in Zeolite A Detects Strong Variations of the Coordination Environment

    NARCIS (Netherlands)

    Vos, D.E. de; Weckhuysen, B.M.; Bein, T.

    1996-01-01

    The electron spin resonance spectra of Mn 2+ exchanged zeolite A have been investigated as a function of the monovalent co-cation (K + ,Na + ,Li + ,Cs + ,or NH4 + ), Mn 2+ content, recording frequency, and temperature. Three new Mn 2+ species are observed with a well-resolved fine structure; this

  11. The architecture and fine structure of gill filaments in the brown ...

    African Journals Online (AJOL)

    The architecture and fine structure of gill filaments in the brown mussel, Perna perna. MA Gregory' and R.C, George. Electron Microscope Unit' and Department of Zoology, University of Durban-Westville, Private Bag X54001, Durban, 4000,. South Africa. TP. McClurg. CSIR, Division of Water, Environment and Forestry ...

  12. Investigation of radiation defects in solids using the EXAFS method

    International Nuclear Information System (INIS)

    Eritsyan, G.N.

    1983-01-01

    The exafs method is proposed as a more informative, universal one to investigate the radiation defects in solids. The successful results as obtained by the author using the synchrotron radiation source are reported for the first time. The measurements were carried out in GaAsP crystals irradiated with 50 MeV electrons

  13. Fine-structure energy levels, oscillator strengths and lifetimes in Cu XVI

    Science.gov (United States)

    Gupta, G. P.; Msezane, A. Z.

    2011-05-01

    We have performed large-scale CIV3 calculations of excitation energies from ground state for 69 fine-structure levels as well as of oscillator strengths and radiative decay rates for all electric-dipole-allowed and intercombination transitions among the fine-structure levels of the terms belonging to the (1s22s22p6)3s23p2, 3s3p3, 3p4, 3s23p3d, 3s23p4s, 3s23p4p, 3s23p4d, and 3s23p4f configurations of Cu XVI. These states are represented by very extensive configuration-interaction (CI) wave functions obtained with the computer code CIV3 of Hibbert. The important relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the energy values of those from the National Institute for Standards and Technology. The mixing among several fine-structure levels is found to be very strong. From our radiative decay rates we have also calculated radiative lifetimes of the fine-structure levels. Our calculated lifetime for the high spin level 3s3p3(5S2) is found to be in excellent agreement with the experimental value of Trabert et al (1988 J. Opt. Soc. Am. B 5 2173). In this calculation, we also predict new data for several fine-structure levels where no other theoretical and/or experimental results are available. ).

  14. Fine-structure energy levels, oscillator strengths and lifetimes in Al-like chromium

    Science.gov (United States)

    Gupta, G. P.; Msezane, A. Z.

    2014-01-01

    We have performed large scale calculations of excitation energies from ground state for 97 fine-structure levels as well as of oscillator strengths and radiative rates for all electric-dipole-allowed and intercombination transitions among the fine-structure levels of the terms belonging to the (1 s 22 s 22 p 6)3 s 23 p, 3 s3 p 2, 3 s 23 d, 3 p 3, 3 s3 p3 d, 3 p 23 d, 3 s3 d 2, 3 s 24 s, 3 s 24 p, 3 s 24 d, 3 s 24 f and 3 s3 p4 s configurations of Al-like chromium. These states are represented by very extensive configuration-interaction wave functions obtained with the configuration-interaction version 3 computer code of Hibbert. The important relativistic effects in intermediate coupling are included through the Breit-Pauli approximation. Small adjustments to the diagonal elements of Hamiltonian matrices have been made so that energy splittings are as close as possible to the energy values of the National Institute of Standards and Technology. From the radiative rates, we have also calculated radiative lifetimes of fine-structure levels. Generally, the calculated excitation energies, oscillator strengths and the radiative rates are found to be in good agreement with those obtained from other sophisticated calculations. However, significant differences between present calculated lifetimes and those from the calculation of Fischer and co-workers for a few fine-structure levels are noted and discussed. Also the present calculated lifetime for level 3 s 24 s(2 S 0.5) is found to be in excellent agreement with the experimental value given by Thornbury and co-workers. With this calculation, we also predict new data for several fine-structure levels, where no other theoretical and/or experimental results are available.

  15. Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations

    International Nuclear Information System (INIS)

    Bocharov, Dmitry; Chollet, Melanie; Krack, Matthias; Bertsch, Johannes; Grolimund, Daniel; Martin, Matthias; Kuzmin, Alexei; Purans, Juris; Kotomin, Eugene

    2016-01-01

    X-ray absorption spectroscopy is employed to study the local structure of pure and Cr-doped UO 2 at 300 K. The U L 3 -edge EXAFS spectrum is interpreted within the multiplescattering (MS) theory using the results of the classical and ab initio molecular dynamics simulations, allowing us to validate the accuracy of theoretical models. The Cr K-edge XANES is simulated within the full-multiple-scattering formalism considering a substitutional model (Cr at U site). It is shown that both unrelaxed and relaxed structures, produced by ab initio density functional theory (DFT) calculations, fail to describe the experiment. (paper)

  16. Electronic fine structure and recombination dynamics in single InAs quantum dots

    International Nuclear Information System (INIS)

    Seguin, R.

    2008-01-01

    In the work at hand single InAs/GaAs quantum dots (QDs) are examined via cathodoluminescence spectroscopy. A thorough analysis of the spectra leads to an unambiguous assignment of the lines to the decay of specific excitonic complexes. A special aspect of the Coulomb interaction, the exchange interaction, gives rise to a fine structure in the initial and final states of an excitonic decay. This leads to a fine structure in the emission spectra that again is unique for every excitonic complex. The exchange interaction is discussed in great detail in this work.QDs of different sizes are investigated and the influence on the electronic properties is monitored. Additionally, the structure is modified ex situ by a thermal annealing process. The changes of the spectra under different annealing temperatures are traced. Finally, recombination dynamics of different excitonic complexes are examined by performing time-resolved cathodoluminescence spectroscopy. (orig.)

  17. Electronic fine structure and recombination dynamics in single InAs quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Seguin, R.

    2008-01-28

    In the work at hand single InAs/GaAs quantum dots (QDs) are examined via cathodoluminescence spectroscopy. A thorough analysis of the spectra leads to an unambiguous assignment of the lines to the decay of specific excitonic complexes. A special aspect of the Coulomb interaction, the exchange interaction, gives rise to a fine structure in the initial and final states of an excitonic decay. This leads to a fine structure in the emission spectra that again is unique for every excitonic complex. The exchange interaction is discussed in great detail in this work.QDs of different sizes are investigated and the influence on the electronic properties is monitored. Additionally, the structure is modified ex situ by a thermal annealing process. The changes of the spectra under different annealing temperatures are traced. Finally, recombination dynamics of different excitonic complexes are examined by performing time-resolved cathodoluminescence spectroscopy. (orig.)

  18. Fine structure of α decay to rotational states of heavy nuclei

    Science.gov (United States)

    Wang, Y. Z.; Dong, J. M.; Peng, B. B.; Zhang, H. F.

    2010-06-01

    To gain a better insight into α-decay fine structure, we calculate the relative intensities of α decay to 2+ and 4+ rotational states in the framework of the generalized liquid drop model (GLDM) and improved Royer’s formula. The calculated relative intensities of α decay to 2+ states are in good agreement with the experimental data. For the relative intensities of α decay to 4+ states, a good agreement with experimental data is achieved for Th and U isotopes. The formula we obtain is useful for the analysis of experimental data of α-decay fine structure. In addition, some predicted relative intensities which are still not measured are provided for future experiments.

  19. Fine structure in plasma waves and radiation near the plasma frequency in Earth's foreshock

    Science.gov (United States)

    Cairns, Iver H.

    1994-01-01

    Novel observations are presented of intrunsic fine structure in the frequency spectrum of electomagnetic (EM) radiation and plasma waves near the electron plasma frequency f(sub p) during a period of unusually high interplanetary magnetic field strength. Measured using the wideband receiver on the International Sun-Earth Explorer (ISEE) 1 spacecraft, fine-structured emissions are observed both in the solar wind and the foreshock, The fine structure is shown to correspond to emissions spaced above f(sub p) near half harmonies of the electon cyclotron frequency f(sub ce), i.e., near f(sub p) + nf(sub ce)/2. These appear to be the first space physics observations of emissions spaced by f(sub ce)/2. Indirect but strong arguments are used to discriminate between EM and electrostatic (ES) signals, to identify whether ISEE 1 is in the solar wind or the foreshock, and to determine the relative frequencies of the emissions and the local f(sub p). The data are consistent with generation of the ES and EM emissions in the foreshock, with subsequent propagation of the EM emissions into the solar wind. It remains possible that some emissions currently identified as ES have significant EM character. The ES and EM emisions often merge into one another with minimal changes in frequency, arguing that their source regions and generation mechanisms are related and imposing significant constraints on theories. The f(sub ce)/2 ES and EM fine structures observed may be intrinsic to the emission mechanisms or to superposition of two series of signals with f(sub ce) spacing that differ in starting frequency by f(sub ce)/2. Present theories for nonlinear wave coupling processes, cyclotron maser emission, and other linear instability processes are all unable to explain multiple EM and/or ES components spaced by approximately f(sub ce)/2 above f(sub p) for f(sub p)/f(sub ce) much greater than 1 and typical for shock beams parameters. Suitable avenues for further theoretical research are

  20. Fine structural analysis of the stinger in venom apparatus of the scorpion Euscorpius mingrelicus (Scorpiones: Euscorpiidae

    Directory of Open Access Journals (Sweden)

    N Yigit

    2010-01-01

    Full Text Available In this study, the morphology, histology and fine structure of the stinger, a part of the venom apparatus of Euscorpius mingrelicus (Kessler, 1874 (Scorpiones: Euscorpiidae were studied by light microscopy and transmission electron microscopy (TEM. The stinger, located at the end section of the telson, is sickle-shaped. The venom is ejected through a pair of venom pores on its subterminal portion. Both venom ducts extend along the stinger without contact with each other since they are separated by connective tissue cells. The stinger cuticle is composed of two layers. Additionally, there are many pore canals and some hemolymph vessels in the cuticle. This work constitutes the first histological and fine structure study on Euscorpius mingrelicus stinger.

  1. Solar Cycle Fine Structure and Surface Rotation from Ca II K-Line Time Series Data

    Science.gov (United States)

    Scargle, Jeff; Keil, Steve; Worden, Pete

    2011-01-01

    Analysis of three and a half decades of data from the NSO/AFRL/Sac Peak K-line monitoring program yields evidence for four components to the variation: (a) the solar cycle, with considerable fine structure and a quasi-periodicity of 122.4 days; (b) a stochastic process, faster than (a) and largely independent of it, (c) a quasi-periodic signal due to rotational modulation, and of course (d) observational errors (shown to be quite small). Correlation and power spectrum analyses elucidate periodic and aperiodic variation of these chromospheric parameters. Time-frequency analysis is especially useful for extracting information about differential rotation, and in particular elucidates the connection between its behavior and fine structure of the solar cycle on approximately one-year time scales. These results further suggest that similar analyses will be useful at detecting and characterizing differential rotation in stars from stellar light-curves such as those being produced at NASA's Kepler observatory.

  2. Evidence from n=2 fine structure transitions for the production of fast excited state positronium

    International Nuclear Information System (INIS)

    Ley, R.; Niebling, K.D.; Schwarz, R.; Werth, G.

    1990-01-01

    Fine structure transitions in the first excited state of positronium (Ps) have been measured using 'Backscatter Ps' production on a Mo surface by observation of a change in the emitted Lyman-α intensity under resonant microwave irradiation. Production, fine structure transitions and Lyman-α decay of the Ps atoms took place inside a waveguide designed to transmit the microwave frequencies of 8.6, 13.0 and 18.5 GHz for the transitions from the 2 3 S 1 state to the 2 3 P J , J=2, 1, 0, states, respectively. In the presence of a magnetic field, all transitions observed show a shift to higher frequencies, compared with earlier calculations and measurements in zero magnetic field. The deviations exceed the expected Zeeman shift significantly but may be explained by assuming a motional Stark effect for Ps with kinetic energies of several eV. (author)

  3. Preferred Compression Speed for Speech and Music and Its Relationship to Sensitivity to Temporal Fine Structure

    OpenAIRE

    Moore, Brian C. J.; S?k, Aleksander

    2016-01-01

    Multichannel amplitude compression is widely used in hearing aids. The preferred compression speed varies across individuals. Moore (2008) suggested that reduced sensitivity to temporal fine structure (TFS) may be associated with preference for slow compression. This idea was tested using a simulated hearing aid. It was also assessed whether preferences for compression speed depend on the type of stimulus: speech or music. Twenty-two hearing-impaired subjects were tested, and the stimulated h...

  4. Single-particle effects in fine structure of super-asymmetric fission

    International Nuclear Information System (INIS)

    Mirea, M.

    1999-01-01

    Energy spectrum measurements concerning the 14 C decay from 223 Ra revealed a fine structure with an intense branch on the excited state of the daughter 209 Pb. Apart the great number of microscopic--macroscopic attempts of different authors in describing this behavior (compiled recently), this phenomenon was explained quantitatively using the Landau--Zener effect, i.e., the promotion mechanism of a unpaired nucleon between two levels characterised by the same quantum numbers connected to some symmetries of the nuclear system in the region where an avoided level crossing is exhibited. The adiabatic levels during the super-asymmetric fission process were determined with a new version of the two--centre shell model especially constructed for very large mass--asymmetries. The half--lives are obtained in the framework of the Wentzel--Kramers--Brillouin approximation. The amount of the variation of the barrier height in the excited channels was estimated accounting the specialization energy which can be interpreted as the excess of the energy of a nucleon with a given spin over the energy for the same spin nucleon state of lowest energy. It is evidenced that the fine structure of cluster decay is due to two competitive effects: the Landau--Zener effect which enhances the probability to have an excited daughter in the final channel and the specialization energy which increases the potential barrier and therefore leads to a diminution of the penetrability. This formalism was used for predictions of the fine structure in the case of 14 C decay of 225 Ac and to explain the fine structure of alpha decay. (author)

  5. Fine-structure energy levels and radiative rates in Si-like chlorine

    Science.gov (United States)

    Gupta, G. P.; Tayal, Vikas; Msezane, A. Z.

    2012-01-01

    Excitation energies and radiative rates for electric dipole (E1) transitions among the 86 fine-structure levels belonging to the configurations (1 s 22 s 22 p 6)3 s 23 p 2, 3 s3 p 3, 3 s 23 p3 d, 3 p 4, 3 s 23 p4 s, 3 s 23 p4 p, 3 s3 p 2(2 S)4 s, 3 s3 p 2(2 P)4 s, 3 s3 p 2(4 P)4 s, 3 s3 p 2(2 D)4 s, 3 s 23 p4 d and 3 s 23 p4 f of Cl IV are calculated using extensive configuration-interaction (CI) wave functions obtained with the CIV3 computer code of Hibbert. The relativistic effects in intermediate coupling are incorporated by means of the Breit-Pauli Hamiltonian. In order to keep the calculated energy splittings close to the energy values of the National Institute for Standards and Technology, we have made small adjustments to the diagonal elements of the Hamiltonian matrices. Our calculated energy levels, including their orderings, are in excellent agreement with the available NIST values. The mixing among several fine-structure levels is found to be very strong. From our radiative rates we have also calculated radiative lifetimes of the fine-structure levels. Significant differences between our calculated lifetimes and those from a sophisticated calculation for a few low lying levels are noted and discussed. In this calculation, we also predict new data for several fine-structure levels where no other theoretical and/or experimental results are available.

  6. Atomic oxygen fine-structure splittings with tunable far-infrared spectroscopy

    Science.gov (United States)

    Zink, Lyndon R.; Evenson, Kenneth M.; Matsushima, Fusakazu; Nelis, Thomas; Robinson, Ruth L.

    1991-01-01

    Fine-structure splittings of atomic oxygen (O-16) in the ground state have been accurately measured using a tunable far-infrared spectrometer. The 3P0-3pl splitting is 2,060,069.09 (10) MHz, and the 3Pl-3P2 splitting is 4,744,777.49 (16) MHz. These frequencies are important for measuring atomic oxygen concentration in earth's atmosphere and the interstellar medium.

  7. Phonon density of states of cadmium iodide deduced from the fine structure of the 3A2g → 1Eg electronic transition of nickel(2+) ion-doped cadmium iodide.

    NARCIS (Netherlands)

    Kuindersma, S. R.; Boudewijn, Pieter Reinder

    1978-01-01

    The absorption and MCD spectra of the 3A2g → 1Eg transition of CdI2:Ni2+ at ∼ 12,500 cm-1 were measured. The unusual vibronic fine structure is explained by the coupling of the phonons of the CdI2 lattice to the electronic states of Ni2+. The dispersion curves for the acoustical and optical branches

  8. X-ray Absorption Spectroscopy Characterization of Electrochemical Processes in Renewable Energy Storage and Conversion Devices

    Energy Technology Data Exchange (ETDEWEB)

    Farmand, Maryam [George Washington Univ., Washington, DC (United States)

    2013-05-19

    The development of better energy conversion and storage devices, such as fuel cells and batteries, is crucial for reduction of our global carbon footprint and improving the quality of the air we breathe. However, both of these technologies face important challenges. The development of lower cost and better electrode materials, which are more durable and allow more control over the electrochemical reactions occurring at the electrode/electrolyte interface, is perhaps most important for meeting these challenges. Hence, full characterization of the electrochemical processes that occur at the electrodes is vital for intelligent design of more energy efficient electrodes. X-ray absorption spectroscopy (XAS) is a short-range order, element specific technique that can be utilized to probe the processes occurring at operating electrode surfaces, as well for studying the amorphous materials and nano-particles making up the electrodes. It has been increasingly used in recent years to study fuel cell catalysts through application of the and #916; and mgr; XANES technique, in combination with the more traditional X-ray Absorption Near Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) techniques. The and #916; and mgr; XANES data analysis technique, previously developed and applied to heterogeneous catalysts and fuel cell electrocatalysts by the GWU group, was extended in this work to provide for the first time space resolved adsorbate coverages on both electrodes of a direct methanol fuel cell. Even more importantly, the and #916; and mgr; technique was applied for the first time to battery relevant materials, where bulk properties such as the oxidation state and local geometry of a cathode are followed.

  9. Topological map of the Hofstadter butterfly: Fine structure of Chern numbers and Van Hove singularities

    Energy Technology Data Exchange (ETDEWEB)

    Naumis, Gerardo G., E-mail: naumis@fisica.unam.mx [Departamento de Física–Química, Instituto de Física, Universidad Nacional Autónoma de México (UNAM), Apartado Postal 20-364, 01000 México, Distrito Federal (Mexico); Department of Physics and Astronomy, George Mason University, Fairfax, VA 22030 (United States); Escuela Superior de Física y Matemáticas, ESIA-Zacatenco, Instituto Politécnico Nacional, México D.F. (Mexico)

    2016-04-29

    The Hofstadter butterfly is a quantum fractal with a highly complex nested set of gaps, where each gap represents a quantum Hall state whose quantized conductivity is characterized by topological invariants known as the Chern numbers. Here we obtain simple rules to determine the Chern numbers at all scales in the butterfly fractal and lay out a very detailed topological map of the butterfly by using a method used to describe quasicrystals: the cut and projection method. Our study reveals the existence of a set of critical points that separates orderly patterns of both positive and negative Cherns that appear as a fine structure in the butterfly. This fine structure can be understood as a small tilting of the projection subspace in the cut and projection method and by using a Chern meeting formula. Finally, we prove that the critical points are identified with the Van Hove singularities that exist at every band center in the butterfly landscape. - Highlights: • Use a higher dimensional approach to build a topological map of the Hofstadter butterfly. • There is a fine structure of Chern numbers around each rational flux. • Van Hove singularities are limiting points for topological sequences of the fine flux.

  10. Doppler-free spectroscopy of the atomic rubidium fine structure using ultrafast spatial coherent control method

    Science.gov (United States)

    Kim, Minhyuk; Kim, Kyungtae; Lee, Woojun; Kim, Hyosub; Ahn, Jaewook

    2017-04-01

    Spectral programming solutions for the ultrafast spatial coherent control (USCC) method to resolve the fine-structure energy levels of atomic rubidium are reported. In USCC, a pair of counter-propagating ultrashort laser pulses are programmed to make a two-photon excitation pattern specific to particular transition pathways and atom species, thus allowing the involved transitions resolvable in space simultaneously. With a proper spectral phase and amplitude modulation, USCC has been also demonstrated for the systems with many intermediate energy levels. Pushing the limit of system complexity even further, we show here an experimental demonstration of the rubidium fine-structure excitation pattern resolvable by USCC. The spectral programming solution for the given USCC is achieved by combining a double-V-shape spectral phase function and a set of phase steps, where the former distinguishes the fine structure and the latter prevents resonant transitions. The experimental results will be presented along with its application in conjunction with the Doppler-free frequency-comb spectroscopy for rubidium hyperfine structure measurements. Samsung Science and Technology Foundation [SSTFBA1301-12].

  11. 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

  12. Fine structural observation on the oogenesis and vitellogenesis of the Chinese soft-shelled turtle ( Pelodiseus sinensis).

    Science.gov (United States)

    Hei, Nainan; Yang, Ping; Yang, Yang; Liu, Jinxiong; Bao, Huijun; Liu, Haili; Zhang, Hui; Chen, Qiusheng

    2010-05-01

    Fine structure observations were performed by means of electron microscopy on oogenesis and vitellogenesis and the special functions of follicular cells in the Chinese soft-shelled turtle (Pelodiseus sinensis). Histological examination of the ovary showed a well developed lacunae system containing fine granules, fibres or gelatiniform materials with one or two germinal beds dispersed on the dorsal surface of the ovarian cortex. The process of oogenesis comprised 10 consecutive phases according to the morphology of the yolk platelets, follicular cells and zona pellucida (ZP). Electron microscopy of vitellogenesis revealed some of the mitochondria gradually being transformed into yolk granules. In the advanced stage of vitellogenesis, large amounts of rough endoplasmic reticula, Golgiosomes and other cell organelles that are involved in synthesis and secretion were observed in follicular cells. The ZP was formed by microvilli, thus increasing the absorptive surface of the oocyte and facilitating transport of nutrients from the follicular epithelium to the ooplasm. This study demonstrated that the ovaries of members of the Testudinidae share more features with Archosaurs than with Squamates, indicating that these features were phylogenetically conserved in the Archosauria. The present observations suggest that the accumulation of yolk materials was controlled by the intrinsic and extrinsic pathways as well as by the activity of follicular cells. These results might also support a sibling relationship of the Testudinidae with the Archosauria and not with all extant reptiles.

  13. EXAFS investigations of Cu-Mg-O compound

    CERN Document Server

    Sidorenko, A F; Babanov, Y A; Naumov, S V; Samokhvalov, A A

    2001-01-01

    The interest to systems containing copper oxide is connected with the problem of high-temperature superconductivity because of the closeness of its basic physical properties and properties of superconductor mother Cu-compounds. In this work, EXAFS study of the Cu sub 0 sub . sub 2 Mg sub 0 sub . sub 8 O compound is presented. A new iterative algorithm of the solution of ill-posed problem on determining three partial pair correlation functions from one EXAFS-data set near the Cu K-edge is described. The results of X-ray scattering study of a given sample show a presence of a single phase with the MgO structure and a lattice parameter of 4.219 A instead of 4.208 A for pure MgO. From the EXAFS investigations, we find the local distortion of the lattice. We revealed that the short range order differs both from a hypothetical alloy with the MgO structure and from copper oxide.

  14. Temperature-dependent magnetic EXAFS investigation of Gd

    CERN Document Server

    Wende, H; Poulopoulos, P N; Rogalev, A; Goulon, J; Schlagel, D L; Lograsso, T A; Baberschke, K

    2001-01-01

    Magnetic EXAFS (MEXAFS) is the helicity-dependent counterpart of the well-established EXAFS technique. By means of MEXAFS it is possible not only to analyze the local magnetic structure but also to learn about magnetic fluctuations. Here we present the MEXAFS of a Gd single crystal at the L sub 3 sub , sub 2 -edges in the temperature range of 10-250 K. For the first time MEXAFS was probed over a large range in reduced temperature of 0.04<=T/T sub C<=0.85 with T sub C =293 K. We show that the vibrational damping described by means of a Debye temperature of theta sub D =160 K must be taken into account for the spin-dependent MEXAFS before analyzing magnetic fluctuations. For a detailed analysis of the MEXAFS and the EXAFS, the experimental data are compared to ab initio calculations. This enables us to separate the individual single- from the multiple-scattering contributions. The MEXAFS data have been recorded at the ID 12A beamline of the European Synchrotron Radiation Facility (ESRF). To ensure that th...

  15. Deciphering the Role of Charge Compensator in Optical Properties of SrWO4:Eu3+:A (A = Li+, Na+, K+): Spectroscopic Insight Using Photoluminescence, Positron Annihilation, and X-ray Absorption.

    Science.gov (United States)

    Gupta, Santosh Kumar; Sudarshan, Kathi; Yadav, Ashok Kumar; Gupta, Ruma; Bhattacharyya, Dibyendu; Jha, Shambhu Nath; Kadam, Ramakant Mahadeo

    2018-01-16

    Studies have been carried out to understand the specific role of the alkali charge compensator on the luminescence properties of an alkali ion (Li + , Na + , and K + ) codoped SrWO 4 :Eu phosphor. The oxidation state of the europium ion was found to be +3 on the basis of X-ray absorption near edge structure (XANES) measurements. This is the first report of its kind where opposite effects of Li + ion and Na + /K + ions on photoluminescence intensity have been observed. Li + ion codoping enhanced the photoluminescence intensity from SrWO 4 :Eu 3+ phosphor while Na + /K + ion codoping did not. On the other hand, the luminescence lifetime is maximum for the Na + ion codoped sample and minimum for the Li + ion codoped sample. The results could be explained successfully using time-resolved luminescence, positron annihilation lifetime spectroscopy (PALS), and extended X-ray absorption fine structure (EXAFS) spectroscopy measurements. Changes in the Eu-O bond length and Debye-Waller Factor (σ 2 ) upon Li + /Na + /K + codoping were monitored through EXAFS measurements. PALS also highlighted the fact that Li + codoping is not contributing to reduction in the cation vacancies and might be occupying interstitial sites rather than lattice positions due to its very small size. On europium doping there is lowering in symmetry of SrO 8 polyhedra from S 4 to C 6 , which is reflected in an intense electric dipole transition in comparison to the magnetic dipole transition. This is also corroborated using trends in Judd-Ofelt parameters. The results have shown that the luminescence lifetime is better when the vacancy concentration is lower as induced by Na + and K + codoping, while the emission intensity is higher in the samples when distortion around Eu 3+ is reduced as induced by Li + codoping.

  16. Measurement of X-ray attenuation coefficients around K-absorption edges using Fe Kα X-rays

    International Nuclear Information System (INIS)

    Kerur, B.R.; Thontadarya, S.R.; Hanumaiah, B.

    1993-01-01

    The x-ray mass attenuation coefficients were measured around the K-absorption edges of elements in the range 16 ≤ Z ≤ 30 using Fe Kα x-rays of energy 6.400 keV, which is the weighted average energy of Kα 1 and Kα 2 x-ray components from the 57 Co radioactive source. Kβ x-rays were almost eliminated by the differential absorption technique. The small difference in energy between Kα 1 and Kα 2 , 13 eV, was shown to be inconsequential by comparing the measured and theoretical values of μ/ρ for standard materials such as Al, Cu, Mo and Ta. The effect of fine structure of the K-absorption edge on μ/ρ was elucidated by using the compounds of elements in the range 16 ≤ X ≤ 30, containing one element with its K-absorption edge energy (E k ) close to the incident photon energy (E x ). The results clearly indicate the validity of the theoretical mixture rule for all those compounds whose K edge is far away from the incident energy but show deviations of as much as 10% for the manganese compound whose K edge is 140 eV above E x and about 12% for the chromium compound whose K edge is 410 eV below E x . These deviations are attributed to the possible influence of resonance Raman scattering when the incident photon energy E x is less than the edge and to the influence of EXAFS when E x is more than the edge energy. (Author)

  17. Coordination chemistry and hydrolysis of Fe(III) in a peat humic acid studied by X-ray absorption spectroscopy

    Science.gov (United States)

    Karlsson, Torbjörn; Persson, Per

    2010-01-01

    The speciation of iron (Fe) in soils, sediments and surface waters is highly dependent on chemical interactions with natural organic matter (NOM). However, the molecular structure and hydrolysis of the Fe species formed in association with NOM is still poorly described. In this study extended X-ray absorption fine structure (EXAFS) spectroscopy was used to determine the coordination chemistry and hydrolysis of Fe(III) in solution of a peat humic acid (5010-49,200 μg Fe g -1 dry weight, pH 3.0-7.2). Data were analyzed by both conventional EXAFS data fitting and by wavelet transforms in order to facilitate the identification of the nature of backscattering atoms. Our results show that Fe occurs predominantly in the oxidized form as ferric ions and that the speciation varies with pH and Fe concentration. At low Fe concentrations (5010-9920 μg g -1; pH 3.0-7.2) mononuclear Fe(III)-NOM complexes completely dominates the speciation. The determined bond distances for the Fe(III)-NOM complexes are similar to distances obtained for Fe(III) complexed by desferrioxamine B and oxalate indicating the formation of a five-membered chelate ring structure. At higher Fe concentrations (49,200 μg g -1; pH 4.2-6.9) we detect a mixture of mononuclear Fe(III)-NOM complexes and polymeric Fe(III) (hydr)oxides with an increasing amount of Fe(III) (hydr)oxides at higher pH. However, even at pH 6.9 and a Fe concentration of 49,200 μg g -1 our data indicates that a substantial amount of the total Fe (>50%) is in the form of organic complexes. Thus, in environments with significant amounts of organic matter organic Fe complexes will be of great importance for the geochemistry of Fe. Furthermore, the formation of five-membered chelate ring structures is in line with the strong complexation and limited hydrolytic polymerization of Fe(III) in our samples and also agrees with EXAFS derived structures of Fe(III) in organic soils.

  18. Application of X-ray absorption spectroscopy and molecular dynamics simulation to study the atomistic solvation structure of tetraglyme:KSCN electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Chaodamrongsakul, Jittima [Faculty of Engineering, Vongchavalitkul University, Nakhon Ratchasima (Thailand); Klysubun, Wantana [Synchrotron Light Research Institute (Public Organization), Nakhon Ratchasima (Thailand); Vao-soongnern, Visit, E-mail: visit@sut.ac.th [School of Chemistry, Institute of Science, Suranaree University of Technology (Thailand)

    2014-02-14

    The atomistic solvation structure of tetraglyme:KSCN (TET:KSCN) electrolytes with various K{sup +}:ether oxygen (M:O) ratio were studied by a combination of molecular dynamic (MD) simulation and Extended X-Ray Absorption Fine Structure (EXAFS) called “MD-EXAFS” method. This method gives useful information at the atomistic scale including the average distance between atom pair around the probed ion (R{sub 0}) and Coordination Number (N). MD simulation results suggest that K{sup +} ions are mostly coordinated to ether oxygen and the conformation around C–C bond prefer the gauche state and TET becomes more compact shape. K{sup +} ions are also coordinated to thiocyanate (SCN{sup −}) anion at both nitrogen and sulfur atoms due to strong electron delocalization over three atoms in SCN{sup −} (S, C and N). A comparison between MD-EXAFS with the experimental spectra gives an overall good agreement for both frequency and amplitude of the oscillations. - Graphical abstract: A snapshot from MD simulation of TET:KSCN complex that represent the solvation structure of K{sup +} ion by TET oxygens and SCN{sup −} anion. The most probable case is the solvation by 1 TET chain with 3 oxygen atoms and 2 SCN{sup −} anion. - Highlights: • This work combines MD simulation and XAS to study polymer electrolytes. • Doping KSCN can slightly induce the conformational change of TET chain. • Both polymer and anions are included in first solvation shell of cation.

  19. A Nonlinear Transmission Line Model of the Cochlea With Temporal Integration Accounts for Duration Effects in Threshold Fine Structure

    DEFF Research Database (Denmark)

    Verhey, Jesko L.; Mauermann, Manfred; Epp, Bastian

    2017-01-01

    than for long signals. The present study demonstrates how this effect can be captured by a nonlinear and active model of the cochlear in combination with a temporal integration stage. Since this cochlear model also accounts for fine structure and connected level dependent effects, it is superior......For normal-hearing listeners, auditory pure-tone thresholds in quiet often show quasi periodic fluctuations when measured with a high frequency resolution, referred to as threshold fine structure. Threshold fine structure is dependent on the stimulus duration, with smaller fluctuations for short...

  20. Study of Ga incorporation in glassy arsenic selenides by high-resolution XPS and EXAFS

    Energy Technology Data Exchange (ETDEWEB)

    Golovchak, R., E-mail: holovchakr@apsu.edu [Department of Physics and Astronomy, Austin Peay State University, Clarksville, Tennessee 37044 (United States); Shpotyuk, Ya. [Equipe Verres et Céramiques UMR-CNRS 6226, Université de Rennes 1, 35042 Rennes Cedex (France); Scientific Research Company “Carat”, 202, Stryjska Str., 79031 Lviv (Ukraine); Nazabal, V.; Boussard-Pledel, C.; Bureau, B. [Equipe Verres et Céramiques UMR-CNRS 6226, Université de Rennes 1, 35042 Rennes Cedex (France); Cebulski, J. [Center for Microelectronics and Nanotechnology, University of Rzeszow, 1, Pigonia Str., 35-310 Rzeszow (Poland); Jain, H. [Department of Materials Science and Engineering, Lehigh University, 5 East Packer Avenue, Bethlehem, Pennsylvania 18015-3195 (United States)

    2015-05-14

    Effect of Ga addition on the structure of vitreous As{sub 2}Se{sub 3} is studied using high-resolution X-ray photoelectron spectroscopy and extended X-ray absorption fine structure techniques. The “8-N” rule is shown to be violated for Ga atoms and, possibly, for certain number of As atoms. On the contrary, Se keeps its 2-fold coordination according to “8-N” rule in the amorphous phase throughout all the compositions. Crystalline inclusions appear in the amorphous structure of the investigated glasses at Ga concentrations greater than 3 at. %. These inclusions are presumably associated with Ga{sub 2}Se{sub 3} crystallites and transition phases/defects formed at the boundaries of these crystallites and host amorphous matrix. The existence of Ga–As and Se–Se bonds in the samples with higher Ga content is supported by present studies.

  1. A new incorporation mechanism for trivalent actinides into bioapatite: a TRLFS and EXAFS study.

    Science.gov (United States)

    Holliday, Kiel; Handley-Sidhu, Stephanie; Dardenne, Kathy; Renshaw, Joanna; Macaskie, Lynne; Walther, Clemens; Stumpf, Thorsten

    2012-02-28

    One of the most toxic byproducts of nuclear power and weapons production is the transuranics, which have a high radiotoxicity and long biological half-life due to their tendency to accumulate in the skeletal system. This accumulation is inhomogeneous and has been associated with the chemical properties and structure of the bone material rather than its location or function. This suggests a chemical driving force to incorporation and requires an atomic scale mechanistic understanding of the incorporation process. Here we propose a new incorporation mechanism for trivalent actinides and lanthanides into synthetic and biologically produced hydroxyapatite. Time-resolved laser fluorescence spectroscopy and extended X-ray absorption fine structure have been used to demonstrate that trivalent actinides and lanthanides incorporate into the amorphous grain boundaries of apatite. This incorporation site can be used to explain patterns in uptake and distribution of radionuclides in the mammalian skeletal system. © 2012 American Chemical Society

  2. Energy dispersive-EXAFS of Pd nucleation at a liquid/liquid interface

    Science.gov (United States)

    Chang, S.-Y.; Booth, S. G.; Uehara, A.; Mosselmans, J. F. W.; Cibin, G.; Pham, V.-T.; Nataf, L.; Dryfe, R. A. W.; Schroeder, S. L. M.

    2016-05-01

    Energy dispersive extended X-ray absorption fine structure (EDE) has been applied to Pd nanoparticle nucleation at a liquid/liquid interface under control over the interfacial potential and thereby the driving force for nucleation. Preliminary analysis focusing on Pd K edge-step height determination shows that under supersaturated conditions the concentration of Pd near the interface fluctuate over a period of several hours, likely due to the continuous formation and dissolution of sub-critical nuclei. Open circuit potential measurements conducted ex-situ in a liquid/liquid electrochemical cell support this view, showing that the fluctuations in Pd concentration are also visible as variations in potential across the liquid/liquid interface. By decreasing the interfacial potential through inclusion of a common ion (tetraethylammonium, TEA+) the Pd nanoparticle growth rate could be slowed down, resulting in a smooth nucleation process. Eventually, when the TEA+ ions reached an equilibrium potential, Pd nucleation and particle growth were inhibited.

  3. Regular variation of the fine structure of statistical distributions as a consequence of cosmophysical agents

    International Nuclear Information System (INIS)

    Shnoll, S E; Zenchenko, T A; Zenchenko, K I; Pozharskii, E V; Kolombet, V A; Konradov, Alexander A

    2000-01-01

    Considered is the statistical ground of the certainty of cosmophysical effects on the fine structure of distributions governing the results of measurements in various physical processes. We show that the previously discussed effects of synchronous variations of histogram shapes in independent processes, and the periodical occurrence of histograms of a particular shape, do not depend on the form of the integral distribution. The adequacy of visual (expert) estimation when comparing the shapes of histograms as an alternative to the standard statistical methods is justified. (letters to the editors)

  4. The fine structure levels for ground states of negative ions of nitrogen and phosphorus

    Directory of Open Access Journals (Sweden)

    Leyla Özdemir

    2013-01-01

    Full Text Available The fine structure levels for negative ions (anions of nitrogen and phosphorus have been investigated using multiconfiguration Hartree-Fock method within the framework of Breit-Pauli Hamiltonian (MCHF+BP. Nitrogen and phosphorus have half-filled outer shell in ground state 1s22s22p3 4S and 1s22s22p33s23p3 4S, respectively. It has been stated in most works that the negative ion of nitrogen is instable whereas the negative ion of phosphorus is stable. The results obtained have been compared with other works.

  5. The fine structure of the sperm of the round goby (Neogobius melanostomus)

    Science.gov (United States)

    Allen, Jeffrey D.; Walker, Glenn K.; Nichols, Susan J.; Sorenson, Dorothy

    2004-01-01

    The fine structural details of the spermatozoon of the round goby are presented for the first time in this study. Scanning and transmission electron microscopic examination of testis reveals an anacrosomal spermatozoon with a slightly elongate head and uniformly compacted chromatin. The midpiece contains a single, spherical mitochondrion. Two perpendicularly oriented centrioles lie in a deep, eccentric nuclear fossa with no regularly observed connection to the nucleus. The flagellum develops bilateral fins soon after emerging from the fossa; each extends approximately 1 A?m from the axoneme and persists nearly the length of the flagellum.

  6. Evolution of the fine-structure constant in runaway dilaton models

    Directory of Open Access Journals (Sweden)

    C.J.A.P. Martins

    2015-04-01

    Full Text Available We study the detailed evolution of the fine-structure constant α in the string-inspired runaway dilaton class of models of Damour, Piazza and Veneziano. We provide constraints on this scenario using the most recent α measurements and discuss ways to distinguish it from alternative models for varying α. For model parameters which saturate bounds from current observations, the redshift drift signal can differ considerably from that of the canonical ΛCDM paradigm at high redshifts. Measurements of this signal by the forthcoming European Extremely Large Telescope (E-ELT, together with more sensitive α measurements, will thus dramatically constrain these scenarios.

  7. Evolution of the fine-structure constant in runaway dilaton models

    Energy Technology Data Exchange (ETDEWEB)

    Martins, C.J.A.P., E-mail: Carlos.Martins@astro.up.pt [Centro de Astrofísica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Instituto de Astrofísica e Ciências do Espaço, CAUP, Rua das Estrelas, 4150-762 Porto (Portugal); Vielzeuf, P.E., E-mail: pvielzeuf@ifae.es [Institut de Física d' Altes Energies, Universitat Autònoma de Barcelona, E-08193 Bellaterra (Barcelona) (Spain); Martinelli, M., E-mail: martinelli@thphys.uni-heidelberg.de [Institute for Theoretical Physics, University of Heidelberg, Philosophenweg 16, 69120, Heidelberg (Germany); Calabrese, E., E-mail: erminia.calabrese@astro.ox.ac.uk [Sub-department of Astrophysics, University of Oxford, Keble Road, Oxford OX1 3RH (United Kingdom); Pandolfi, S., E-mail: stefania@dark-cosmology.dk [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen (Denmark)

    2015-04-09

    We study the detailed evolution of the fine-structure constant α in the string-inspired runaway dilaton class of models of Damour, Piazza and Veneziano. We provide constraints on this scenario using the most recent α measurements and discuss ways to distinguish it from alternative models for varying α. For model parameters which saturate bounds from current observations, the redshift drift signal can differ considerably from that of the canonical ΛCDM paradigm at high redshifts. Measurements of this signal by the forthcoming European Extremely Large Telescope (E-ELT), together with more sensitive α measurements, will thus dramatically constrain these scenarios.

  8. Fine-structural effects of 1200-R abdominal x irradiation on rat intestinal epithelium

    International Nuclear Information System (INIS)

    Lieb, R.J.; McDonald, T.F.; McKenney, J.R.

    1977-01-01

    Male Charles River CD rats were shielded from the xiphoid process cranially with lead and were exposed to 1200-R abdominal x irradiation. Animals were sacrificed at 1 through 4 days following irradiation and tissues from both ileum and jejunum were prepared for electron microscopic examination. At the fine-structural level early changes were confined to a proliferation and dilation of smooth endoplasmic reticulum and to an increase in the number of lysosomes. At 4 days postirradiation, cells covering the villi were cuboidal rather than columnar and appeared to be immature crypt-type cells. The appearance of these cells was coincident with the onset of diarrhea in these animals

  9. The variation of the fine-structure constant from disformal couplings

    OpenAIRE

    van de Bruck, Carsten; Mifsud, Jurgen; Nunes, Nelson J.

    2015-01-01

    We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, alpha. As a result, the theory we consider can explain the non-zero reported variation in the evolution of alpha by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disforma...

  10. EXANA, a program for analysing EXtended energy loss fine structures, EXELFS spectra

    International Nuclear Information System (INIS)

    Tafreshi, M.A.; Bohm, C.; Csillag, S.

    1992-09-01

    This paper is a users guide and reference manual for the EXANA, an IBM or IBM compatible PC-based program used for analysing extended fine structures occurring on the high energy side of the ionisation edges. The RDF (Radial Distance Function) obtained from this analysis contains information about the number, distance, and type of the nearby atoms, as well as the inelastic mean free path and disorder in distances from the centre atom to the atoms in a atomic shell around it. The program can be made available on request. (au)

  11. Relations between frequency selectivity, temporal fine-structure processing, and speech reception in impaired hearing

    DEFF Research Database (Denmark)

    Strelcyk, Olaf; Dau, Torsten

    2009-01-01

    Frequency selectivity, temporal fine-structure (TFS) processing, and speech reception were assessed for six normal-hearing (NH) listeners, ten sensorineurally hearing-impaired (HI) listeners with similar high-frequency losses, and two listeners with an obscure dysfunction (OD). TFS processing...... was investigated at low frequencies in regions of normal hearing, through measurements of binaural masked detection, tone lateralization, and monaural frequency modulation (FM) detection. Lateralization and FM detection thresholds were measured in quiet and in background noise. Speech reception thresholds were...... in a two-talker background and lateralized noise, but not in amplitude-modulated noise. The results provide constraints for future models of impaired auditory signal processing....

  12. The fine structure of muscle attachments in a spider (Latrodectus mactans, Fabr.).

    Science.gov (United States)

    Smith, D S; Järlfors, U; Russell, F E

    1969-01-01

    The fine structure of a spider myo-apodeme junction is described, and discussed in terms of other arthropod muscle attachments. This is contrasted with the situation in the venom gland, equipped with muscle fibers that control expulsion of the secreted material. The latter involves a cell-free collagenous matrix, lying between the muscle cells and the sheath of the gland. As in other arthropods, skeletal fibers are attached to the apodeme cuticle via specialized epidermal cells, containing oriented microtubules. Interdigitations between these cells and muscle, basally, and cuticle, apically, are described. Extracellular tonofibrillae described elsewhere are inconspicuous in the apodeme cuticle.

  13. Local structure of Fe in Fe-doped misfit-layered calcium cobaltite: An X-ray absorption spectroscopy study

    International Nuclear Information System (INIS)

    Prasoetsopha, Natkrita; Pinitsoontorn, Supree; Bootchanont, Atipong; Kidkhunthod, Pinit; Srepusharawoot, Pornjuk; Kamwanna, Teerasak; Amornkitbamrung, Vittaya; Kurosaki, Ken; Yamanaka, Shinsuke

    2013-01-01

    Polycrystalline Ca 3 Co 4−x Fe x O 9+δ ceramics (x=0, 0.01, 0.03, 0.05) were fabricated using a simple thermal hydro-decomposition method and a spark plasma sintering technique. Thermoelectric property measurements showed that increasing Fe concentration resulted in a decrease in electrical resistivity, thermopower and thermal conductivity, leading to an improvement in the dimensionless figure-of-merit, >35% for x=0.05 at 1073 K. An X-ray absorption spectroscopy technique was used to investigate the local structure of Fe ions in the Ca 3 Co 4−x Fe x O 9+δ structure for the first time. By fitting data from the extended X-ray absorption fine structure (EXAFS) spectra and analyzing the X-ray absorption near-edge structure (XANES) spectra incorporated with first principle simulation, it was shown that Fe was substituted for Co in the the Ca 2 CoO 3 (rocksalt, RS) layer rather than in the CoO 2 layer. Variation in the thermoelectric properties as a function of Fe concentration was attributed to charge transfer between the CoO 2 and the RS layers. The origin of the preferential Fe substitution site was investigated considering the ionic radii of Co and Fe and the total energy of the system. - Graphical abstract: The Fe K-edge XANES spectra of: (a) experimental result in comparison to the simulated spectra when Fe atoms were substituted in the RS layer; (b) with magnetic moment; (c) without magnetic moment, and in the CoO 2 layer; (d) with magnetic moment and (e) without magnetic moment. Highlights: • Synthesis, structural studies, and thermoelectric properties of Ca 3 Co 4−x Fe x O 9+δ . • Direct evidence for the local structure of the Fe ions in the Ca 3 Co 4−x Fe x O 9+δ using XAS analysis. • EXAFS and XANES analysis showed that Fe was likely to be situated in the RS layer structure. • Changes in TE property with Fe content was due to charge transfer between the CoO 2 and the RS layers. • Total energy calculation showed energetically favorable Fe

  14. Fine structure of uterus and non-functioning paruterine organ in Orthoskrjabinia junlanae (Cestoda, Cyclophyllidea).

    Science.gov (United States)

    Korneva, Janetta V; Kornienko, Svetlana A; Jones, Malcolm K

    2016-06-01

    Some cyclophyllidean cestodes provide protection for their eggs in the external environment by providing them with additional protective layers around the egg membranes. In attempting to examine such adaptations, the microanatomy and fine structure of the uterus of pregravid and gravid proglottids of the cyclophyllidean cestode Orthoskrjabinia junlanae, a parasite of mammals that inhabit a terrestrial but moist environment, were studied. In the initial stages of uterine development, developing embryos locate freely in the lumen of a saccate uterus that later partitions into chambers. Each chamber that forms encloses several embryos. The chambers are surrounded by muscle cells that synthesize extracellular matrix actively. The paruterine organs consist of stacks of flattened long outgrowths of muscular cells, interspersed with small lipid droplets. In the gravid proglottids, the size of paruterine organ increases and consists of flattened basal and small rounded apical parts separated by constrictions. The fine structure of the organ wall remains the same: sparse nuclei and stacks of flattened cytoplasmic outgrowths but internal invaginations or lumen in the paruterine organ are absent. Completely developed eggs remain localized in the uterus. Based on the comparative morpho-functional analysis of uterine and paruterine organs and uterine capsules in cestodes, we conclude that these non-functioning paruterine organ in O. junlanae is an example of an atavism. We postulate that the life cycle of the parasite, which infects mammals living in wet habitats, where threats of desiccation of parasite ova is reduced, has favoured a reversion to a more ancestral form of uterine development.

  15. Relativistic and perturbational calculations of fine structure splittings in F2 and F2

    Science.gov (United States)

    Mark, F.; Marian, C.; Schwarz, W. H. E.

    Dirac-Fock calculations near the SCF limit using the recently developed basis set expansion technique of Mark and Schwarz have been performed on the F2 ground state with particular consideration of the relativistic splitting of the πg and πu orbitals. The magnetic contribution to the Breit interaction has been included by first-order perturbation theory. Fine structure splittings of the ionic states F2+(X 2Πg) and F2+(A 2Πu) have been calculated by first-order perturbation theory within the Breit-Pauli framework at three levels of approximation for the zero-order wavefunction. The results of the Dirac-Breit and the Breit-Pauli approaches are compared with experimental data. The calculated splittings are analysed by partitioning them into physically meaningful contributions. Aided by results of numerical Dirac-Fock calculations on atoms the general conclusion is drawn that ionic reorganization of the wavefunction increases the fine structure splitting at the Breit-Pauli level, whereas it decreases the splitting at the Dirac-Breit level. Using a model of Ishiguro and Kobori the ratios of Πg and Πu spin-orbit splittings of halogen molecular ions X2+ are discussed.

  16. The variation of the fine-structure constant from disformal couplings

    Energy Technology Data Exchange (ETDEWEB)

    De Bruck, Carsten van; Mifsud, Jurgen [Consortium for Fundamental Physics, School of Mathematics and Statistics, University of Sheffield, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Nunes, Nelson J., E-mail: c.vandebruck@sheffield.ac.uk, E-mail: jmifsud1@sheffield.ac.uk, E-mail: njnunes@fc.ul.pt [Instituto de Astrofísica e Ciências do Espaço, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, PT1749-016 Lisboa (Portugal)

    2015-12-01

    We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.

  17. Localization an speciation of Zn in mycorrhized roots by μSXRF and μEXAFS

    Science.gov (United States)

    Sarret, G.; Schroeder, W. H.; Marcus, M. A.; Geoffroy, N.; Manceau, A.

    2003-05-01

    Mycorrhizae are symbiotic associations between soil fungi and plant mots, which enhance mineral nutrition for the plant, and might play an important role in metals acquisition and accumulation. The processes allowing metals mobilizaiion in the soil, absorption by the root and/or the fungus, transfert or bioaccumulation we still poorly understood. However, the properties of mycorrhizal fungi could be used for phytoremediation, a soft technique using plants for the clean-up of metal polluted soils. In this work, mycorrhized roots of tomato plants grown in a Zn-contaminated sail were investigated. The distribution of metals and the speciation of Zn were studied at the micron scale using micro synchrotron-based X-ray fluorescence (μSXRF) and micro X-ray absorption spectroscopy (μEXAFS). Zn associated to the root was Zn malate and/or Zn citrate, and Zn associated to the fungus was Zn phyllosilicate. This study illustrates the great potential of X-ray microbeams for the study of biological samples containing various amounts of metals.

  18. Effect of atomic vibrations in XANES: polarization-dependent damping of the fine structure at the Cu K-edge of (creat)2CuCl4.

    Science.gov (United States)

    Šipr, Ondřej; Vackář, Jiří; Kuzmin, Alexei

    2016-11-01

    Polarization-dependent damping of the fine structure in the Cu K-edge spectrum of creatinium tetrachlorocuprate [(creat) 2 CuCl 4 ] in the X-ray absorption near-edge structure (XANES) region is shown to be due to atomic vibrations. These vibrations can be separated into two groups, depending on whether the respective atoms belong to the same molecular block; individual molecular blocks can be treated as semi-rigid entities while the mutual positions of these blocks are subject to large mean relative displacements. The effect of vibrations can be efficiently included in XANES calculations by using the same formula as for static systems but with a modified free-electron propagator which accounts for fluctuations in interatomic distances.

  19. Fine structure of excitons and electron-hole exchange energy in polymorphic CsPbBr3 single nanocrystals.

    Science.gov (United States)

    Ramade, Julien; Andriambariarijaona, Léon Marcel; Steinmetz, Violette; Goubet, Nicolas; Legrand, Laurent; Barisien, Thierry; Bernardot, Frédérick; Testelin, Christophe; Lhuillier, Emmanuel; Bramati, Alberto; Chamarro, Maria

    2018-04-05

    All inorganic CsPbX3 (X = Cl, Br, I) nanocrystals (NCs) belong to the novel class of confined metal-halide perovskites which are currently arousing enthusiasm and stimulating huge activity across several fields of optoelectronics due to outstanding properties. A deep knowledge of the band-edge excitonic properties of these materials is thus crucial to further optimize their performances. Here, high-resolution photoluminescence (PL) spectroscopy of single bromide-based NCs reveals the exciton fine structure in the form of sharp peaks that are linearly polarized and grouped in doublets or triplets, which directly mirror the adopted crystalline structure, tetragonal (D4h symmetry) or orthorhombic (D2h symmetry). Intelligible equations are found that show how the fundamental parameters (spin-orbit coupling, ΔSO, crystal field term, T, and electron-hole exchange energy, J) rule the energy spacings in doublets and triplets. From experimental data, fine estimations of each parameter are obtained. The analysis of the absorption spectra of an ensemble of NCs with a "quasi-bulk" behavior leads to ΔSO = 1.20 ± 0.06 eV and T = -0.34 ± 0.05 eV in CsPbBr3. The study of individual luminescence responses of NCs having sizes comparable to the exciton Bohr diameter, 7 nm, allows us to estimate the value of J to be around ≈3 meV in both tetragonal and orthorhombic phases. This value is already enhanced by confinement.

  20. Retention of Nickel in Soils: Sorption-Desorption and Extended X-ray Absorption Fine Structure Experiments

    Science.gov (United States)

    Adsorption and desorption of heavy metals in soils are primary factors that influence their bioavailability and mobility in the soil profile. To examine the characteristics of nickel (Ni) adsorption-desorption in soils, kinetic batch experiments were carried out followed by Ni re...

  1. Hemicellulose fine structure is affected differently during ripening of tomato lines with contrasted texture.

    Science.gov (United States)

    Lahaye, Marc; Quemener, Bernard; Causse, Mathilde; Seymour, Graham B

    2012-11-01

    The impact of genetic and fruit ripening on hemicelluloses fine structure was studied in twelve near isogenic lines of tomato fruits harboring firmness QTL. The sugar composition and the MALDI-TOF MS oligosaccharides profile after glucanase hydrolysis of the cell walls were determined from all green and red fruits pericarp tissue. MS profiles showed two major series of oligomers attributed to xyloglucan (XG) and glucomannan (GM) with minor peaks for xylan and ions attributed to galacto-oligomers. The oligosaccharides MS intensity varied significantly with the fruit genetic and ripening status. Correlations between MS intensity indicated structural regulations of both XG and GM structures with genetics and ripening. These results point to a region on the tomato chromosome 9 controlling cell wall galactose metabolism. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. The effect of ultraviolet irradiation on fine structure of chicken thrombocytes

    International Nuclear Information System (INIS)

    Tanyolac, A.; Bolukbasi, F.

    1978-01-01

    In this study, the effect of ultraviolet light on fine structure of thrombocytes in irradiated-chickens (Golden comet) was investigated. Perinuclear space and surface connecting system (scs) were dilated. Mitochondria and ribosomes were slightly increased in number. The agranular endoplasmic reticulum was spread out, forming cisterna in some areas. The well-developed Golgi complex showed enlargements in its all parts. An abundant amount of secundary lysosomes were formed. The vacuoles were also enlarged and increased in number. There seemed various electron-dense granules and lamellar structures in the vacuoles, and different-sized dense bodies in the cytoplasm. The glycogen particles which were normally in small amount, were locally increased in number, with irradiation. All findings were more pronounced after the second irradiation

  3. The Low Pitch of High-Frequency Complex Tones Relies on Temporal Fine Structure Information

    DEFF Research Database (Denmark)

    Santurette, Sébastien; Dau, Torsten

    2010-01-01

    High-frequency complex tones containing only unresolved harmonic components with a frequency spacing Δf usually evoke a low pitch equal to Δf. However, for inharmonic components, the low pitch is often found to deviate slightly from Δf. Whether this pitch shift relies exclusively on temporal fine...... structure (TFS) cues has been a matter of debate. It is also controversial up to which frequency TFS information remains available, and to what extent envelope cues become dominant as frequency increases. Using a pitch-matching paradigm, this study investigated whether the pitch of transposed tones...... with unresolved inharmonic components is determined by (A) the time intervals between the most prominent TFS peaks in their waveform (multimodal distribution of matches around subharmonics of the carrier frequency fc), (B) the timing between peaks in their envelope (unimodal distribution of matches around...

  4. Fisher matrix forecasts for astrophysical tests of the stability of the fine-structure constant

    Directory of Open Access Journals (Sweden)

    C.S. Alves

    2017-07-01

    Full Text Available We use Fisher Matrix analysis techniques to forecast the cosmological impact of astrophysical tests of the stability of the fine-structure constant to be carried out by the forthcoming ESPRESSO spectrograph at the VLT (due for commissioning in late 2017, as well by the planned high-resolution spectrograph (currently in Phase A for the European Extremely Large Telescope. Assuming a fiducial model without α variations, we show that ESPRESSO can improve current bounds on the Eötvös parameter—which quantifies Weak Equivalence Principle violations—by up to two orders of magnitude, leading to stronger bounds than those expected from the ongoing tests with the MICROSCOPE satellite, while constraints from the E-ELT should be competitive with those of the proposed STEP satellite. Should an α variation be detected, these measurements will further constrain cosmological parameters, being particularly sensitive to the dynamics of dark energy.

  5. Bloch oscillations of ultracold atoms and measurement of the fine structure constant

    International Nuclear Information System (INIS)

    Clade, P.

    2005-10-01

    From a measurement of the recoil velocity of an atom absorbing a photon, it is possible to deduce a determination of the ratio h/m between the Planck constant and the mass of the atoms and then to deduce a value of the fine structure constant alpha. To do this measurement, we use the technique of Bloch oscillations, which allows us to transfer a large number of recoils to atoms. A velocity sensor, based on velocity selective Raman transition, enables us to measure the momentum transferred to the atoms. A measurement with a statistical uncertainty of 4.4 10 -9 , in conjunction with a careful study of systematic effects (5 10 -9 ), has led us to a determination of alpha with an uncertainty of 6.7 10 -9 : α -1 (Rb) = 137.03599878 (91). This uncertainty is similar to the uncertainty of the best determinations of alpha based on atom interferometry. (author)

  6. Confocal imaging reveals three-dimensional fine structure difference between ventral and dorsal nerve roots

    Science.gov (United States)

    Wu, Yuxiang; Sui, Tao; Cao, Xiaojian; Lv, Xiaohua; Zeng, Shaoqun; Sun, Peng

    2011-05-01

    Peripheral nerve injury repair is one of the most challenging problems in neurosurgery, partially due to lack of knowledge of three-dimensional (3-D) fine structure and organization of peripheral nerves. In this paper, we explored the structures of nerve fibers in ventral and dorsal nerves with a laser scanning confocal microscopy. Thick tissue staining results suggested that nerve fibers have a different 3-D structure in ventral and dorsal nerves, and reconstruction from serial sectioning images showed that in ventral nerves the nerve fibers travel in a winding form, while in dorsal nerves, the nerve fibers form in a parallel cable pattern. These structural differences could help surgeons to differentiate ventral and dorsal nerves in peripheral nerve injury repair, and also facilitate scientists to get a deeper understanding about nerve fiber organization.

  7. Sample-angle feedback for diffraction anomalous fine-structure spectroscopy

    International Nuclear Information System (INIS)

    Cross, J.O.; Elam, W.T.; Harris, V.G.; Kirkland, J.P.; Bouldin, C.E.; Sorensen, L.B.

    1998-01-01

    Diffraction anomalous fine-structure (DAFS) experiments measure Bragg peak intensities as continuous functions of photon energy near a core-level excitation. Measuring the integrated intensity at each energy makes the experiments prohibitively slow; however, in many cases DAFS can be collected quickly by measuring only the peak intensity at the center of the rocking curve. A piezoelectric-actuator-driven stage has been designed and tested as part of a sample-angle feedback circuit for locking onto the maximum of the rocking curve while the energy is scanned. Although software peak-tracking requires only a simple calculation of diffractometer angles, it is found that the additional hardware feedback dramatically improves the reproducibility of the data

  8. Grazing incidence diffraction anomalous fine structure of self-assembled semiconductor nanostructures

    International Nuclear Information System (INIS)

    Grenier, S.; Letoublon, A.; Proietti, M.G.; Renevier, H.; Gonzalez, L.; Garcia, J.M.; Priester, C.; Garcia, J.

    2003-01-01

    We have studied self-organized quantum wires of InAs, grown by molecular beam epitaxy onto a InP(0 0 1) substrate, by means of grazing incidence diffraction anomalous fine structure (DAFS). The equivalent quantum wires thickness is 2.5 monolayers. We measured the (4 4 0) and (4 2 0) GIDAFS spectra, at the As K-edge, keeping the incidence and exit angles close to the InP critical angle. The analysis of both the smooth and oscillatory contributions of the DAFS spectrum, provide valuable information about composition and strain inside the quantum wires and close to the interface. We also show preliminary results on InAs wires encapsulated by a 40 A thick InP capping layer, suggesting the DAFS capability of probing different iso-strain regions of the wires

  9. Fine-structural changes in the midgut of old Drosophila melanogaster

    Science.gov (United States)

    Anton-Erxleben, F.; Miquel, J.; Philpott, D. E.

    1983-01-01

    Senescent fine-structural changes in the midgut of Drosophila melanogaster are investigated. A large number of midgut mitochondria in old flies exhibit nodular cristae and a tubular system located perpendicular to the normal cristae orientation. Anterior intestinal cells show a senescent accumulation of age pigment, either with a surrounding two-unit membrane or without any membrane. The predominant localization of enlarged mitochondria and pigment in the luminal gut region may be related to the polarized metabolism of the intestinal cells. Findings concur with previous observations of dense-body accumulations and support the theory that mitochondria are involved in the aging of fixed post-mitotic cells. Demonstrated by statistical analyses is that mitochondrial size increase is related to mitochondrial variation increase.

  10. Fine-structure energy levels and radiative lifetime in Mo XIV

    International Nuclear Information System (INIS)

    Wang Xiaodong; Pei Dong; Jiang Renbin; Wang Wanjue

    2002-01-01

    Energy levels, radiative lifetime and various transition parameters for allowed transitions among the 1508 fine-structure levels belong to the (1s 2 2s 2 2p 6 3s 2 3p 6 ) 3d 10 4l, 3d 9 4l 2 , 3d 10 5l, 3d 9 4l4m, 3d 10 6l, 3d 10 7l and so on configurations of the Cu-like ions Mo XIV have been calculated by using the expanded fully relativistic GRASP code. The results are compared with those available in the literature, and the accuracy of the present data is assessed. Energy levels are expected to be accurate to within 0.81%. The authors have found some long lifetime levels

  11. Polarizability of Kr6+ from high-L Kr5+ fine-structure measurements

    International Nuclear Information System (INIS)

    Lundeen, S. R.; Fehrenbach, C. W.

    2007-01-01

    The transition between n=55 and n=109 Rydberg levels of Kr 5+ has been studied at high resolution using the resonant excitation stark ionization spectroscopy method. Resolved excitation of L=6, 7, 8, and 9 levels in n=55 lead to a determination of the fine-structure energies of these levels. Interpreted with the long-range polarization model, this leads to a measurement of the dipole polarizabilities of Zn-like Kr 6+ , α d =2.69(4)a 0 3 . Obtaining a value of the quadrupole polarizability from the data will require additional theoretical input. Factors contributing to the signal and noise levels in measurements of this type are discussed

  12. Fine structure of Tibetan kefir grains and their yeast distribution, diversity, and shift.

    Directory of Open Access Journals (Sweden)

    Man Lu

    Full Text Available Tibetan kefir grains (TKGs, a kind of natural starter for fermented milk in Tibet, China, host various microorganisms of lactic acid bacteria, yeasts, and occasionally acetic acid bacteria in a polysaccharide/protein matrix. In the present study, the fine structure of TKGs was studied to shed light on this unusual symbiosis with stereomicroscopy and thin sections. The results reveal that TKGs consist of numerous small grain units, which are characterized by a hollow globular structure with a diameter between 2.0 and 9.0 mm and a wall thickness of approximately 200 µm. A polyhedron-like net structure, formed mainly by the bacteria, was observed in the wall of the grain units, which has not been reported previously to our knowledge. Towards the inside of the grain unit, the polyhedron-like net structures became gradually larger in diameter and fewer in number. Such fine structures may play a crucial role in the stability of the grains. Subsequently, the distribution, diversity, and shift of yeasts in TKGs were investigated based on thin section, scanning electron microscopy, cloning and sequencing of D1/D2 of the 26S rRNA gene, real-time quantitative PCR, and in situ hybridization with specific fluorescence-labeled oligonucleotide probes. These show that (i yeasts appear to localize on the outer surface of the grains and grow normally together to form colonies embedded in the bacterial community; (ii the diversity of yeasts is relatively low on genus level with three dominant species--Saccharomyces cerevisiae, Kluyveromyces marxianus, and Yarrowia lipolytica; (iii S. cerevisiae is the stable predominant yeast species, while the composition of Kluyveromyces and Yarrowia are subject to change over time. Our results indicate that TKGs are relatively stable in structure, and culture conditions to some extent shape the microbial community and interaction in kefir grains. These findings pave the way for further study of the specific symbiotic

  13. Fine Structure of Tibetan Kefir Grains and Their Yeast Distribution, Diversity, and Shift

    Science.gov (United States)

    Lu, Man; Wang, Xingxing; Sun, Guowei; Qin, Bing; Xiao, Jinzhou; Yan, Shuling; Pan, Yingjie; Wang, Yongjie

    2014-01-01

    Tibetan kefir grains (TKGs), a kind of natural starter for fermented milk in Tibet, China, host various microorganisms of lactic acid bacteria, yeasts, and occasionally acetic acid bacteria in a polysaccharide/protein matrix. In the present study, the fine structure of TKGs was studied to shed light on this unusual symbiosis with stereomicroscopy and thin sections. The results reveal that TKGs consist of numerous small grain units, which are characterized by a hollow globular structure with a diameter between 2.0 and 9.0 mm and a wall thickness of approximately 200 µm. A polyhedron-like net structure, formed mainly by the bacteria, was observed in the wall of the grain units, which has not been reported previously to our knowledge. Towards the inside of the grain unit, the polyhedron-like net structures became gradually larger in diameter and fewer in number. Such fine structures may play a crucial role in the stability of the grains. Subsequently, the distribution, diversity, and shift of yeasts in TKGs were investigated based on thin section, scanning electron microscopy, cloning and sequencing of D1/D2 of the 26S rRNA gene, real-time quantitative PCR, and in situ hybridization with specific fluorescence-labeled oligonucleotide probes. These show that (i) yeasts appear to localize on the outer surface of the grains and grow normally together to form colonies embedded in the bacterial community; (ii) the diversity of yeasts is relatively low on genus level with three dominant species – Saccharomyces cerevisiae, Kluyveromyces marxianus, and Yarrowia lipolytica; (iii) S. cerevisiae is the stable predominant yeast species, while the composition of Kluyveromyces and Yarrowia are subject to change over time. Our results indicate that TKGs are relatively stable in structure, and culture conditions to some extent shape the microbial community and interaction in kefir grains. These findings pave the way for further study of the specific symbiotic associations between S

  14. Speech and music perception with the new fine structure speech coding strategy: preliminary results.

    Science.gov (United States)

    Arnoldner, Christoph; Riss, Dominik; Brunner, Markus; Durisin, Martin; Baumgartner, Wolf-Dieter; Hamzavi, Jafar-Sasan

    2007-12-01

    Taking into account the excellent results with significant improvements in the speech tests and the very high satisfaction of the patients using the new strategy, this first implementation of a fine structure strategy could offer a new quality of hearing with cochlear implants (CIs). This study consisted of an intra-individual comparison of speech recognition, music perception and patient preference when subjects used two different speech coding strategies with a MedEl Pulsar CI: continuous interleaved sampling (CIS) and the new fine structure processing (FSP) strategy. In contrast to envelope-based strategies, the FSP strategy also delivers subtle pitch and timing differences of sound to the user and is thereby supposed to enhance speech perception in noise and increase the quality of music perception. This was a prospective study assessing performance with two different speech coding strategies. The setting was a CI programme at an academic tertiary referral centre. Fourteen post-lingually deaf patients using a MedEl Pulsar CI with a mean CI experience of 0.98 years were supplied with the new FSP speech coding strategy. Subjects consecutively used the two different speech coding strategies. Speech and music tests were performed with the previously fitted CIS strategy, immediately after fitting with the new FSP strategy and 4, 8 and 12 weeks later. The main outcome measures were individual performance and subjective assessment of two different speech processors. Speech and music test scores improved statistically significantly after conversion from CIS to FSP strategy. Twelve of 14 patients preferred the new FSP speech processing strategy over the CIS strategy.

  15. New algorithm improves fine structure of the barley consensus SNP map

    Directory of Open Access Journals (Sweden)

    Endelman Jeffrey B

    2011-08-01

    Full Text Available Abstract Background The need to integrate information from multiple linkage maps is a long-standing problem in genetics. One way to visualize the complex ordinal relationships is with a directed graph, where each vertex in the graph is a bin of markers. When there are no ordering conflicts between the linkage maps, the result is a directed acyclic graph, or DAG, which can then be linearized to produce a consensus map. Results New algorithms for the simplification and linearization of consensus graphs have been implemented as a package for the R computing environment called DAGGER. The simplified consensus graphs produced by DAGGER exactly capture the ordinal relationships present in a series of linkage maps. Using either linear or quadratic programming, DAGGER generates a consensus map with minimum error relative to the linkage maps while remaining ordinally consistent with them. Both linearization methods produce consensus maps that are compressed relative to the mean of the linkage maps. After rescaling, however, the consensus maps had higher accuracy (and higher marker density than the individual linkage maps in genetic simulations. When applied to four barley linkage maps genotyped at nearly 3000 SNP markers, DAGGER produced a consensus map with improved fine structure compared to the existing barley consensus SNP map. The root-mean-squared error between the linkage maps and the DAGGER map was 0.82 cM per marker interval compared to 2.28 cM for the existing consensus map. Examination of the barley hardness locus at the 5HS telomere, for which there is a physical map, confirmed that the DAGGER output was more accurate for fine structure analysis. Conclusions The R package DAGGER is an effective, freely available resource for integrating the information from a set of consistent linkage maps.

  16. Local structure of Ge quantum dots determined by combined numerical analysis of EXAFS and XANES data.

    Science.gov (United States)

    Zhang, Yuanpeng; Ersoy, Osman; Karatutlu, Ali; Little, William; Sapelkin, Andrei

    2016-01-01

    The sensitivity of X-ray absorption near-edge structure (XANES) to the local symmetry has been investigated in small (∼4 nm) matrix-free Ge quantum dots. The FDMNES package was used to calculate the theoretical XANES spectra that were compared with the experimental data of as-prepared and annealed nanoparticles. It was found that XANES data for an as-prepared sample can only be adequately described if the second coordination shell of the diamond-type structural model is included in the FDMNES calculations. This is in contrast to the extended X-ray absorption fine-structure data that show only the first-shell signal. These results suggest that, despite the high degree of disorder and a large surface-to-volume ratio, as-prepared small Ge quantum dots retain the diamond-type symmetry beyond the first shell. Furthermore, we utilized this sensitivity of XANES to the local symmetry to study annealed Ge quantum dots and found evidence for significant structural distortion which we attribute to the existence of surface disorder in the annealed oxygen-free Ge quantum dots.

  17. Low-temperature anomalies of EXAFS at the K-edge of As in superconducting LaFe0.89Co0.11AsO

    Science.gov (United States)

    Bianconi, A.; Menushenkov, A. P.; Ivanov, V. G.; Ivanov, A. A.; Joseph, B.

    2017-12-01

    The temperature dependence of the EXAFS-spectra measured above the K absorption edge of As in superconducting (T c = 13.5 K) single crystals of LaFe0.89Co0.11AsO were investigated. Analysis of the spectra in the harmonic approximation revealed anomalies in the temperature dependence of the Debye-Waller factor for As-Fe interatomic bond which correlated with the temperature dependence of electrical resistivity, the coefficient of thermal expansion and magnetic susceptibility given in literature. Taking into account that similar anomalies were earlier observed in superconducting oxides based on BaBiO3 and in cuprates we conducted the EXAFS spectra analysis in the anharmonic approximation using the potential of arbitrary shape for As-Fe bond vibrations. It was shown that the double-well approximation describes the temperature dependence of the EXAFS spectra better than the harmonic one. The temperature dependence of tunneling frequency and a distance between the wells for double-well potential were obtained. The results indicate that local structural dynamic heterogeneities have a strong impact on macroscopic properties of iron-based superconductors.

  18. Effect of diurnal photosynthetic activity on the fine structure of amylopectin from normal and waxy barley starch

    DEFF Research Database (Denmark)

    Goldstein, Avi; Annor, George; Blennow, Andreas

    2017-01-01

    The impact of diurnal photosynthetic activity on the fine structure of the amylopectin fraction of starch synthesized by normal barley (NBS) and waxy barley (WBS), the latter completely devoid of amylose biosynthesis, was determined following the cultivation under normal diurnal or constant light...... growing conditions. The amylopectin fine structures were analysed by characterizing its unit chain length profiles after enzymatic debranching as well as its φ,β-limit dextrins and its clusters and building blocks after their partial and complete hydrolysis with α-amylase from Bacillus amyloliquefaciens...... under constant light. Our data demonstrate that the diurnal light regime influences the fine structure of the amylopectin component both in amylose and non-amylose starch granules....

  19. Atlas of fine structures of dynamic spectra of solar type IV-dm and some type II radio bursts

    International Nuclear Information System (INIS)

    Slottje, C.

    1982-01-01

    The author presents an atlas of spectral fine structures of solar radio bursts of types IV and II around 1 m wavelength, as obtained with a multichannel spectrograph at Dwingeloo. The structures form largely a collection of observations of these events during late 1968 through 1974, thus covering almost entirely the declining branch of solar cycle 20. The spectrograph has an extra enhanced contrast output with properties quite different from those of the commonly used swept frequency spectrographs. The corresponding instrumental characteristics and effects are discussed. A classification of fine structures and an analysis of their statistical properties and of those of the pertinent radio events are also given. (Auth.)

  20. Fine structure of the stimulated Raman spectrum in compressed hydrogen. The relaxation-oscillation mode of backscattered Stokes emission

    International Nuclear Information System (INIS)

    Bespalov, V.G.; Efimov, Yu.N.; Staselko, D.I.

    1992-01-01

    This paper studies the emission spectra of backscattered stimulated Raman scattering (SRS) in compressed hydrogen in the relaxation-oscillation mode and the compression SRS mode for the minimum width of the spontaneous scattering spectrum (in the region of the Dicke dip). It is shown that the generation of a train of Stokes-emission subpulses results in the appearance of fine structure in the backscattered SRS spectrum. The influence of the temporal structure of reflected Stokes pulses on this spectrum and on the appearance of fine structure in it is analyzed. The conditions for generating spectrally limited (without phase modulation), extremely coherent Stokes pulses are explained. 18 refs., 3 figs

  1. Quick EXAFS experiments using a now GDA eclipse RCP GUI with EPICS hardware control

    International Nuclear Information System (INIS)

    Woolliscroft, R.J.; Coles, C.; Gerring, M.; Pearson, M.

    2012-01-01

    The Generic Data Acquisition (GDA) framework is an open source, Java and Eclipse RCP based, data acquisition software framework for synchrotron and neutron facilities. A new implementation of the GDA on the B18 X-ray beamline at the Diamond synchrotron will be discussed. This beamline performs energy scanning Xray Absorption Spectroscopy (XAS) experiments. It includes a continuous-scan mode of the monochromator synchronized with various detectors for Quick EXAFS (QEXAFS) experiments. XAS energy scans may now be performed in 30 s, where the equivalent step scans take approximately 40 minutes. A new generic perspective for the GDA client has been developed in which graphical editors are used to write XML files which hold experimental parameters. The XML files are marshalled by the GDA server to create Java beans used by Jython scripts which run on the GDA server. Underlying this, a new generic continuous scanning mechanism for the GDA has been developed. The new Eclipse RCP UI, the new continuous scanning mechanism, new hardware development and integration between the two systems shall be covered. (authors)

  2. An EXAFS and XANES study of MBE grown Cu-doped ZnO

    CERN Document Server

    Fons, P; Iwata, K; Matsubara, K; Niki, S; Nakahara, K; Takasu, H

    2003-01-01

    The wide bandgap semiconductor, ZnO, is intrinsically n-type and one of the remaining hurdles to be overcome before it can be used for optoelectronic applications is achieving p-type doping. A potential candidate for a p-type dopant is Cu. Towards this end, X-ray near-edge absorption (XANES) has been used to determine changes in valency of Cu in molecular beam epitaxial grown ZnO as a function of growth parameters. Growth parameters varied include the Cu flux which was varied over roughly three orders of magnitude T sub C sub u =800-1000 deg. C and two substrate temperatures: 300 and 600 deg. C. XANES measurements confirmed that Cu was in the +1 valence state for all as-grown samples. Preliminary EXAFS measurements also demonstrated that Cu incorporated into a Zn-atom position substitutionally. X-ray diffraction also indicated significant phase separation with the presence of both metallic Cu and CuO indicated for Cu concentrations >3x10 sup 2 sup 1 cm sup - sup 3.

  3. Mechanisms of mercury removal by biochars produced from different feedstocks determined using X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Peng [Department of Earth and Environmental Sciences, University of Waterloo, 200 University Ave. W., Waterloo, ON N2L 3G1 (Canada); Ptacek, Carol J., E-mail: ptacek@uwaterloo.ca [Department of Earth and Environmental Sciences, University of Waterloo, 200 University Ave. W., Waterloo, ON N2L 3G1 (Canada); Blowes, David W. [Department of Earth and Environmental Sciences, University of Waterloo, 200 University Ave. W., Waterloo, ON N2L 3G1 (Canada); Landis, Richard C. [E I. du Pont de Nemours and Company, 974 Centre Road, Wilmington, DE 19805 (United States)

    2016-05-05

    Highlights: • Dissolved Hg decreases by >90% with high-T biochars (600 and 700 °C). • Elevated SO{sub 4}{sup 2−} (up to 1000 mg L{sup −1}) is released from manure-derived biochar. • XRF results indicate Hg is distributed heterogeneously throughout biochar particles. • S XANES indicates presence of reduced and oxidized S species in biochar. • Hg EXAFS indicate Hg is bound to S atoms in biochar particle when S content is high. - Abstract: Thirty-six biochars produced from distinct feedstocks at different temperatures were evaluated for their potential to remove mercury (Hg) from aqueous solution at environmentally relevant concentrations. Concentrations of total Hg (THg) decreased by >90% in batch systems containing biochars produced at 600 and 700 °C and by 40–90% for biochars produced at 300 °C. Elevated concentrations of SO{sub 4}{sup 2−} (up to 1000 mg L{sup −1}) were observed in solutions mixed with manure-based biochars. Sulfur X-ray absorption near edge structure (XANES) analyses indicate the presence of both reduced and oxidized S species in both unwashed and washed biochars. Sulfur XANES spectra obtained from biochars with adsorbed Hg were similar to those of washed biochars. Micro-X-ray fluorescence mapping results indicate that Hg was heterogeneously distributed across biochar particles. Extended X-ray absorption fine structure modeling indicates Hg was bound to S in biochars with high S content and to O and Cl in biochars with low S content. The predominant mechanisms of Hg removal are likely the formation of chemical bonds between Hg and various functional groups on the biochar. This investigation provides information on the effectiveness and mechanisms of Hg removal that is critical for evaluating biochar applications for stabilization of Hg in surface water, groundwater, soils, and sediments.

  4. Mechanisms of mercury removal by biochars produced from different feedstocks determined using X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Liu, Peng; Ptacek, Carol J.; Blowes, David W.; Landis, Richard C.

    2016-01-01

    Highlights: • Dissolved Hg decreases by >90% with high-T biochars (600 and 700 °C). • Elevated SO 4 2− (up to 1000 mg L −1 ) is released from manure-derived biochar. • XRF results indicate Hg is distributed heterogeneously throughout biochar particles. • S XANES indicates presence of reduced and oxidized S species in biochar. • Hg EXAFS indicate Hg is bound to S atoms in biochar particle when S content is high. - Abstract: Thirty-six biochars produced from distinct feedstocks at different temperatures were evaluated for their potential to remove mercury (Hg) from aqueous solution at environmentally relevant concentrations. Concentrations of total Hg (THg) decreased by >90% in batch systems containing biochars produced at 600 and 700 °C and by 40–90% for biochars produced at 300 °C. Elevated concentrations of SO 4 2− (up to 1000 mg L −1 ) were observed in solutions mixed with manure-based biochars. Sulfur X-ray absorption near edge structure (XANES) analyses indicate the presence of both reduced and oxidized S species in both unwashed and washed biochars. Sulfur XANES spectra obtained from biochars with adsorbed Hg were similar to those of washed biochars. Micro-X-ray fluorescence mapping results indicate that Hg was heterogeneously distributed across biochar particles. Extended X-ray absorption fine structure modeling indicates Hg was bound to S in biochars with high S content and to O and Cl in biochars with low S content. The predominant mechanisms of Hg removal are likely the formation of chemical bonds between Hg and various functional groups on the biochar. This investigation provides information on the effectiveness and mechanisms of Hg removal that is critical for evaluating biochar applications for stabilization of Hg in surface water, groundwater, soils, and sediments.

  5. Fine structure of the isoscalar giant quadrupole resonance from high-resolution inelastic proton scattering experiments

    International Nuclear Information System (INIS)

    Shevchenko, A.

    2005-02-01

    In the present work the phenomenon of fine structure in the region of the isoscalar giant quadrupole resonance in a number of heavy and medium-heavy nuclei is systematically investigated for the first time. High energy-resolution inelastic proton scattering experiments were carried out in September-October 2001 and in October 2003 at the iThemba LABS cyclotron facility in South Africa with an incident proton energy of 200 MeV. The obtained data with the energy resolution of triangle E 58 Ni, 89 Y, 90 Zr, 120 Sn, 142 Nd, 166 Er, 208 Pb), thereby establishing the global character of this phenomenon. Fine structure can be described using characteristic energy scales, appearing as a result of the decay of collective modes towards the compound nucleus through a hierarchy of couplings to complex degrees of freedom. For the extraction of the characteristic energy scales from the spectra an entropy index method and a novel technique based on the wavelet analysis are utilized. The global analysis of available data shows the presence of three groups of scales, according to their values. To the first group belong the scales with the values around and below 100 keV, which were detected in all the nuclei studied. The second group contains intermediate scales in the range of 100 keV to 1 MeV. These scales show large variations depending on the nuclear structure of the nucleus. The largest scales above 1 MeV are classified to the third group, describing the global structure of the resonance (the width). The interpretation of the observed scales is realized via the comparison with microscopic model calculations including the coupling of the initial one-particle-one-hole excitations to more complex configurations. A qualitative agreement of the experimentally observed scales with those obtained from the theoretical predictions supports the suggestion of the origin of fine structure from the coupling to the two-particle-two-hole states. However, quantitatively, large deviations are

  6. Evidence for the distortion product frequency place as a source of distribution product otoacoustic emission (DPOAE) fine structure in humans : I. Fine structure and higher-order DPOAE as a function of the frequency ratio f2/f1

    NARCIS (Netherlands)

    Mauermann, M; Uppenkamp, S; van Hengel, P.W.J.; Kollmeier, B

    1999-01-01

    Critical experiments were performed in order to validate the two-source hypothesis of distortion product otoacoustic emissions (DPOAE) generation. Measurements of the spectral fine structure of DPOAE in response to stimulation with two sinusoids have been:performed with normal-hearing subjects. The

  7. EXAFS analysis of a human Cu,Zn SOD isoform focused using non-denaturing gel electrophoresis

    International Nuclear Information System (INIS)

    Chevreux, Sylviane; Roudeau, Stephane; Deves, Guillaume; Ortega, Richard; Solari, Pier Lorenzo; Alliot, Isabelle; Testemale, Denis; Hazemann, Jean Louis

    2009-01-01

    Isoelectric point isoforms of a metalloprotein, copper-zinc superoxide dismutase (CuZnSOD), separated on electrophoresis gels were analyzed using X-ray Absorption Spectroscopy. Mutations of this protein are involved in familial cases of amyotrophic lateral sclerosis. The toxicity of mutants could be relied to defects in the metallation state. Our purpose is to establish analytical protocols to study metallation state of protein isoforms such as those from CuZnSOD. We previously highlighted differences in the copper oxidation state between CuZnSOD isoforms using XANES. Here, we present the first results for EXAFS analyses performed at Cu and Zn K-edge on the majoritary expressed isoform of human CuZnSOD separated on electrophoresis gels.

  8. Changes in the Fine Structure of Stochastic Distributions as a Consequence of Space-Time Fluctuations

    Directory of Open Access Journals (Sweden)

    Shnoll S. E.

    2006-04-01

    Full Text Available This is a survey of the fine structure stochastic distributions in measurements obtained by me over 50 years. It is shown: (1 The forms of the histograms obtained at each geographic point (at each given moment of time are similar with high probability, even if we register phenomena of completely different nature --- from biochemical reactions to the noise in a gravitational antenna, or alpha-decay. (2 The forms of the histograms change with time. The iterations of the same form have the periods of the stellar day (1.436 min, the solar day (1.440 min, the calendar year (365 solar days, and the sidereal year (365 solar days plus 6 hours and 9 min. (3 At the same instants of the local time, at different geographic points, the forms of the histograms are the same, with high probability. (4 The forms of the histograms depend on the locations of the Moon and the Sun with respect to the horizon. (5 All the facts are proof of the dependance of the form of the histograms on the location of the measured objects with respect to stars, the Sun, and the Moon. (6 At the instants of New Moon and the maxima of solar eclipses there are specific forms of the histograms. (7 It is probable that the observed correlations are not connected to flow power changes (the changes of the gravity force --- we did not find the appropriate periods in changes in histogram form. (8 A sharp anisotropy of space was discovered, registered by alpha-decay detectors armed with collimators. Observations at 54 North (the collimator was pointed at the Pole Star showed no day-long periods, as was also the case for observations at 82 North, near the Pole. Histograms obtained by observations with an Easterly-directed collimator were determined every 718 minutes (half stellar day and with observations using a Westerly-directed collimator. (9 Collimators rotating counter-clockwise, in parallel with the celestial equator, gave the probability of changes in histograms as the number of the

  9. Changes in the Fine Structure of Stochastic Distributions as a Consequence of Space-Time Fluctuations

    Directory of Open Access Journals (Sweden)

    Shnoll S. E.

    2006-04-01

    Full Text Available This is a survey of the fine structure stochastic distributions in measurements obtained by me over 50 years. It is shown: (1 The forms of the histograms obtained at each geographic point (at each given moment of time are similar with high probability, even if we register phenomena of completely different nature — from biochemical reactions to the noise in a gravitational antenna, or α-decay. (2 The forms of the histograms change with time. The iterations of the same form have the periods of the stellar day (1.436 min, the solar day (1.440 min, the calendar year (365 solar days, and the sidereal year (365 solar days plus 6 hours and 9 min. (3 At the same instants of the local time, at different geographic points, the forms of the histograms are the same, with high probability. (4 The forms of the histograms depend on the locations of the Moon and the Sun with respect to the horizon. (5 All the facts are proof of the dependance of the form of the histograms on the location of the measured objects with respect to stars, the Sun, and the Moon. (6 At the instants of New Moon and the maxima of solar eclipses there are specific forms of the histograms. (7 It is probable that the observed correlations are not connected to flow power changes (the changes of the gravity force — we did not find the appropriate periods in changes in histogram form. (8 A sharp anisotropy of space was discovered, registered by α-decay detectors armed with collimators. Observations at 54◦ North (the collimator was pointed at the Pole Star showed no day-long periods, as was also the case for observations at 82◦ North, near the Pole. Histograms obtained by observations with an Easterly-directed collimator were determined every 718 minutes (half stellar day and with observations using a Westerly-directed collimator. (9 Collimators rotating counter-clockwise, in parallel with the celestial equator, gave the probability of changes in histograms as the number of the

  10. Fine structure of the mineralized teeth of the chiton Acanthopleura echinata (Mollusca: Polyplacophora).

    Science.gov (United States)

    Wealthall, Rosamund J; Brooker, Lesley R; Macey, David J; Griffin, Brendan J

    2005-08-01

    The major lateral teeth of the chiton Acanthopleura echinata are composite structures composed of three distinct mineral zones: a posterior layer of magnetite; a thin band of lepidocrocite just anterior to this; and apatite throughout the core and anterior regions of the cusp. Biomineralization in these teeth is a matrix-mediated process, in which the minerals are deposited around fibers, with the different biominerals described as occupying architecturally discrete compartments. In this study, a range of scanning electron microscopes was utilized to undertake a detailed in situ investigation of the fine structure of the major lateral teeth. The arrangement of the organic and biomineral components of the tooth is similar throughout the three zones, having no discrete borders between them, and with crystallites of each mineral phase extending into the adjacent mineral zone. Along the posterior surface of the tooth, the organic fibers are arranged in a series of fine parallel lines, but just within the periphery their appearance takes on a "fish scale"-like pattern, reflective of the cross section of a series of units that are overlaid, and offset from each other, in adjacent rows. The units are approximately 2 microm wide and 0.6 microm thick and comprise biomineral plates separated by organic fibers. Two types of subunits make up each "fish scale": one is elongate and curved and forms a trough, in which the other, rod-like unit, is nestled. Adjacent rod and trough units are aligned into large sheets that define the fracture plane of the tooth. The alignment of the plates of rod-trough units is complex and exhibits extreme spatial variation within the tooth cusp. Close to the posterior surface the plates are essentially horizontal and lie in a lateromedial plane, while anteriorly they are almost vertical and lie in the posteroanterior plane. An understanding of the fine structure of the mineralized teeth of chitons, and of the relationship between the organic and

  11. In situ X-ray absorption spectroscopy of transition metal based water oxidation catalysts

    NARCIS (Netherlands)

    van Oversteeg, Christina H M|info:eu-repo/dai/nl/413490483; Doan, Hoang Q; de Groot, Frank M F|info:eu-repo/dai/nl/08747610X; Cuk, Tanja

    2016-01-01

    X-ray absorption studies of the geometric and electronic structure of primarily heterogeneous Co, Ni, and Mn based water oxidation catalysts are reviewed. The X-ray absorption near edge and extended X-ray absorption fine structure studies of the metal K-edge, characterize the metal oxidation state,

  12. X-ray absorption in atomic potassium

    International Nuclear Information System (INIS)

    Gomilsek, Jana Padeznik; Kodre, Alojz; Arcon, Iztok; Nemanic, Vincenc

    2008-01-01

    A new high-temperature absorption cell for potassium vapor is described. X-ray absorption coefficient of atomic potassium is determined in the energy interval of 600 eV above the K edge where thresholds for simultaneous excitations of 1s and outer electrons, down to [1s2p] excitation, appear. The result represents also the atomic absorption background for XAFS (X-ray absorption fine structure) structure analysis. The K ionization energy in the potassium vapor is determined and compared with theoretical data and with the value for the metal

  13. X-ray absorption spectroscopy of PbMoO 4 single crystals

    Indian Academy of Sciences (India)

    X-ray absorption spectra of PbMoO4 (LMO) crystals have been investigated for the first time in literature. The measurements have been carried out at Mo absorption edge at the dispersive EXAFS beamline (BL-8) of INDUS-2 Synchrotron facility at Indore, India. The optics of the beamline was set to obtain a band of 2000 eV ...

  14. On the effects of the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian

    International Nuclear Information System (INIS)

    Badnell, N.R.

    1997-01-01

    We have incorporated the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian, namely contact spin-spin, two-body Darwin and orbit-orbit, into the program AUTOSTRUCTURE. Illustrative results are presented, including some for reactions involving the process of autoionization. (author)

  15. Stokes shift and fine-structure splitting in CdSe/CdTe invert type-II ...

    Indian Academy of Sciences (India)

    Using the atomistic tight-binding (TB) theory and configuration interaction (CI) description, it is showed that the Stokes shift and fine-structure splitting (FSS) in semiconductor core/shell nanocrystals are predominantly affected by the shell thickness and band profiles. CdSe/CdTe invert type-II and CdTe/CdSe type-II core/shell ...

  16. Preferred Compression Speed for Speech and Music and Its Relationship to Sensitivity to Temporal Fine Structure.

    Science.gov (United States)

    Moore, Brian C J; Sęk, Aleksander

    2016-09-07

    Multichannel amplitude compression is widely used in hearing aids. The preferred compression speed varies across individuals. Moore (2008) suggested that reduced sensitivity to temporal fine structure (TFS) may be associated with preference for slow compression. This idea was tested using a simulated hearing aid. It was also assessed whether preferences for compression speed depend on the type of stimulus: speech or music. Twenty-two hearing-impaired subjects were tested, and the stimulated hearing aid was fitted individually using the CAM2A method. On each trial, a given segment of speech or music was presented twice. One segment was processed with fast compression and the other with slow compression, and the order was balanced across trials. The subject indicated which segment was preferred and by how much. On average, slow compression was preferred over fast compression, more so for music, but there were distinct individual differences, which were highly correlated for speech and music. Sensitivity to TFS was assessed using the difference limen for frequency at 2000 Hz and by two measures of sensitivity to interaural phase at low frequencies. The results for the difference limens for frequency, but not the measures of sensitivity to interaural phase, supported the suggestion that preference for compression speed is affected by sensitivity to TFS. © The Author(s) 2016.

  17. Observation of excitonic fine structure in a 2D transition-metal dichalcogenide semiconductor.

    Science.gov (United States)

    Shang, Jingzhi; Shen, Xiaonan; Cong, Chunxiao; Peimyoo, Namphung; Cao, Bingchen; Eginligil, Mustafa; Yu, Ting

    2015-01-27

    Two-dimensional (2D) semiconductors, such as transition-metal dichalcogenide monolayers (TMD 1Ls), have attracted increasing attention owing to the underlying fundamental physics (e.g., many body effects) and the promising optoelectronic applications such as light-emitting diodes. Though much progress has been made, intrinsic excitonic states of TMD 1Ls are still highly debated in theory, which thirsts for direct experimental determination. Here, we report unconventional emission and excitonic fine structure in 1L WS2 revealed by electrical doping and photoexcitation, which reflects the interplay of exciton, trion, and other excitonic states. Tunable excitonic emission has been realized in a controllable manner via electrical and/or optical injection of charge carriers. Remarkably enough, the superlinear (i.e., quadratic) emission is unambiguously observed which is attributed to biexciton states, indicating the strong Coulomb interactions in such a 2D material. In a nearly neutral 1L WS2, trions and biexcitons possess large binding energies of ∼ 10-15 and 45 meV, respectively. Moreover, our finding of electrically induced robust emission opens up a possibility to boost the luminous efficiency of emerging 1L TMD light emitting diodes.

  18. Fine structure of striations observed in barium plasma injections in the magnetospheric cleft

    International Nuclear Information System (INIS)

    Simons, D.J.; Eastman, T.E.; Pongratz, M.B.

    1976-01-01

    In January and November of 1975, the Los Alamos Scientific Laboratory sponsored four high altitude shaped charge barium plasma injections in the magnetospheric cleft region. These experiments were TORDO UNO (January 6), TORDO DOS (January 11), PERIQUITO UNO (November 25), and PERIQUITO DOS (November 28). All four injections took place near 500 km altitude, and optical data were taken from two aircraft and a ground station. The TORDO DOS and the PERIQUITO experiments showed rapid formation of striations (within one minute after injection), and fast horizontal spreading in contrast with TORDO UNO. In PERIQUITO DOS, the debris cloud spread magnetically east-west with a small net northerly motion. TORDO UNO shows very rapid poleward motion, and the remaining two events resulted in magnetically east-west horizontal spreading, with no noticeable poleward motion. Striations observed in the PERIQUITO DOS experiment separate in opposite directions with relative velocities of up to 3 km/sec. These field-aligned structures appear to form in sheets of approximately constant magnetic latitude. Significant spatial variations occur on a scale of less than 200 meters. Spatial frequency power spectra across these striations have been determined at various times. Observations of the debris cloud and the fast barium streak show strong field-aligned coherency of striation fine structure, indicating a field line mapping of transverse electric fields and gradients

  19. The Potamophylax nigricornis group (Trichoptera, Limnephilidae: resolution of phylogenetic species by fine structure analysis

    Directory of Open Access Journals (Sweden)

    Oláh, J.

    2013-11-01

    Full Text Available Applying the phylogenetic species concept and the sexual selection theory we have reviewed some natal aspects of incipient species and their accelerated evolution. How can we recognise early stages of divergence? Which selection pressures are at work during speciation? Which pathways accelerate the speed of speciation? Which kinds of trait variabilities makes difficult to find initial split criteria? Elaborating the principles of Fine Structure Analysis (FSA and the morphological Initial Split Criteria (ISP it was discovered that the European spring dwelling caddisfly Potamophylax nigricornis doesn’tbelong to a single species. It represents an entire species group with seventeen peripatric species evolving on the southernperipheries of the distributional area. Four new species subgroups have been erected: Potamophylax nigricornis new species subgroup, P. elegantulus new species subgroup, P. horgos new species subgroup, P. simas new species subgroup. Eleven new species have been described: Potamophylax apados sp. nov., P. fules sp. nov., P. fureses sp. nov., P. hasas sp. novov., P. horgos sp. nov., P. kethas sp. nov., P. lemezes sp. nov., P. peremes sp. nov., P. simas sp. nov., P. tuskes sp. nov., P. ureges sp. nov. One Potamophylax sp. nov. has been differentiated and three new species status have been documented:Potamophylax elegantulus (Klapálek stat. n., P. mista (Navás stat. nov., P. testaceus (Zetterstedt stat. nov.

  20. Discovery of Finely Structured Dynamic Solar Corona Observed in the Hi-C Telescope

    Science.gov (United States)

    Winebarger, A.; Cirtain, J.; Golub, L.; DeLuca, E.; Savage, S.; Alexander, C.; Schuler, T.

    2014-01-01

    In the summer of 2012, the High-resolution Coronal Imager (Hi-C) flew aboard a NASA sounding rocket and collected the highest spatial resolution images ever obtained of the solar corona. One of the goals of the Hi-C flight was to characterize the substructure of the solar corona. We therefore examine how the intensity scales from AIA resolution to Hi-C resolution. For each low-resolution pixel, we calculate the standard deviation in the contributing high-resolution pixel intensities and compare that to the expected standard deviation calculated from the noise. If these numbers are approximately equal, the corona can be assumed to be smoothly varying, i.e. have no evidence of substructure in the Hi-C image to within Hi-C's ability to measure it given its throughput and readout noise. A standard deviation much larger than the noise value indicates the presence of substructure. We calculate these values for each low-resolution pixel for each frame of the Hi-C data. On average, 70 percent of the pixels in each Hi-C image show no evidence of substructure. The locations where substructure is prevalent is in the moss regions and in regions of sheared magnetic field. We also find that the level of substructure varies significantly over the roughly 160 s of the Hi-C data analyzed here. This result indicates that the finely structured corona is concentrated in regions of heating and is highly time dependent.

  1. Fine Structure of Glycosaminoglycans from Fresh and Decellularized Porcine Cardiac Valves and Pericardium

    Directory of Open Access Journals (Sweden)

    Antonio Cigliano

    2012-01-01

    Full Text Available Cardiac valves are dynamic structures, exhibiting a highly specialized architecture consisting of cells and extracellular matrix with a relevant proteoglycan and glycosaminoglycan content, collagen and elastic fibers. Biological valve substitutes are obtained from xenogenic cardiac and pericardial tissues. To overcome the limits of such non viable substitutes, tissue engineering approaches emerged to create cell repopulated decellularized scaffolds. This study was performed to determine the glycosaminoglycans content, distribution, and disaccharides composition in porcine aortic and pulmonary valves and in pericardium before and after a detergent-based decellularization procedure. The fine structural characteristics of galactosaminoglycans chondroitin sulfate and dermatan sulfate were examined by FACE. Furthermore, the mechanical properties of decellularized pericardium and its propensity to be repopulated by in vitro seeded fibroblasts were investigated. Results show that galactosaminoglycans and hyaluronan are differently distributed between pericardium and valves and within heart valves themselves before and after decellularization. The distribution of glycosaminoglycans is also dependent from the vascular district and topographic localization. The decellularization protocol adopted resulted in a relevant but not selective depletion of galactosaminoglycans. As a whole, data suggest that both decellularized porcine heart valves and bovine pericardium represent promising materials bearing the potential for future development of tissue engineered heart valve scaffolds.

  2. The running fine structure constant α(E) via the Adler function

    International Nuclear Information System (INIS)

    Jegerlehner, F.

    2008-06-01

    We present an up-to-date analysis for a precise determination of the effective fine structure constant and discuss the prospects for future improvements. We advocate to use a determination monitored by the Adler function which allows us to exploit perturbative QCD in an optimal well controlled way. Together with a long term program of hadronic cross section measurements at energies up to a few GeV, a determination of α(M Z ) at a precision comparable to the one of the Z mass M Z should be feasible. Presently α(E) at E >1 GeV is the least precisely known of the fundamental parameters of the SM. Since, in spite of substantial progress due to new BaBar exclusive data, the region 1.4 to 2.4 GeV remains the most problematic one a major step in the reduction of the uncertainties are expected from VEPP-2000 and from a possible ''high-energy'' option DAFNE-2 at Frascati. The up-to-date evaluation reads Δ (5) had (M 2 Z )=0.027515±0.000149 or α -1 (M 2 Z )=128.957±0.020. (orig.)

  3. The fine structure of electron irradiation induced EL2-like defects in n-GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Tunhuma, S. M.; Auret, F. D.; Legodi, M. J.; Diale, M. [Department of Physics, University of Pretoria, Private Bag X20, Pretoria 0002 (South Africa)

    2016-04-14

    Defects induced by electron irradiation in n-GaAs have been studied using deep level transient spectroscopy (DLTS) and Laplace DLTS (L-DLTS). The E{sub 0.83} (EL2) is the only defect observed prior to irradiation. Ru/n-GaAs Schottky diodes were irradiated with high energy electrons from a Sr-90 radionuclide up to a fluence of 2.45 × 10{sup 13} cm{sup −2}. The prominent electron irradiation induced defects, E{sub 0.04}, E{sub 0.14}, E{sub 0.38}, and E{sub 0.63}, were observed together with the metastable E{sub 0.17}. Using L-DLTS, we observed the fine structure of a broad base EL2-like defect peak. This was found to be made up of the E{sub 0.75}, E{sub 0.83}, and E{sub 0.85} defects. Our study reveals that high energy electron irradiation increases the concentration of the E{sub 0.83} defect and introduces a family of defects with electronic properties similar to those of the EL2.

  4. Implication of Spatial and Temporal Variations of the Fine-Structure Constant

    Science.gov (United States)

    Feng, Sze-Shiang; Yan, Mu-Lin

    2016-02-01

    Temporal and spatial variations of fine-structure constant α ≡ e2/hbar c in cosmology have been reported in analysis of combination Keck and VLT data. This paper studies the variations based on consideration of basic spacetime symmetry in physics. Both laboratory α 0 and distant α z are deduced from relativistic spectrum equations of atoms (e.g., hydrogen atom) defined in inertial reference systems. When Einstein's Λ≠0, the metric of local inertial reference systems in SM of cosmology is Beltrami metric instead of Minkowski, and the basic spacetime symmetry has to be de Sitter (dS) group. The corresponding special relativity (SR) is dS-SR. A model based on dS-SR is suggested. Comparing the predictions on α-varying with the data, the parameters are determined. The best-fit dipole mode in α's spatial varying is reproduced by this dS-SR model. α-varyings in whole sky are also studied. The results are generally in agreement with the estimations of observations. The main conclusion is that the phenomenon of α-varying cosmologically with dipole mode dominating is due to the de Sitter (or anti de Sitter) spacetime symmetry with a Minkowski point in an extended special relativity called de Sitter invariant special relativity (dS-SR) developed by Dirac-Inönü-Wigner-Gürsey-Lee-Lu-Zou-Guo.

  5. Fine structure and functional comments of mouthparts in Platypus cylindrus (Col., Curculionidae: Platypodinae).

    Science.gov (United States)

    Belhoucine, Latifa; Bouhraoua, Rachid T; Prats, Eva; Pulade-Villar, Juli

    2013-02-01

    Oak pinhole borer, Platypus cylindrus is seen in recent years as one of the biggest enemies directly involved in the observed decline of cork oak in Mediterranean forests with all the economic implications. As an ambrosia beetle, it has developed its effective drilling mouthpart enough to make tunnels in hardwood of the tree. The fine structural aspects of the mouthpart using the field emission scanning electron microscopy are analyzed about 23 adults collected in galleries of infested cork oak trees (Quercus suber) in a littoral forest of northwest Algeria. These adults are preserved in alcohol 70%, cleaned and coated with gold. The mouthparts of this beetle consist commonly of a labrum, a pair of mandibles, a pair of maxillae and the labium but with adapted structure to excavate galleries in the hardwood. In this role is also involved the first pair of legs. The function that present the different structures related to the construction of the tunnels is discussed. Both of maxillary and labial palpi direct the food to the mouth and hold it while the mandibles chew the food. The distal ends of these palpi are flattened and have shovel-like setae. Females have larger maxillary palpi than males and this is related to the particular biology of each sex. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Fine-structure transitions of interstellar atomic sulfur and silicon induced by collisions with helium.

    Science.gov (United States)

    Lique, F; Kłos, J; Le Picard, S D

    2018-02-21

    Atomic sulfur and silicon are important constituents of the interstellar matter and are both used as tracers of the physical conditions in interstellar shocks and outflows. We present an investigation of the spin-orbit (de-)excitation of S( 3 P) and Si( 3 P) atoms induced by collisions with helium with the aim to improve the determination of atomic sulfur and silicon abundances in the interstellar medium from S and Si emission spectra. Quantum-mechanical calculations have been performed in order to determine rate coefficients for the fine-structure transitions in the 5-1000 K temperature range. The scattering calculations are based on new highly correlated ab initio potentials. The theoretical results show that the (de-)excitation of Si is much faster than that of S. The rate coefficients deduced from this study are in good agreement with previous experimental and theoretical findings despite some deviations at low temperatures. From the computation of critical densities defined as the ratios between Einstein coefficients and the sum of the relevant collisional de-excitation rate coefficients, we show that local thermodynamic equilibrium conditions are not fulfilled for analyzing S and Si emission spectra observed in the interstellar medium. Hence, the present rate coefficients will be extremely useful for the accurate determination of interstellar atomic sulfur and silicon abundances.

  7. Can temporal fine structure represent the fundamental frequency of unresolved harmonics?

    Science.gov (United States)

    Oxenham, Andrew J; Micheyl, Christophe; Keebler, Michael V

    2009-04-01

    At least two modes of pitch perception exist: in one, the fundamental frequency (F0) of harmonic complex tones is estimated using the temporal fine structure (TFS) of individual low-order resolved harmonics; in the other, F0 is derived from the temporal envelope of high-order unresolved harmonics that interact in the auditory periphery. Pitch is typically more accurate in the former than in the latter mode. Another possibility is that pitch can sometimes be coded via the TFS from unresolved harmonics. A recent study supporting this third possibility [Moore et al. (2006a). J. Acoust. Soc. Am. 119, 480-490] based its conclusion on a condition where phase interaction effects (implying unresolved harmonics) accompanied accurate F0 discrimination (implying TFS processing). The present study tests whether these results were influenced by audible distortion products. Experiment 1 replicated the original results, obtained using a low-level background noise. However, experiments 2-4 found no evidence for the use of TFS cues with unresolved harmonics when the background noise level was raised, or the stimulus level was lowered, to render distortion inaudible. Experiment 5 measured the presence and phase dependence of audible distortion products. The results provide no evidence that TFS cues are used to code the F0 of unresolved harmonics.

  8. Preferred Compression Speed for Speech and Music and Its Relationship to Sensitivity to Temporal Fine Structure

    Directory of Open Access Journals (Sweden)

    Brian C. J. Moore

    2016-03-01

    Full Text Available Multichannel amplitude compression is widely used in hearing aids. The preferred compression speed varies across individuals. Moore (2008 suggested that reduced sensitivity to temporal fine structure (TFS may be associated with preference for slow compression. This idea was tested using a simulated hearing aid. It was also assessed whether preferences for compression speed depend on the type of stimulus: speech or music. Twenty-two hearing-impaired subjects were tested, and the stimulated hearing aid was fitted individually using the CAM2A method. On each trial, a given segment of speech or music was presented twice. One segment was processed with fast compression and the other with slow compression, and the order was balanced across trials. The subject indicated which segment was preferred and by how much. On average, slow compression was preferred over fast compression, more so for music, but there were distinct individual differences, which were highly correlated for speech and music. Sensitivity to TFS was assessed using the difference limen for frequency at 2000 Hz and by two measures of sensitivity to interaural phase at low frequencies. The results for the difference limens for frequency, but not the measures of sensitivity to interaural phase, supported the suggestion that preference for compression speed is affected by sensitivity to TFS.

  9. All-Optical dc Nanotesla Magnetometry Using Silicon Vacancy Fine Structure in Isotopically Purified Silicon Carbide

    Directory of Open Access Journals (Sweden)

    D. Simin

    2016-07-01

    Full Text Available We uncover the fine structure of a silicon vacancy in isotopically purified silicon carbide (4H-^{28}SiC and reveal not yet considered terms in the spin Hamiltonian, originated from the trigonal pyramidal symmetry of this spin-3/2 color center. These terms give rise to additional spin transitions, which would be otherwise forbidden, and lead to a level anticrossing in an external magnetic field. We observe a sharp variation of the photoluminescence intensity in the vicinity of this level anticrossing, which can be used for a purely all-optical sensing of the magnetic field. We achieve dc magnetic field sensitivity better than 100  nT/sqrt[Hz] within a volume of 3×10^{-7}mm^{3} at room temperature and demonstrate that this contactless method is robust at high temperatures up to at least 500 K. As our approach does not require application of radio-frequency fields, it is scalable to much larger volumes. For an optimized light-trapping waveguide of 3  mm^{3}, the projection noise limit is below 100  fT/sqrt[Hz].

  10. Speciation and characterization of arsenic in gold ores and cyanidation tailings using X-ray absorption spectroscopy

    Science.gov (United States)

    Paktunc, D.; Foster, A.; Heald, S.; Laflamme, G.

    2004-01-01

    The knowledge of mineralogy and molecular structure of As is needed to better understand the stability of As in wastes resulting from processing of gold ores. In this study, optical microscopy, scanning electron microscopy, electron microprobe, X-ray diffraction and X-ray absorption fine structure (XAFS) spectroscopy (including both XANES and EXAFS regimes) were employed to determine the mineralogical composition and local coordination environment of As in gold ores and process tailings from bench-scale tests designed to mimic a common plant practice. Arsenic-bearing minerals identified in the ores and tailings include iron (III) oxyhydroxides, scorodite (FeAsO4??2H2O), ferric arsenates, arseniosiderite (Ca2Fe3 (AsO4)3O2??3H2O), Ca-Fe arsenates, pharmacosiderite (KFe4 (AsO4)3(OH)4??6-7H2O), jarosite (K2Fe6(SO4)4 (OH)12) and arsenopyrite (FeAsS). Iron (III) oxyhydroxides contain variable levels of As from trace to about 22 wt% and Ca up to approximately 9 wt%. Finely ground ore and tailings samples were examined by bulk XAFS and selected mineral grains were analyzed by microfocused XAFS (micro-EXAFS) spectroscopy to reconcile the ambiguities of multiple As sources in the complex bulk EXAFS spectra. XANES spectra indicated that As occurs as As5+in all the samples. Micro-EXAFS spectra of individual iron (III) oxyhydroxide grains with varying As concentrations point to inner-sphere bidentate-binuclear arsenate complexes as the predominant form of As. There are indications for the presence of a second Fe shell corresponding to bidentate-mononuclear arrangement. Iron (III) oxyhydroxides with high As concentrations corresponding to maximum adsorption densities probably occur as nanoparticles. The discovery of Ca atoms around As in iron (III) oxyhydroxides at interatomic distances of 4.14-4.17 A?? and the coordination numbers suggest the formation of arseniosiderite-like nanoclusters by coprecipitation rather than simple adsorption of Ca onto iron (III) oxyhydroxides

  11. QUDeX-MS: hydrogen/deuterium exchange calculation for mass spectra with resolved isotopic fine structure.

    Science.gov (United States)

    Salisbury, Joseph P; Liu, Qian; Agar, Jeffrey N

    2014-12-11

    Hydrogen/deuterium exchange (HDX) coupled to mass spectrometry permits analysis of structure, dynamics, and molecular interactions of proteins. HDX mass spectrometry is confounded by deuterium exchange-associated peaks overlapping with peaks of heavy, natural abundance isotopes, such as carbon-13. Recent studies demonstrated that high-performance mass spectrometers could resolve isotopic fine structure and eliminate this peak overlap, allowing direct detection and quantification of deuterium incorporation. Here, we present a graphical tool that allows for a rapid and automated estimation of deuterium incorporation from a spectrum with isotopic fine structure. Given a peptide sequence (or elemental formula) and charge state, the mass-to-charge ratios of deuterium-associated peaks of the specified ion is determined. Intensities of peaks in an experimental mass spectrum within bins corresponding to these values are used to determine the distribution of deuterium incorporated. A theoretical spectrum can then be calculated based on the estimated distribution of deuterium exchange to confirm interpretation of the spectrum. Deuterium incorporation can also be detected for ion signals without a priori specification of an elemental formula, permitting detection of exchange in complex samples of unidentified material such as natural organic matter. A tool is also incorporated into QUDeX-MS to help in assigning ion signals from peptides arising from enzymatic digestion of proteins. MATLAB-deployable and standalone versions are available for academic use at qudex-ms.sourceforge.net and agarlabs.com . Isotopic fine structure HDX-MS offers the potential to increase sequence coverage of proteins being analyzed through mass accuracy and deconvolution of overlapping ion signals. As previously demonstrated, however, the data analysis workflow for HDX-MS data with resolved isotopic fine structure is distinct. QUDeX-MS we hope will aid in the adoption of isotopic fine structure HDX

  12. New analysis methods for skin fine-structure via optical image and development of 3D skin Cycloscan(™).

    Science.gov (United States)

    Han, J Y; Nam, G W; Lee, H K; Kim, M J; Kim, E J

    2015-11-01

    This study was conducted to develop methods for measuring skin fine-structure via optical image and apparatus for photographing to analyze efficacy of anti-aging. We developed an apparatus named 3D Skin CycloScan(™) to evaluate the efficacy of cosmetics by imagification of skin fine-structure such as wrinkles, pores, and skin texture. The semi-sphere shaped device has 12 different sequential flashing light sources captures optical image simultaneously in one second to exclude the influence of the subject's movement. The normal map that is extracted through shape from shading method is composed of face contour and skin fine-structure parts. When the low-frequency component which is the result of the Gaussian Filter application is eliminated, we can get only skin fine-structure. In this normal map, it is possible to extract two-dimensional vector map called direction map and we can regulate the intensity of the image of wrinkles, pores, and skin texture after filtering the direction map. We performed a clinical study to apply this new apparatus and methods to evaluate an anti-aging efficacy of cosmetics visually and validate with other conventional methods. After using anti-aging cream including 2% adenosine for 8 weeks, the total amount of fine wrinkle around eye area detected via 3D Skin CycloScan(™) was reduced by 12.1%. Also, wrinkles on crow's feet measured by PRIMOS COMPACT(®) (GFMesstechnik GmbH, Germany) reduced 11.7%. According to an aspect of the present study, by changing the direction of the lights toward to subject's skin, we can obtain the information about the fine structures present on the skin such as wrinkles, pores, or skin texture and represent it as an image. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  13. The Fine Structure of Some Blood Vessels of the Earthworm, Eisenia foetida

    Science.gov (United States)

    Hama, Kiyoshi

    1960-01-01

    The fine structure of the main dorsal and ventral circulatory trunks and of the subneural vessels and capillaries of the ventral nerve cord of the earthworm, Eisenia foetida, has been studied with the electron microscope. All of these vessels are lined internally by a continuous extracellular basement membrane varying in thickness (0.03 to 1 µ) with the vessel involved. The dorsal, ventral, and subneural vessels display inside this membrane scattered flattened macrophagic or leucocytic cells called amebocytes. These lie against the inner lining of the basement membrane, covering only a small fraction of its surface. They have long, attenuated branching cell processes. All of these vessels are lined with a continuous layer of unfenestrated endothelial cells displaying myofilaments and hence qualifying for the designation of "myoendothelial cells." The degree of muscular specialization varies over a spectrum, however, ranging from a delicate endowment of thin myofilaments in the capillary myoendothelial cells to highly specialized myoendothelial cells in the main pulsating dorsal blood trunk, which serves as the worm's "heart" or propulsive "aorta." The myoendothelial cells most specialized for contraction display well organized sarcoplasmic reticulum and myofibrils with thick and thin myofilaments resembling those of the earthworm body wall musculature. In the ventral circulatory trunk, circular and longitudinal myofilaments are found in each myoendothelial cell. In the dorsal trunk, the lining myoendothelial cells contain longitudinal myofilaments. Outside these cells are circular muscle cells. The lateral parts of the dorsal vessels have an additional outer longitudinal muscle layer. The blood plasma inside all of the vessels shows scattered particles representing the circulating earthworm blood pigment, erythrocruorin. PMID:14399190

  14. EXAFS Studies of Palladium Nanoparticles: Size Control and Hydrogenation

    Science.gov (United States)

    Harris, T.; Soussan, L.; Isseroff, R.; Sun, Y.; Rafailovich, M. H.; Frenkel, A. I.

    2007-02-01

    We synthesized several samples of thiol-stabilized Pd nanoparticles by controlling their size with the palladium/thiol ratio from 5:1 to 1:3. Size dependence on the Pd/thiol ratio was verified by comparing the Pd-S and Pd-Pd coordination numbers. The average size of free-standing nanoparticles decreased as the thiol concentration increased and stabilized at the 1:2 value of palladium/thiol ratio. In addition to the free-standing nanoparticles, we analyzed their thin films by depositing them as monolayers on Kapton film using Langmuir-Blodgett technique. We obtained that the structure of the nanoparticles was preserved, within the accuracy of the EXAFS measurement, after preparing Langmuir films. We also studied the effect of hydrogenation on the both type of the nanoparticles (the free standing ones and those in the monolayers). In both cases, exposure to 4 atm H2 pressure resulted in the elongation of the average Pd-Pd distance. The larger change (0.06±0.03 Å, relative to the non-hydrogenated films) was observed in the smaller clusters (with 1:1 Pd thiol ratio), and the smaller change (0.03±0.01 Å) — in the larger clusters (with 3:1 ratio). Such bond length expansion is attributed to the defects caused by H2 adsorption.

  15. Microwave spectroscopy of the 1 s n p P3J fine structure of high Rydberg states in 4He

    Science.gov (United States)

    Deller, A.; Hogan, S. D.

    2018-01-01

    The 1 s n p P3J fine structure of high Rydberg states in helium has been measured by microwave spectroscopy of single-photon transitions from 1 s n s S31 levels in pulsed supersonic beams. For states with principal quantum numbers in the range from n =34 to 36, the J =0 →2 and J =1 →2 fine structure intervals were both observed. For values of n between 45 and 51 only the larger J =0 →2 interval was resolved. The experimental results are in good agreement with theoretical predictions. Detailed characterization of residual uncanceled electric and magnetic fields in the experimental apparatus and calculations of the Stark and Zeeman structures of the Rydberg states in weak fields were used to quantify systematic contributions to the uncertainties in the measurements.

  16. Role of iron modifier on boron atomization process using graphite furnace-atomic absorption spectrometry based on speciation of iron using X-ray absorption fine structure

    Science.gov (United States)

    Yamamoto, Yuhei; Tagami, Azusa; Shiarasaki, Toshihiro; Yonetani, Akira; Yamamoto, Takashi; Imai, Shoji

    2018-04-01

    The role of an Fe modifier on boron atomization process using graphite furnace-atomic absorbance spectrometry was investigated using a spectroscopic approach. The initial state of the Fe modifier in a pyrolytic graphite (PG) furnace was trivalent. With an increase in pyrolysis temperature, the Fe modifier was reduced in a stepwise manner. Fe2O3 and Fe3O4 were dominant at pyrolysis temperatures below 1300 K. From 1300 to 1500 K, FeO was dominant. At temperatures higher than 1700 K, Fe metal was dominant. After a drying step, 17.7% of the initial B remained in the PG furnace. After the pyrolysis step at 773 K, the residual fraction of B was similar to that after the drying step. After the pyrolysis step at a temperature of 1073 K, the residual fraction was 11.7%. At pyrolysis temperatures > 1738 K, the residual fraction was <3.3% (

  17. R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

    Science.gov (United States)

    Luo, D.; Pradhan, A. K.

    1990-01-01

    The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

  18. Stokes shift and fine-structure splitting in CdSe / CdTe invert type-II ...

    Indian Academy of Sciences (India)

    Worasak Sukkabot

    2018-01-09

    Jan 9, 2018 ... that the Stokes shift and fine-structure splitting (FSS) in semiconductor core/shell nanocrystals are predominantly affected by the shell thickness and band profiles. CdSe/CdTe invert type-II and CdTe/CdSe type-II core/shell nanocrystals are used as the simulated candidates in order to obtain the different ...

  19. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure

    International Nuclear Information System (INIS)

    Huang, Z.

    1992-10-01

    Angle-resolved photoemission extended fine structure (ARPEFS) was used to study molecular and metallic overlayers on metal surfaces through analysis of p2mg(2x1)CO/Ni(110) and the p(2x2)K/Ni(111) adsorption. For the dense p2mg(2x1)CO/Ni(110) surface layer, photoemission intensities from C 1s level were measured in three directions at photoelectron kinetic energies 60-400 eV. Using multiple-scattering spherical-wave (MSSW) modeling, it was found that CO molecules are adsorbed on short-bridge sites, with adjacent CO along the [110] direction displaced alternatively in opposite directions towards the [001] azimuths to form a zigzag chain geometry. The tilt angle is 16±2 degree from the surface normal for the direction linking the C atom and the center of the Ni bridge. The carbon C-Ni interatomic distance was determined to be 1.94±0.02 Angstrom. The first- to second-layer spacing of Ni is 1.27±0.04 Angstrom, up from 1.10 Angstrom for the clean Ni(110) surface, but close to the 1.25 Angstrom Ni interlayer spacing in the bulk. The C-O bond length and tilt angle were varied within small ranges (1.10--1.20 Angstrom and 15--23 degrees) in our MSSW simulations. Best agreement between experiment and simulations was achieved at 1.16 Angstrom and 19 degrees. This yields an O-O distance of 2.95 Angstrom for the two nearest CO molecules, (van der Waals' radius ∼ 1.5 Angstrom for oxygen). Two different partial-wave phase-shifts were used in MSSW, and structural results from both are in very good agreement. For the p(2x2)K/Ni(111) overlayer, ARPEFS χ(k) curves from K 1s level measured along [111] and [771] at 130K showed that the K atoms are preferentially adsorbed on the atop sites, in agreement with a LEED study of the same system

  20. Fine structure analysis of biocompatible ceramic materials based hydroxyapatite and metallic biomaterials 316L

    International Nuclear Information System (INIS)

    Anghelina, F.V.; Ungureanu, D.N.; Bratu, V.; Popescu, I.N.; Rusanescu, C.O.

    2013-01-01

    The aim of this paper was to obtain and characterize (surface morphology and fine structure) two types of materials: Ca 10 (PO 4 ) 6 (OH) 2 hydroxyapatite powder (HAp) as biocompatible ceramic materials and AISI 316L austenitic stainless steels as metallic biomaterials, which are the components of the metal–ceramic composites used for medical implants in reconstructive surgery and prosthetic treatment. The HAp was synthesized by coprecipitation method, heat treated at 200 °C, 800 °C and 1200 °C for 4 h, analyzed by X-ray diffraction (XRD) and scanning electron microscope (SEM). The stainless steel 316L type was made by casting, annealing and machined with a low speed (100 mm/s) in order to obtain a smooth surface and after that has been studied from residual stresses point of view in three polishing regimes conditions: at low speed polishing (150 rpm), at high speed polishing (1500 rpm) and high speed-vibration contact polishing (1500 rpm) using wide angle X-ray diffractions (WAXD). The chemical compositions of AISI 316 steel samples were measured using a Foundry Master Spectrometer equipped with CCD detector for spectral lines and the sparking spots of AISI 316L samples were analyzed using SEM. By XRD the phases of HAp powders have been identified and also the degree of crystallinity and average size of crystallites, and with SEM, we studied the morphology of the HAp. It has been found from XRD analysis that we obtained HAp with a high degree of crystallinity at 800 °C and 1200 °C, no presence of impurity and from SEM analysis we noticed the influence of heat treatment on the ceramic particles morphology. From the study of residual stress profiles of 316L samples were observed that it differs substantially for different machining regimes and from the SEM analysis of sparking spots we revealed the rough surfaces of stainless steel rods necessary for a better adhesion of HAp on it.

  1. FAR-INFRARED FINE-STRUCTURE LINE DIAGNOSTICS OF ULTRALUMINOUS INFRARED GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Farrah, D.; Petty, S. M.; Harris, K. [Department of Physics, Virginia Tech, Blacksburg, VA 24061 (United States); Lebouteiller, V.; Spoon, H. W. W. [Cornell University, CRSR, Space Sciences Building, Ithaca, NY 14853 (United States); Bernard-Salas, J.; Pearson, C. [Department of Physics and Astronomy, The Open University, Milton Keynes MK7 6AA (United Kingdom); Rigopoulou, D. [RAL Space, Rutherford Appleton Laboratory, Harwell, Oxford OX11 0QX (United Kingdom); Smith, H. A. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); González-Alfonso, E. [Universidad de Alcalá, Departamento de Física y Matemáticas, Campus Universitario, E-28871 Alcalá de Henares, Madrid (Spain); Clements, D. L. [Physics Department, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom); Efstathiou, A. [School of Sciences, European University Cyprus, Diogenes Street, Engomi, 1516 Nicosia (Cyprus); Cormier, D. [Institut für theoretische Astrophysik, Zentrum für Astronomie der Universität Heidelberg, Albert-Ueberle Str. 2, D-69120 Heidelberg (Germany); Afonso, J. [Centro de Astronomia e Astrofísica da Universidade de Lisboa, Observatório Astronómico de Lisboa, Tapada da Ajuda, 1349-018 Lisbon (Portugal); Hurley, P. [Department of Physics and Astronomy, University of Sussex, Falmer, Brighton BN1 9QH (United Kingdom); Borys, C. [Infrared Processing and Analysis Center, MS220-6, California Institute of Technology, Pasadena, CA 91125 (United States); Verma, A. [Oxford Astrophysics, Denys Wilkinson Building, University of Oxford, Keble Rd, Oxford OX1 3RH (United Kingdom); Cooray, A.; Salvatelli, V. [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States)

    2013-10-10

    We present Herschel observations of 6 fine-structure lines in 25 ultraluminous infrared galaxies at z < 0.27. The lines, [O III]52 μm, [N III]57 μm, [O I]63 μm, [N II]122 μm, [O I]145 μm, and [C II]158 μm, are mostly single Gaussians with widths <600 km s{sup –1} and luminosities of 10{sup 7}-10{sup 9} L{sub ☉}. There are deficits in the [O I]63/L{sub IR}, [N II]/L{sub IR}, [O I]145/L{sub IR}, and [C II]/L{sub IR} ratios compared to lower luminosity systems. The majority of the line deficits are consistent with dustier H II regions, but part of the [C II] deficit may arise from an additional mechanism, plausibly charged dust grains. This is consistent with some of the [C II] originating from photodissociation regions or the interstellar medium (ISM). We derive relations between far-IR line luminosities and both the IR luminosity and star formation rate. We find that [N II] and both [O I] lines are good tracers of the IR luminosity and star formation rate. In contrast, [C II] is a poor tracer of the IR luminosity and star formation rate, and does not improve as a tracer of either quantity if the [C II] deficit is accounted for. The continuum luminosity densities also correlate with the IR luminosity and star formation rate. We derive ranges for the gas density and ultraviolet radiation intensity of 10{sup 1} < n < 10{sup 2.5} and 10{sup 2.2} < G{sub 0} < 10{sup 3.6}, respectively. These ranges depend on optical type, the importance of star formation, and merger stage. We do not find relationships between far-IR line properties and several other parameters: active galactic nucleus (AGN) activity, merger stage, mid-IR excitation, and SMBH mass. We conclude that these far-IR lines arise from gas heated by starlight, and that they are not strongly influenced by AGN activity.

  2. Sensitivity of inferior colliculus neurons to interaural time differences in the envelope versus the fine structure with bilateral cochlear implants.

    Science.gov (United States)

    Smith, Zachary M; Delgutte, Bertrand

    2008-05-01

    Bilateral cochlear implantation seeks to improve hearing by taking advantage of the binaural processing of the central auditory system. Cochlear implants typically encode sound in each spectral channel by amplitude modulating (AM) a fixed-rate pulse train, thus interaural time differences (ITD) are only delivered in the envelope. We investigated the ITD sensitivity of inferior colliculus (IC) neurons with sinusoidally AM pulse trains. ITD was introduced independently to the AM and/or carrier pulses to measure the relative efficacy of envelope and fine structure for delivering ITD information. We found that many IC cells are sensitive to ITD in both the envelope (ITD(env)) and fine structure (ITD(fs)) for appropriate modulation frequencies and carrier rates. ITD(env) sensitivity was generally similar to that seen in normal-hearing animals with AM tones. ITD(env) tuning generally improved with increasing modulation frequency up to the maximum modulation frequency that elicited a sustained response in a neuron (tested pulse/s (pps) carriers and was nonexistent at 5,000 pps. The neurons that were sensitive to ITD(fs) at 1,000 pps were those that showed the best ITD sensitivity to low-rate pulse trains. Overall, the best ITD sensitivity was found for ITD contained in the fine structure of a moderate rate AM pulse train (1,000 pps). These results suggest that the interaural timing of current pulses should be accurately controlled in a bilateral cochlear implant processing strategy that provides salient ITD cues.

  3. A correlational method to concurrently measure envelope and temporal fine structure weights: effects of age, cochlear pathology, and spectral shaping.

    Science.gov (United States)

    Fogerty, Daniel; Humes, Larry E

    2012-09-01

    The speech signal may be divided into spectral frequency-bands, each band containing temporal properties of the envelope and fine structure. This study measured the perceptual weights for the envelope and fine structure in each of three frequency bands for sentence materials in young normal-hearing listeners, older normal-hearing listeners, aided older hearing-impaired listeners, and spectrally matched young normal-hearing listeners. The availability of each acoustic property was independently varied through noisy signal extraction. Thus, the full speech stimulus was presented with noise used to mask six different auditory channels. Perceptual weights were determined by correlating a listener's performance with the signal-to-noise ratio of each acoustic property on a trial-by-trial basis. Results demonstrate that temporal fine structure perceptual weights remain stable across the four listener groups. However, a different weighting typography was observed across the listener groups for envelope cues. Results suggest that spectral shaping used to preserve the audibility of the speech stimulus may alter the allocation of perceptual resources. The relative perceptual weighting of envelope cues may also change with age. Concurrent testing of sentences repeated once on a previous day demonstrated that weighting strategies for all listener groups can change, suggesting an initial stabilization period or susceptibility to auditory training.

  4. Development of an x-ray beam line at the NSLS for studies in materials science using x-ray absorption spectroscopy: Annual progress report

    International Nuclear Information System (INIS)

    Sayers, D.E.

    1987-01-01

    The research programs reported span virtually the entire range of condensed matter studies involving the fields of solid state physics, chemistry, electrochemistry, materials science and biochemistry. Results are discussed for various groups. Topics reported include work on amorphous chalcogenide semiconductors, particularly photostructural changes, kinetics of structural changes and rapid quenching, bond strengths, force constants and phonons. Also reported are temperature dependent EXAFS studies of bonding in high temperature alloys, amorphous systems, disordered alloys and studies of resolve electronic structure, EXAFS and XANES studies of permanent magnet systems based on Nd 2 Fe 14 B, glancing angle EXAFS study of Nb/Al and Nb/Si interfacial systems, x-ray absorption of krypton-implanted solids and high dose implants into silicon, and x-ray absorption and EXAFS studies of superconducting oxide compounds of Cu and related magnetic systems. Work is also reported on XAFS measurements on the icosahedral phase

  5. Correlation between the fine structure of spin-coated PEDOT:PSS and the photovoltaic performance of organic/crystalline-silicon heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Funda, Shuji; Ohki, Tatsuya; Liu, Qiming; Hossain, Jaker; Ishimaru, Yoshihiro; Ueno, Keiji; Shirai, Hajime [Graduate School of Science and Engineering, Saitama University, Saitama 338-8570 (Japan)

    2016-07-21

    We investigated the relationship between the fine structure of spin-coated conductive polymer poly(3,4-ethylenedioxythiphene):poly(styrene sulfonate) (PEDOT:PSS) films and the photovoltaic performance of PEDOT:PSS crystalline-Si (PEDOT:PSS/c-Si) heterojunction solar cells. Real-time spectroscopic ellipsometry revealed that there were two different time constants for the formation of the PEDOT:PSS network. Upon removal of the polar solvent, the PEDOT:PSS film became optically anisotropic, indicating a conformational change in the PEDOT and PSS chain. Polarized Fourier transform infrared attenuated total reflection absorption spectroscopy and Raman spectroscopy measurements also indicated that thermal annealing promoted an in-plane π-conjugated C{sub α} = C{sub β} configuration attributed to a thiophene ring in PEDOT and an out-of-plane configuration of -SO{sub 3} groups in the PSS chain with increasing composition ratio of oxidized (benzoid) to neutral (quinoid) PEDOT, I{sub qui}/I{sub ben}. The highest power conversion efficiency for the spin-coated PEDOT:PSS/c-Si heterojunction solar cells was 13.3% for I{sub qui}/I{sub ben} = 9–10 without employing any light harvesting methods.

  6. Speciation of Zinc in ash investigated by X-ray absorption spectroscopy; Zinks foerekomstformer i aska studerade med en roentgenabsorptionsspektrometrisk metod

    Energy Technology Data Exchange (ETDEWEB)

    Steenari, Britt-Marie; Noren, Katarina

    2008-06-15

    Direct identification of trace metal compounds in solid materials is difficult to achieve due to the detection limits of available analytical methods. Although zinc is the most abundant trace metal in combustion residues, the number of publications dealing with its direct speciation is small. Struis and co-workers have published an investigation where they used Extended X-ray Absorption Fine Structure spectroscopy (EXAFS) measurements to identify zinc compounds in municipal solid waste incineration fly ash. The EXAFS technique has been used more often for speciation of Zn in contaminated soil. EXAFS data for farm soil samples showed that zinc was most commonly sequestered in layer silicates, but soil particles containing zinc sulphide, zinc chromite and zinc phosphate were also found. Generally, published results show that zinc after being mobilised in a soil, has a clear tendency to be sequestered in silicates, as sulphides or, if there is phosphate available, as phosphate. The aim of the work presented in this work was to use the EXAFS method to show how zinc in chemically bound in ash from woody fuels and from municipal solid waste (MSW). The results can be used for evaluations of the possible toxicity of ash and in predictions of the leaching of zinc from ash. The investigation comprised dry ashes from two fluidised bed combustors fired with forestry litter, bark and other wood fuels, moistened and aged wood ashes and dry ashes from three MSW incinerators: one fluidised bed combustor and two stoker fired combustors. The spectroscopic measurements were carried out at the beam line I811 in the Swedish national synchrotron facility Maxlab at Lund University. The results showed that the lowest concentration of Zn in ash for which it is possible to get any information about the nearest neighbour atoms around zinc is about 500 mg Zn per kg dry ash. If the concentration is higher than 1000 mg/ kg it is possible to obtain information, not only about the nearest

  7. Structural characterization and EXAFS wavelet analysis of Yb doped ZnO by wet chemistry route

    Energy Technology Data Exchange (ETDEWEB)

    Otal, Eugenio H., E-mail: eugenio.otal@citedef.gob.ar [Division of Porous Materials, UNIDEF, CITEDEF, CONICET, S.J.B de la Salle 4397, Villa Martelli (B1603ALO), Buenos Aires (Argentina); Laboratory for Materials Science and Technology, FRSC-UTN, Av. Inmigrantes 555, Río Gallegos 9400 (Argentina); Sileo, Elsa [INQUIMAE, Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Aguirre, Myriam H. [Dept. of Physics Condensed Matter, University of Zaragoza (Spain); Laboratory of Advanced Microscopy (LMA), Institute of Nanoscience of Aragón (INA), University of Zaragoza (Spain); Fabregas, Ismael O. [Division of Porous Materials, UNIDEF, CITEDEF, CONICET, S.J.B de la Salle 4397, Villa Martelli (B1603ALO), Buenos Aires (Argentina); Kim, Manuela [Division of Porous Materials, UNIDEF, CITEDEF, CONICET, S.J.B de la Salle 4397, Villa Martelli (B1603ALO), Buenos Aires (Argentina); Laboratory for Materials Science and Technology, FRSC-UTN, Av. Inmigrantes 555, Río Gallegos 9400 (Argentina)

    2015-02-15

    Highlights: • Optical and electrical properties of ZnO are influenced by lanthanide doping. • Optical and electrical properties of ZnO are influenced by lanthanide positioning. • Yb is incorporated in the O{sub h} sites of the wurtzite structure. • There is not Yb{sub 2}O{sub 3} clustering or segregation for treatments below 800 °C. - Abstract: Lanthanide doped ZnO are interesting materials for optical and electrical applications. The wide band gap of this semiconductor makes it transparent in the visible range (E{sub gap} = 3.2 eV), allowing a sharp emission from intra shell transition from the lanthanides. From the electrical side, ZnO is a widely used material in varistors and its electrical properties can be tailored by the inclusion of lanthanides. Both applications are influenced by the location of the lanthanides, grain boundaries or lattice inclusion. Yb doped ZnO samples obtained by wet chemistry route were annealed at different temperatures and characterized by Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Rietveld refinement of XRD data, and X-ray Absorption Fine Structure (XAFS). These techniques allowed to follow the changes occurred in the matrix and the Yb environment. The use of the Cauchy continuous wavelet transform allowed identifying a second coordination shell composed of Zn atoms, supporting the observations from XRD Rietveld refinement and XAFS fittings. The information obtained confirmed the incorporation of Yb in O{sub h} sites of the wurtzite structure without Yb{sub 2}O{sub 3} clustering in the lattice.

  8. Titanium dioxide fine structures by RF magnetron sputter method deposited on an electron-beam resist mask

    Science.gov (United States)

    Hashiba, Hideomi; Miyazaki, Yuta; Matsushita, Sachiko

    2013-09-01

    Titanium dioxide (TiO2) has been draw attention for wide range of applications from photonic crystals for visible light range by its catalytic characteristics to tera-hertz range by its high refractive index. We present an experimental study of fabrication of fine structures of TiO2 with a ZEP electron beam resist mask followed by Ti sputter deposition techniques. A TiO2 thin layer of 150 nm thick was grown on an FTO glass substrate with a fine patterned ZEP resist mask by a conventional RF magnetron sputter method with Ti target. The deposition was carried out with argon-oxygen gases at a pressure of 5.0 x 10 -1 Pa in a chamber. During the deposition, ratio of Ar-O2 gas was kept to the ratio of 2:1 and the deposition ratio was around 0.5 Å/s to ensure enough oxygen to form TiO2 and low temperature to avoid deformation of fine pattern of the ZPU resist mask. Deposited TiO2 layers are white-transparent, amorphous, and those roughnesses are around 7 nm. Fabricated TiO2 PCs have wider TiO2 slabs of 112 nm width leaving periodic 410 x 410 nm2 air gaps. We also studied transformation of TiO2 layers and TiO2 fine structures by baking at 500 °C. XRD measurement for TiO2 shows that the amorphous TiO2 transforms to rutile and anatase forms by the baking while keeping the same profile of the fine structures. Our fabrication method can be one of a promising technique to optic devices on researches and industrial area.

  9. Probing the KII 3p54p fine structure by photoelectron spectroscopy of laser-excited potassium

    International Nuclear Information System (INIS)

    Meyer, M; Cubaynes, D; Wuilleumier, F J; Heinecke, E; Richter, T; Zimmermann, P; Strakhova, S I; Grum-Grzhimailo, A N

    2006-01-01

    Photoelectron spectra of atomic potassium excited by laser optical pumping into the 3p 6 4p 2 P 1/2 and 2 P 3/2 states are measured with high-energy resolution. The relative intensities of the 3p 5 4p fine-structure lines depend strongly on the initial excitation to one of the 4p spin-orbit components. Similar to the case of sodium, dynamically and quasiforbidden transitions are observed in the photoelectron spectra of potassium. The theoretical predictions of the generalized geometrical model are in excellent agreement with the experimental data. (letter to the editor)

  10. Characterization of self-organized InGaN/GaN quantum dots by Diffraction Anomalous Fine Structure (DAFS)

    International Nuclear Information System (INIS)

    Piskorska, E.; Holy, V.; Siebert, M.; Schmidt, Th.; Falta, J.; Yamaguchi, T.; Hommel, D.; Renevier, H.

    2006-01-01

    The local chemical composition of InGaN quantum dots grown by a MBE method on GaN virtual substrates was investigated by x-ray diffraction anomalous fine-structure method. From the detailed numerical analysis of the data we were able to reconstruct the local neighborhood of Ga atoms at different positions in the dots. Using this approach, we found that the In content increases from 20% at the dot base to 40-50% at the top. (author) [pl

  11. Fine Structure in the Secondary Electron Emission Peak for Diamond Crystal with (100) Negative Electron Affinity Surface

    Science.gov (United States)

    Asnin, V. M.; Krainsky, I. L.

    1998-01-01

    A fine structure was discovered in the low-energy peak of the secondary electron emission spectra of the diamond surface with negative electron affinity. We studied this structure for the (100) surface of the natural type-IIb diamond crystal. We have found that the low-energy peak consists of a total of four maxima. The relative energy positions of three of them could be related to the electron energy minima near the bottom of the conduction band. The fourth peak, having the lowest energy, was attributed to the breakup of the bulk exciton at the surface during the process of secondary electron emission.

  12. Measuring the Electron’s Charge and the Fine-Structure Constant by Counting Electrons on a Capacitor

    Science.gov (United States)

    Williams, E. R.; Ghosh, Ruby N.; Martinis, John M.

    1992-01-01

    The charge of the electron can be determined by simply placing a known number of electrons on one electrode of a capacitor and measuring the voltage, Vs, across the capacitor. If Vs is measured in terms of the Josephson volt and the capacitor is measured in SI units then the fine-structure constant is the quantity determined. Recent developments involving single electron tunneling, SET, have shown bow to count the electrons as well as how to make an electrometer with sufficient sensitivity to measure the charge. PMID:28053434

  13. Apparent wavelength shifts of H-like ions caused by the spectral fine structure observed in CHS plasmas

    International Nuclear Information System (INIS)

    Nishimura, Shin; Ida, Katsumi

    1998-01-01

    A new charge exchange spectroscopy (CXS) system viewing the plasma from the upside and the downside simultaneously was installed on the Compact Helical System (CHS) to detect the absolute value of Doppler shift due to poloidal rotation velocity ( i ∼ 100 eV) and in the after-glow recombining phase (T i ∼ 30 eV). The apparent Doppler shift is always red-shift regardless the direction of plasma rotation and is explained as the effect of the spectral fine structure of hydrogen-like ions. (author)

  14. IR Fine-Structure Line Signatures of Central Dust-Bounded Nebulae in Luminous Infrared Galaxies

    Science.gov (United States)

    Fischer, J.; Allen, R.; Dudley, C. C.; Satyapal, S.; Luhman, M.; Wolfire, M.; Smith, H. A.

    2004-01-01

    To date, the only far-infrared spectroscopic observations of ultraluminous infrared galaxies have been obtained with the European Space Agency s Infrared Space Observatory Long Wavelength Spectrometer. The spectra of these galaxies are characterized by molecular absorption lines and weak emission lines from photodissociation regions (PDRs), but no far-infrared (greater than 40 microns) lines from ionized regions have been detected. ESA s Herschel Space Observatory, slated for launch in 2007, will likely be able to detect these lines in samples of local and moderate redshift ultra luminous galaxies and to enable measurement of the ionization parameters, the slope of the ionizing continuum, and densities present in the ionized regions of these galaxies. The higher spatial resolution of proposed observatories discussed in this workshop will enable isolation of the central regions of local galaxies and detection of these lines in high-redshift galaxies for study of the evolution of galaxies. Here we discuss evidence for the e.ects of absorption by dust within ionized regions and present the spectroscopic signatures predicted by photoionization modeling of dust-bounded regions.

  15. [Correlation of fine structures of distributions of amplitudes of a photomultiplier dark current fluctuations with the Earth rotations about its axis].

    Science.gov (United States)

    Fedorov, M V; Belousov, L V; Voeĭkov, V L; Zenchenko, K I; Zenchenko, T A; Konradov, A A; Shnol', S E

    2001-01-01

    The fine structures of distributions of photomultiplier dark current fluctuations measured in two laboratories 2000 km distant from other: in the international Institute of Biophysics (Neuss, Germany) and in the Moscow State University (Moscow, Russia) were compared. It is shown that similar forms of appropriate histograms are apparently more often realized at both locations at the same local time. This confirms the previous conclusion that the fine structure of distributions correlates with rotation of the Earth about its axis.

  16. Product fine-structure resolved photodissociation dynamics: The A band of H2O

    International Nuclear Information System (INIS)

    Zhou, Linsen; Xie, Daiqian; Sun, Zhigang; Guo, Hua

    2014-01-01

    The photodissociation dynamics of H 2 O in its first absorption band is investigated on an accurate potential energy surface based on a large number of high-level ab initio points. Several ro-vibrational states of the parent molecule are considered. Different from most previous theoretical studies, the spin-orbit and Λ-doublet populations of the open-shell OH fragment are reported from full-dimensional wave packet calculations. The populations of the two spin-orbit manifolds are in most cases close to the statistical limit, but the Λ-doublet is dominated by the A ″ component, thanks largely to the fast in-plane dissociation of H 2 O(A ~1 A ′′ ). Comparisons with experimental data and a Franck-Condon model are generally very good, although some discrepancies exist

  17. Fine structure of spectra of a bound exciton in tetragonal zinc diphosphide

    International Nuclear Information System (INIS)

    Syrbu, N.N.; Morozova, V.I.; Stratan, G.I.

    1989-01-01

    Investigation into the low-temperature luminescence spectra recorded in different crystal geometry relative to the direction of incident radiation wave vector, has demonstrated the existence of saddle-shaped valent zone ceiling near k=0 in zinc tetragonal diphosphide monocrystals. Binding energies of free (2.2085 eV) and bound (A(2.1943eV)B(2.1765eV), C(2.1447eV)) excitons as well as the phonon energy value are determined by investigations into absorption spectrum and radiative recombination. Phonon-free lines of bound A 0 and C 0 excitons are splitted into 2.2 and 0.3 MeV respectively. The band exciton singlet-triplet state splittings in a magnetic field and their field dependences are obtained. The spectroscopic splitting factor g=1.9 is determined

  18. Chemical shift of Mn and Cr K-edges in X-ray absorption ...

    Indian Academy of Sciences (India)

    The above chemical effect has been quantitatively described by determining the effective charges on Mn and Cr cations in the above compounds. Keywords. Mn K edge; Cr K edge; EXAFS; synchrotron radiation; energy shift; oxidation state; effective charge. 1. Introduction. It is well known that the X-ray absorption edge of a ...

  19. Platinum Deactivation: In Situ EXAFS Study During Aqueous Alcohol Oxidation Reaction

    NARCIS (Netherlands)

    Koningsberger, D.C.; Ruitenbeek, M.; Kuster, B.F.M.; Marin, G.B.

    1998-01-01

    With a new setup for in situ EXAFS spectroscopy the state of a carbonsupported platinum catalyst during aqueous alcohol oxidation has been observed. The catalyst deactivation during platinumcatalysed cyclohexanol oxidation is caused by platinum surface oxide formation. The detected Pt–O coordination

  20. Study on the local atomic structure of germanium in organic germanium compounds by EXAFS

    Science.gov (United States)

    Wang, Yin-song; Wu, Zhong-hua; Shi, Yun-tian; Wang, Yong-jie

    1999-04-01

    Organic germanium compounds have been extensively applied in medicine as tonics. In this paper, the local structures of two organic germanium compounds, carboxyethylgermanium sesquioxide and polymeric germanium glutamate, were determined by EXAFS. The structure parameters including coordination numbers and bond lengths were reported, and possible structure patterns were discussed.

  1. Temporal Fine-Structure Coding and Lateralized Speech Perception in Normal-Hearing and Hearing-Impaired Listeners

    DEFF Research Database (Denmark)

    Locsei, Gusztav; Pedersen, Julie Hefting; Laugesen, Søren

    2016-01-01

    This study investigated the relationship between speech perception performance in spatially complex, lateralized listening scenarios and temporal fine-structure (TFS) coding at low frequencies. Young normal-hearing (NH) and two groups of elderly hearing-impaired (HI) listeners with mild or modera...... understanding in spatially complex environments, these limitations were unrelated to TFS coding abilities and were only weakly associated with a reduction in binaural-unmasking benefit for spatially separated competing sources.......This study investigated the relationship between speech perception performance in spatially complex, lateralized listening scenarios and temporal fine-structure (TFS) coding at low frequencies. Young normal-hearing (NH) and two groups of elderly hearing-impaired (HI) listeners with mild or moderate...... and interaural phase difference thresholds at 250 Hz. NH listeners had clearly better SRTs than the HI listeners. However, when maskers were spatially separated from the target, the amount of SRT benefit due to binaural unmasking differed only slightly between the groups. Neither the frequency discrimination...

  2. Direct Observation of the M1 Transition between the Ground Term Fine Structure Levels of W VIII

    Directory of Open Access Journals (Sweden)

    Momoe Mita

    2017-03-01

    Full Text Available We present a direct observation of the M1 transition between the fine structure splitting in the 4 f 13 5 s 2 5 p 6 2 F ground term of W VIII. The spectroscopic data of few-times ionized tungsten ions are important for the future ITER diagnostics, but there is a serious lack of data. The present study is part of an ongoing effort to solve this problem. Emission from the tungsten ions produced and trapped in a compact electron beam ion trap is observed with a Czerny–Turner visible spectrometer. Spectra in the EUV range are also observed at the same time to help identify the previously-unreported visible lines. The observed wavelength 574.47 ± 0.03 nm (air, which corresponds to the fine structure splitting of 17,402.5 ± 0.9 cm − 1 , shows reasonable agreement with the previously reported value 17,410 ± 5 cm − 1 obtained indirectly through the analysis of EUV spectra [Ryabtsev et al., Atoms 3 (2015 273].

  3. A tale of two pectins: Diverse fine structures can result from identical processive PME treatments on similar high DM substrates.

    Science.gov (United States)

    Owen, J L; Kent, L M; Ralet, M-C; Cameron, R G; Williams, M A K

    2017-07-15

    The effects of a processive pectin-methylesterase (PME) treatment on two different pectins, both possessing a high degree of methylesterification (DM), were investigated. While the starting samples were purportedly very similar in fine structure, the intermolecular DM distributions arising from their PME treatments were strikingly different. Herein, a simulation that illuminates the origin of this phenomenon is described. It is concluded that: (1) very different low-DM samples (with the same average DM) can be generated using the same processive PME, simply by a judicious choice of the high DM starting material; (2) observing the intermolecular DM distribution of the products of processive-PME-processing is an extremely sensitive discriminator of the fine structure of high DM starting materials; and (3) for PMEs with unknown action patterns the processive nature of the enzyme is most simply revealed by studying the changes it induces in the intermolecular DM distribution of very-highly-methylesterified homogalacturonans. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Modeling the fine structure of the 2f1-f2 acoustic distortion product. I. Model development.

    Science.gov (United States)

    Sun, X M; Schmiedt, R A; He, N J; Lam, C F

    1994-10-01

    The fine structure of the 2f1-f2 acoustic distortion product (ADP) as a function of frequency has been measured in human subjects and shows a series of sharp peaks and valleys (rippling) with peak-to-valley level differences of up to 15-20 dB. In order to delineate the cause of the ADP rippling pattern, a computer model was developed to simulate the behavior of the ADP, specifically the ADP fine structure. The ADP model includes the middle ear and cochlea. The middle ear was treated as a simple signal delivery system in both the forward and reverse directions. The ADP was assumed to be generated within the cochlea by nonlinear elements taken to be the outer hair cells (OHCs), and an array of ADP generators was used to simulate the OHCs along the basilar membrane (BM). The magnitude and phase of the output of each of the ADP generators were functions of the local responses of the two primary traveling waves. The traveling waves were calculated from a passive transmission line model of the BM using the WKB approximation, coupled to a second-order resonance to mimic the contribution from active OHC feedback. The system output of ADP in dB was proportional to the weighted vectorial sum of all the components, arriving at the stapes. Parameters such as lateral coupling and feedback gain were examined.

  5. Mechanism of Selenite Removal by a Mixed Adsorbent Based on Fe–Mn Hydrous Oxides Studied Using X-ray Absorption Spectroscopy

    KAUST Repository

    Chubar, Natalia

    2014-11-18

    © 2014 American Chemical Society. Selenium cycling in the environment is greatly controlled by various minerals, including Mn and Fe hydrous oxides. At the same time, such hydrous oxides are the main inorganic ion exchangers suitable (on the basis of their chemical nature) to sorb (toxic) anions, separating them from water solutions. The mechanism of selenite adsorption by the new mixed adsorbent composed of a few (amorphous and crystalline) phases [maghemite, MnCO3, and X-ray amorphous Fe(III) and Mn(III) hydrous oxides] was studied by extended X-ray absorption fine structure (EXAFS) spectroscopy [supported by Fourier transform infrared (FTIR) and X-ray diffraction (XRD) data]. The complexity of the porous adsorbent, especially the presence of the amorphous phases of Fe(III) and Mn(III) hydrous oxides, is the main reason for its high selenite removal performance demonstrated by batch and column adsorption studies shown in the previous work. Selenite was bound to the material via inner-sphere complexation (via oxygen) to the adsorption sites of the amorphous Fe(III) and Mn(III) oxides. This anion was attracted via bidentate binuclear corner-sharing coordination between SeO3 2- trigonal pyramids and both FeO6 and MnO6 octahedra; however, the adsorption sites of Fe(III) hydrous oxides played a leading role in selenite removal. The contribution of the adsorption sites of Mn(III) oxide increased as the pH decreased from 8 to 6. Because most minerals have a complex structure (they are seldom based on individual substances) of various crystallinity, this work is equally relevant to environmental science and environmental technology because it shows how various solid phases control cycling of chemical elements in the environment.

  6. Effect of Fe(II)/Ce(III) dosage ratio on the structure and anion adsorptive removal of hydrothermally precipitated composites: Insights from EXAFS/XANES, XRD and FTIR

    KAUST Repository

    Chubar, Natalia

    2016-10-24

    In this work, we present material chemistry in the hydrothermal synthesis of new complex structure materials based on various dosage ratios of Fe and Ce (1:0, 2:1, 1:1, 1:2, 0:1), characterize them by the relevant methods that allow characterization of both crystalline and amorphous phases and correlate their structure/surface properties with the adsorptive performance of the five toxic anions. The applied synthesis conditions resulted in the formation of different compounds of Fe and Ce components. The Fe-component was dominated by various phases of Fe hydrous oxides, whereas the Ce-component was composed of various phases of Ce carbonates. The presence of two metal salts in raw materials resulted in the formation of a mesoporous structure and averaged the surface area compared to one metal-based material. The surface of all Fe-Ce composites was abundant in Fe component phases. Two-metal systems showed stronger anion removal performance than one-metal materials. The best adsorption was demonstrated by Fe-Ce based materials that had low crystallinity, that were rich in phases and that exhibited surfaces were abundant in greater number of surface functional groups. Notably, Fe extended fine structures simulated by EXAFS in these better adsorbents were rich from oscillations from both heavy and light atoms. This work provides new insights on the structure of composite inorganic materials useful to develop their applications in adsorption and catalysis. It also presents new inorganic anion exchangers with very high removal potential to fluoride and arsenate.

  7. Interpretation of x-ray absorption spectra in compounds with configurational disorder

    International Nuclear Information System (INIS)

    Kuzmin, A.; Dalba, G.; Fornasini, P.; Rocca, F.; Sipr, O.

    2005-01-01

    Full text: X-ray absorption spectroscopy (EXAFS and XANES) provides with unique information on electronic, atomic and dynamic structure of materials. Standard EXAFS and XANES analysis is based on relatively simple structural models as Gaussian / normal distribution. However, there are many compounds as glasses and nanocrystalline materials in which atoms of the same type occupy structural sites with different local environments. Therefore, special approach is required to access properly the case of configurational disorder. In this work we present recent developments for such problem

  8. Angle and Polarization Dependent Fluorescence EXAFS Measurements on Al-doped Single Crystal V_2O3 Above and Below the Transition Temperature

    Science.gov (United States)

    Müller, O.; Pfalzer, P.; Schramme, M.; Urbach, J.-P.; Klemm, M.; Horn, S.; Frenkel, A. I.; Denboer, M. L.

    1998-03-01

    We present angle and polarisation dependent flourescence EXAFS measured on Al-doped single crystal V_2O3 below and above the structural phase transition from monoclinic to trigonal. Strong self-absorption distorted the spectra; this was corrected by using the procedure described by Tröger et al. (L. Tröger, D. Arvantis, K. Baberschke, H. Michaelis, U. Grimm, and E. Zschech, Phys. Rev. B,.46), 3238 (1992), generalized to the Lytle detector employed in our work. The spectra show pronounced dependence on the angle between the threefold symmetry axes and the polarization of the incident photons, making it possible to measure the local atomic distances in different directions. We compare our results with the measurements of Frenkel et al. (A. I. Frenkel, E. A. Stern, and F. A. Chudnovsky, Sol. State Comm.102), 637 (1997) on pure V_2O3 They found that locally the monoclinic distortion persists in the trigonal metallic phase.

  9. Grazing incidence XAFS under non-specular conditions

    International Nuclear Information System (INIS)

    Keil, Patrick; Luetzenkirchen-Hecht, Dirk; Frahm, Ronald

    2005-01-01

    The extended X-ray absorption fine structure technique (EXAFS) in the reflection mode under specular and non-specular conditions was used for the ex situ investigation of a sputter-deposited thin copper film on a float glass substrate. We prove the existence of a fine structure similar to EXAFS, which can be observed in the region of diffusely scattered intensities. It is shown that this new technique is surface sensitive for grazing angles above the critical angle of total reflection and an even higher surface sensitivity with respect to conventional reflection mode EXAFS can be achieved

  10. EXAFS characterization of supported metal catalysts in chemically dynamic environments

    International Nuclear Information System (INIS)

    Robota, H.J.

    1991-01-01

    Characterization of catalysts focuses on the identification of an active site responsible for accelerating desirable chemical reactions. The identification, characterization, and selective modification of such sites is fundamental to the development of structure-function relationships. Unfortunately, this goal is far from realized in nearly all catalysts, and particularly in catalysts comprised of small supported metal particles. X-ray absorption spectroscopy (XAS) has had a dramatic effect on our understanding of supported metal particles in their resting state. However, the performance of a catalyst can not be assessed from such simple resting state measurements. Among the factors which influence catalyst performance are the exact catalyst composition, including the support and any modifiers; particle size; catalyst finishing and pretreatment conditions; pressure, composition, and temperature of the operating environment; time. Gaining an understanding of how the structure of a catalytic site can change with such an array of variables requires that we begin to develop measurement methods which are effective under chemically dynamic conditions. Ideally, it should be possible to obtain a full X-ray absorption spectrum of each element thought to have a causal relationship with observed catalyst properties. From these spectra, we can optimally extract only a relatively limited amount of information which we must then piece together with information derived from other characterization methods and intuition to arrive at a hypothetical structure of the operating catalyst. Information about crystallinity, homogeneity, and general disorder can be obtained from the Debye-Waller factor. Finally, through analogy with known compounds, the electronic structure of the active atoms can be inferred from near edge absorption features

  11. Precision test of many-body QED in the Be$^{+} 2p$ fine structure doublet using short-lived isotopes

    CERN Document Server

    Nörtershäuser, Wilfried; Krieger, Andreas; Pachucki, Krzysztof; Puchalski, Mariusz; Blaum, Klaus; Bissell, Mark L; Frömmgen, Nadja; Hammen, Michael; Kowalska, Magdalena; Krämer, Jörg; Kreim, Kim; Neugart, Rainer; Neyens, Gerda; Sánchez, Rodolfo; Yordanov, Deyan T

    2015-01-01

    Absolute transition frequencies of the $2s\\; ^2{\\rm S}_{1/2} \\rightarrow 2p\\;^2\\mathrm{P}_{1/2,3/2}$ transitions in Be$^+$ were measured for the isotopes $^{7,9-12}$Be. The fine structure splitting of the $2p$ state and its isotope dependence are extracted and compared to results of \\textit{ab initio} calculations using explicitly correlated basis functions, including relativistic and quantum electrodynamics effects at the order of $m \\alpha^6$ and $m \\alpha^7 \\ln \\alpha$. Accuracy has been improved in both the theory and experiment by 2 orders of magnitude, and good agreement is observed. This represents one of the most accurate tests of quantum electrodynamics for many-electron systems, being insensitive to nuclear uncertainties.

  12. The role of temporal fine structure information for the low pitch of high-frequency complex tones

    DEFF Research Database (Denmark)

    Santurette, Sébastien; Dau, Torsten

    2011-01-01

    The fused low pitch evoked by complex tones containing only unresolved high-frequency components demonstrates the ability of the human auditory system to extract pitch using a temporal mechanism in the absence of spectral cues. However, the temporal features used by such a mechanism have been...... a matter of debate. For stimuli with components lying exclusively in high-frequency spectral regions, the slowly varying temporal envelope of sounds is often assumed to be the only information contained in auditory temporal representations, and it has remained controversial to what extent the fast...... amplitude fluctuations, or temporal fine structure (TFS), of the conveyed signal can be processed. Using a pitch-matching paradigm, the present study found that the low pitch of inharmonic transposed tones with unresolved components was consistent with the timing between the most prominent TFS maxima...

  13. Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

    Science.gov (United States)

    Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

    2016-01-01

    We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters. PMID:27491952

  14. Detection of O I and Si II far-infrared fine-structure emission from Alpha Orionis

    Science.gov (United States)

    Haas, Michael R.; Glassgold, Alfred E.

    1993-01-01

    We have detected forbidden O I 63 micron and forbidden Si II 35 micron emission from the oxygen-rich, M2 lab supergiant, Alpha Orionis (Betelgeuse). The forbidden O I line flux is 2.4 +/- 0.2 x 10 exp -18 W/sq cm, and the forbidden Si II line flux is 0.9 +/- 0.4 x 10 exp -18 W/sq cm. These fluxes are consistent with the thermal model of Rodgers and Glassgold (1991), which indicates that the emission arises in dense, warm gas in Alpha Ori's inner envelope and implies that nearly all of the available O and Si is in atomic form. This is the first reported detection of FIR, fine-structure emission from the inner or transition region of a circumstellar envelope, where molecules and dust are expected to form.

  15. Limits on evolution of the fine-structure constant in runaway dilaton models from Sunyaev–Zeldovich observations

    Directory of Open Access Journals (Sweden)

    R.F.L. Holanda

    2017-04-01

    Full Text Available In this paper, new bounds on possible variations of the fine structure constant, α, for a class of runaway dilaton models are performed. By considering a possible evolution with redshift, z, such as Δαα=−γln⁡(1+z, where in γ are the physical properties of the model, we constrain this parameter by using a deformed cosmic distance duality relation jointly with gas mass fraction (GMF measurements of galaxy clusters and luminosity distances of type Ia supernovae. The GMF's used in our analyses are from cluster mass data from 82 galaxy clusters in the redshift range 0.12

  16. Degradation products of profenofos as identified by high-field FTICR mass spectrometry: Isotopic fine structure approach.

    Science.gov (United States)

    Angthararuk, Dusit; Harir, Mourad; Schmitt-Kopplin, Philippe; Sutthivaiyakit, Somyote; Kettrup, Antonius; Sutthivaiyakit, Pakawadee

    2017-01-02

    This study was performed to identify the degradation products of profenofos "a phenyl organothiophosphate insecticide" in raw water (RW) collected from the entry point of Metropolitan Water Works Authority "Bangkaen, Thailand" and ultrapure water (UPW) with and without TiO 2 under simulated sunlight irradiation. Degradation of profenofos was followed with ultrahigh performance liquid chromatography (UHPLC) and follows pseudo first-order kinetic. Accordingly, high-field FTICR mass spectrometry coupled to an electrospray ionization source was used to reveal the degradation routes of profenofos and the isotopic fine structures (IFS) elucidations to approve the chemical structures of its degradation products. More degradation products were detected in UPW as compared to RW. Consequently, two main degradation pathways namely (i) interactive replacements of bromine and hydrogen by hydroxyl functional groups and (ii) rupture of PO, PS, CBr and CCl bonds were observed. None interactive replacement of chlorine by hydroxyl functional group was detected. Accordingly, mechanistical pathways of the main degradation products were established.

  17. Evidence of the nature of core-level photoemission satellites using angle-resolved photoemission extended fine structure

    International Nuclear Information System (INIS)

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A.

    1997-01-01

    The authors present a unique method of experimentally determining the angular momentum and intrinsic/extrinsic origin of core-level photoemission satellites by examining the satellite diffraction pattern in the Angle Resolved Photoemission Extended Fine Structure (ARPEFS) mode. They show for the first time that satellite peaks not associated with chemically differentiated atomic species display an ARPEFS intensity oscillation. They present ARPEFS data for the carbon 1s from (√3x√3)R30 CO/Cu(111) and p2mg(2xl)CO/Ni(110), nitrogen 1s from c(2x2) N 2 /Ni(100), cobalt 1s from p(1x1)Co/Cu(100), and nickel 3p from clean nickel (111). The satellite peaks and tails of the Doniach-Sunjic line shapes in all cases exhibit ARPEFS curves which indicate an angular momentum identical to the main peak and are of an intrinsic nature

  18. Evidence of the nature of core-level photoemission satellites using angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The authors present a unique method of experimentally determining the angular momentum and intrinsic/extrinsic origin of core-level photoemission satellites by examining the satellite diffraction pattern in the Angle Resolved Photoemission Extended Fine Structure (ARPEFS) mode. They show for the first time that satellite peaks not associated with chemically differentiated atomic species display an ARPEFS intensity oscillation. They present ARPEFS data for the carbon 1s from ({radical}3x{radical}3)R30 CO/Cu(111) and p2mg(2xl)CO/Ni(110), nitrogen 1s from c(2x2) N{sub 2}/Ni(100), cobalt 1s from p(1x1)Co/Cu(100), and nickel 3p from clean nickel (111). The satellite peaks and tails of the Doniach-Sunjic line shapes in all cases exhibit ARPEFS curves which indicate an angular momentum identical to the main peak and are of an intrinsic nature.

  19. Role of short-time acoustic temporal fine structure cues in sentence recognition for normal-hearing listeners.

    Science.gov (United States)

    Hou, Limin; Xu, Li

    2018-02-01

    Short-time processing was employed to manipulate the amplitude, bandwidth, and temporal fine structure (TFS) in sentences. Fifty-two native-English-speaking, normal-hearing listeners participated in four sentence-recognition experiments. Results showed that recovered envelope (E) played an important role in speech recognition when the bandwidth was > 1 equivalent rectangular bandwidth. Removing TFS drastically reduced sentence recognition. Preserving TFS greatly improved sentence recognition when amplitude information was available at a rate ≥ 10 Hz (i.e., time segment ≤ 100 ms). Therefore, the short-time TFS facilitates speech perception together with the recovered E and works with the coarse amplitude cues to provide useful information for speech recognition.

  20. On the relationship between the population of the fine structure levels of the ground electronic state of atomic oxygen and the translational temperature

    Science.gov (United States)

    Sharma, R.; Zygelman, B.; von Esse, F.; Dalgarno, A.

    1994-08-01

    Using a recent calculation of the cross sections for fine structure changing collisions during an encounter between two oxygen atoms in the ground electronic state, we determine the population of the fine structure levels of oxygen as a function of altitude for four model atmospheres representing conditions at 0 deg longitude, 45 deg latitude, at midday and midnight, and high and low solar and geomagnetic activity. We include the effect of electron impacts. The fine structure levels are shown to be in local thermodynamic equilibrium (LTE) at the local neutral atom translational temperature for altitudes up to 350 km and 400 km for midnight and midday, respectively, at low activity, and up to at least 600 km at high activity. At higher altitudes spotaneous emission causes deviation from LTE and overpopulates the lowest (J = 2) level at the expense of the other two levels.

  1. Recovery of distortion product otoacoustic emissions after a 2-kHz monaural sound-exposure in humans: effects on fine structures

    DEFF Research Database (Denmark)

    de Toro, Miguel Angel Aranda; Ordoñez, Rodrigo Pizarro; Reuter, Karen

    2010-01-01

    A better understanding of the vulnerability of the fine structures of distortion-product otoacoustic emissions (DPOAEs) after acoustic overexposure may improve the knowledge about DPOAE generation, cochlear damage, and lead to more efficient diagnostic tools. It is studied whether the DPOAE fine...... structures of 16 normal-hearing human subjects are systematically affected after a moderate monaural sound-exposure of 10 min to a 2-kHz tone normalized to an exposure level LEX,8h of 80 dBA. DPOAEs were measured before and in the following 70 min after the exposure. The experimental protocol allowed...... of the sound exposure. The results show that the effects on fine structures are highly individual and no systematic change was observed....

  2. Materials science EXAFS line at the NSLS: characterization and initial operations

    International Nuclear Information System (INIS)

    Heald, S.M.; Pick, M.A.; Tranquada, J.M.

    1985-01-01

    The characterization and initial operation of a materials science EXAFS beam line at the NSLS is described. This line has a unique combination of components including a 4-crystal focusing monochromator and SiC collimating mirror. Discussion of the monochromator will include a comparison with conventional two crystal designs and techniques for maintaining crystal alignment during EXAFS scans. The dispersive nature of the monochromator also allows a measurement of the NSLS emittance which appears to be near design values. This means significant intensity gains can be realized with a collimating mirror which is planned as a future addition to the beam line optics. Some experimental results will be used to demonstrate the capabilities of the beam line. 5 refs

  3. Influence of mechanical milling and thermal annealing on electrical ...

    Indian Academy of Sciences (India)

    Wintec

    vibrating sample magnetometer (VSM, EG&G, PARC,. Model 4500, USA) with a maximum available field of. 0⋅7 T. The extended X-ray absorption fine structure. (EXAFS) measurements were done using a laboratory. X-ray absorption spectrometer (Rigaku R-XAS Lopper) at Ni K (8332 eV) and Zn K (9663 eV) absorption ...

  4. On the local structure of Ti during in situ desorption of Ti(OBu)(4) and TiCl3 doped NaAlH4

    NARCIS (Netherlands)

    Balde, Cornelis P.; van der Eerden, Ad M. J.; Stil, Hans A.; de Groot, Frank M. F.; de Jong, Krijn P.; Bitter, Johannes H.

    2007-01-01

    The local structures of Ti doped NaAlH4 were investigated with extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) using Ti(OBU)(4) and TiCl3 precursors. The local structures were linked to literature data on hydrogen desorption and absorption kinetics.

  5. A comparative study of the spectra recorded at RRCAT synchrotron ...

    Indian Academy of Sciences (India)

    2013-01-09

    Jan 9, 2013 ... lar atom. XAS is the modulation of an atom's X-ray absorption probability due to the chemical and physical states of the atom. The XAS is typically divided into two regimes: X-ray absorption near-edge spectroscopy (XANES) and extended X-ray absorption fine- structure spectroscopy (EXAFS). The term ...

  6. Femtometer accuracy EXAFS measurements: Isotopic effect in the first, second and third coordination shells of germanium

    Energy Technology Data Exchange (ETDEWEB)

    Purans, J; Timoshenko, J; Kuzmin, A [Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Dalba, G; Fornasini, P; Grisenti, R; Afify, N D [Dip. di Fisica dell' Universita di Trento, Via Sommarive 14, I-38050 Povo, Trento (Italy); Rocca, F [Istituto di Fotonica e Nanotecnologie del CNR, Sezione ' FBK-CeFSA' di Trento, Povo, Trento (Italy); De Panfilis, S [Research Center Soft INFM-CNR, c/o Universita di Roma La Sapienza, I-00185 Roma (Italy); Ozhogin, I [Institute of Molecular Physics, Russian Research Centre ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Tiutiunnikov, S I, E-mail: purans@cfi.lu.l [Joint Institute for Nuclear Research, 141980 Dubna, Moscow Region (Russian Federation)

    2009-11-15

    The analysis of the EXAFS signals from {sup 70}Ge and {sup 76}Ge has evidenced the low-temperature effect of isotopic mass difference on the amplitude of relative atomic vibrations. This effect is reflected in the difference of the Debye-Waller factors of the first three coordination shells, and on the difference of nearest-neighbour average interatomic distances, evaluated with femtometer accuracy. The experimental results are in agreement with theoretical expectations.

  7. Structural role of molybdenum in nuclear glasses: an EXAFS study

    International Nuclear Information System (INIS)

    Calas, G.; Le Grand, M.; Galoisy, L.; Ghaleb, D.

    2003-01-01

    The Mo environment has been investigated in inactive nuclear glasses using extended X-ray absorption spectroscopy (XAS). Mo is present in a tetrahedron coordinated to oxygen in the form of molybdate groups [MoO 4 ] 2- (d(Mo-O)=1.78 A). This surrounding is not affected by the presence of noble metal phases in the nuclear glass. Relying on the XAS results, on the bond-valence model and on molecular dynamics simulations of a simplified borosilicate model glass, we show that these groups are not directly linked to the borosilicate network but rather located within alkali and alkaline-earth rich domains in the glass. This specific location in the glass network is a way to understand the low solubility of Mo in glasses melted under oxidizing conditions. It also explains the possible phase separation of a yellow phase enriched in alkali molybdates in molten nuclear glasses or the nucleation of calcium molybdates during thermal aging of these glasses. Boron coordination changes in the molten and the glassy states may explain the difference in the composition of the crystalline molybdates, as they exert a direct influence on the activity of alkalis in borosilicate glasses and melts

  8. EXAFS study of Tb-doped silica xerogels

    CERN Document Server

    Rocca, F; Kuzmin, A; Dalmaso, A; Pasqualini, D

    1999-01-01

    The modification of the local environment of Tb/sup 3+/ ions in optically active silica xerogels as a function of concentration (from 400 ppm to 40000 ppm) and thermal treatment (which induces densification) was studied by X-ray absorption spectroscopy at the Tb L/sub 3/ edge. Quantitative analysis of the first Tb-O coordination shell was performed using the experimental signal from Tb/sup 3+/ ions in water solution as a reference. The radial distribution functions (RDF) of the non-thermally treated (NT) gels are characterized by a nearly Gaussian shape, as for the reference sample. On the contrary, the RDF of the densified gels (T) are asymmetric having the main peak at a shorter distance, with a reduced coordination number (N=4-5) and a secondary peak, with N=1-2, at a longer distance. The local environment of Tb in the low concentration sample (400 ppm) is different from that at higher concentrations, both in the NT- and in the T-gels. (15 refs).

  9. The eversible tentacle organs of Polyommatus caterpillars (Lepidoptera, Lycaenidae): Morphology, fine structure, sensory supply and functional aspects.

    Science.gov (United States)

    Gnatzy, W; Jatho, M; Kleinteich, T; Gorb, S N; Hustert, R

    2017-11-01

    In their late (3rd and 4th) larval stages, caterpillars of the myrmecophilous lycaenid (Lepidoptera) species Polyommatus coridon and Polyommatus icarus, possess on their 8th abdominal segment two eversible so called tentacle organs (TOs). Previous histological and behavioural results have proposed that the TOs may release a volatile substance that elicits "excited runs" in attendant ants. In our study we investigated for the first time the temporal in- and eversion pattern of TOs. Using nerve tracing, Micro-CT, light- and electron microscopy techniques we studied (i) the histology of the 8th abdominal segment, (ii) the fine structure of the cuticular and cellular apparatus of the TOs, (iii) the attachment sites of the retractor muscle of each TO and (iv) the fine structure of the long slender tentacle hairs which are exposed to the outside, when the TOs are everted and fold back into the TO-sac during inversion. Our data show that the tentacle hairs are typical insect mechanoreceptors, each innervated by a small bipolar sensory cell with a tubular body in the tip of the outer dendritic segment. The latter is enclosed by a cuticular sheath previously called the "internal cuticular duct" and misinterpreted in earlier studies as the space, where the tentacle hairs actively secrete fluids. However, we found no glandular structures nearby or in the wall of the TO-sac. Also we did not reveal any conspicuous signs of secretory activity in one of the enveloping cells belonging to a tentacle hair. Although highly unusual features for an insect mechanoreceptor are: (a) the hair-shaft lumen of tentacle hairs contains flocculent material as well small vesicles and (b) the thin cuticular wall of the hair-shaft and its spines possess few tiny pores. Our data do not support the assumption of previous studies that volatile substances are released via the tentacle organs during their interactions with ants which in turn are supposed to cause excited runs in ants. Copyright © 2017

  10. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    DEFF Research Database (Denmark)

    Jovari, P.; Saksl, K.; Pryds, Nini

    2007-01-01

    Short range order of amorphous Mg60Cu30Y10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found...... in crystalline Mg2Cu. The Cu-Y coordination number is 1.1 +/- 0.2, and the Cu-Y distance is similar to 4% shorter than the sum of atomic radii, suggesting that attraction between Cu and Y plays an important role in stabilizing the glassy state. Thermal stability and structure evolution upon annealing were also...

  11. Hydrothermal fluoride and chloride complexation of indium: an EXAFS study

    Science.gov (United States)

    Loges, Anselm; Testemale, Denis; Huotari, Simo; Honkanen, Ari-Pekka; Potapkin, Vasily; Wagner, Thomas

    2017-04-01

    Indium (In) is one of the geochemically lesser studied ore metals, and the factors that control the hydrothermal transport and deposition are largely unknown. It has no ore deposits of its own and is commonly mined as a by-product of Zn ores, and there are very few minerals that contain In as an essential structural component. Recently, industrial application of In in touch screen devices has drastically increased demand, which is projected to exceed supply from the current sources in the near future. Since the most relevant In sources are hydrothermal sphalerite ores and to a lesser extent hydrothermal greisen-type deposits in evolved granitic plutons, the aqueous geochemistry of In is of particular interest for understanding its ore forming processes. As a first step towards a comprehensive model for hydrothermal In solubility and speciation, we have studied In speciation in fluoride and chloride bearing solutions at 30-400˚ C and 500 bar using X-Ray Absorption Spectroscopy (XAS) measurements. The experiments were conducted in a unique hydrothermal autoclave setup at beamline BM30B-FAME at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France. Our results show that the complexation of In changes dramatically between 30 and 400˚ C. Below ca. 200˚ C, fluoride complexes are the most stable ones, but they break down at higher temperatures. Chloride complexes on the other hand become increasingly stable with increasing temperature. This behavior has interesting consequences for natural ore forming systems. In Cl-rich systems (e.g. massive sulfide ores formed in sea floor environments), cooling can be an effective precipitating mechanism. In F-rich systems, fluoride complexation can extend In mobility to low temperatures and In will only precipitate when F is effectively removed from the fluid, e.g. by mixing with a Ca-rich fluid and precipitation of fluorite (CaF2) as is commonly observed in skarn or greisen-type deposits. Due to In complexing with

  12. Differential cross sections of fine-structure transitions in K(4P)-He and -Ar collisions

    International Nuclear Information System (INIS)

    Mestdagh, J.M.; de Pujo, P.; Pascale, J.; Cuvellier, J.; Berlande, J.

    1987-01-01

    Differential cross sections for the transition K(4P/sub 3/2/→4P/sub 1/2/) induced by He and Ar have been studied both experimentally and theoretically. Calculations were performed using a full quantal close-coupling formalism. The angular distribution of the scattered atoms is measured by Doppler shift (ADDS method). The comparison with the theoretical calculations is performed on the basis of thorough kinematic analysis. In addition, the polarization effects corresponding to the experimental conditions are taken into account carefully. This allows one to test the accuracy of various interaction potentials available for the K-He and -Ar systems. The most interesting result concerns the K-He l-dependent pseudopotentials, which are found accurate to a sufficiently high level to allow good predictions of the observed differential cross-section patterns. In particular the positions and amplitudes of the cross-section oscillations at large center-of-mass scattering angles are well reproduced. The results for Ar show that the K-Ar potentials must be improved. Finally, taking the K(4P)-He fine-structure transition as an example, it has been shown how polarization effects may be used in ADDS measurements to obtain information on the dynamics of the collision process

  13. Effects of some inhibitors of protein synthesis on the chloroplast fine structure, CO2 fixation and the Hill reaction activity

    Directory of Open Access Journals (Sweden)

    S. Więckowski

    2015-01-01

    Full Text Available A comparative study concerning the effects of chloramphenicol (100 μg ml-1, actidione (10 μg ml-1, 5-bromouracil (190 μg ml-1, actinomycin D (30 μg ml-1 and DL-ethionine (800 μg ml-1 on the chloroplast fine structure, 14CO2 incorporation and the Hill reaction activity was the subject of the experiments presented in this paper. The experiments were conducted on bean seedlings under the conditions when chlorophyll accumulation was inhibited only partially. The results obtained indicate that chloromphenicol is responsible for the reduction of the number of grana per section of plastid and for the formation of numerous vesicles in the stroma. In the presence of actidione, actinomycin D or DL-ethionine the lamellae are poorly differentiated into .stroma and granum regions and there occur disturbances in the typical orientation of lamellae within chloroplasts. Only in the presence of 5-bromouracil the development of chloroplast structure resemble that in control plants. A comparison of the results obtained with those published earlier (Więckowski et al., 1974; Ficek and Więckowski, 1974 shows that such processes as assimilatory pigment accumulation, the rate of CO2 fixation, the Hill reaction activity, and the development of lamellar system are suppressed in a different extent by the inhibitors used.

  14. Relationship of magnetic field strength and brightness of fine-structure elements in the solar temperature minimum region

    Science.gov (United States)

    Cook, J. W.; Ewing, J. A.

    1990-01-01

    A quantitative relationship was determined between magnetic field strength (or magnetic flux) from photospheric magnetograph observations and the brightness temperature of solar fine-structure elements observed at 1600 A, where the predominant flux source is continuum emission from the solar temperature minimum region. A Kitt Peak magnetogram and spectroheliograph observations at 1600 A taken during a sounding rocket flight of the High Resolution Telescope and Spectrograph from December 11, 1987 were used. The statistical distributions of brightness temperature in the quiet sun at 1600 A, and absolute value of magnetic field strength in the same area were determined from these observations. Using a technique which obtains the best-fit relationship of a given functional form between these two histogram distributions, a quantitative relationship was determined between absolute value of magnetic field strength B and brightness temperature which is essentially linear from 10 to 150 G. An interpretation is suggested, in which a basal heating occurs generally, while brighter elements are produced in magnetic regions with temperature enhancements proportional to B.

  15. X-ray diffraction study of the fine structure of twaron fibres in the temperature range 750 kelvin - 9500 kelvin

    International Nuclear Information System (INIS)

    Abu Obaid, A. A.

    1991-01-01

    The thesis dealt with the fine structural behaviour of twaron fibres, spun from the polymer poly (p-phenylene terephthalamide), due to physical treatments in the temperature range 75 to 984 kelvin (-198 to 675 degrees celsius). The treatments were annealing, cooling, cold ageing and vibratory milling. The structure was characterized by wide-angle x-ray diffraction (WAXS) and thermogravimetric analysis (TGA). The structural parameters included crystallinity, microparacrystal (mPc) sizes, net plane spacings, unit cell dimensions and mass stability. The TGA results indicated good mass stability up to 500 degrees celsius. The crystallinity and mPc sizes reached their maximum values after annealing the fibres at 425 degrees celsius (crystallinity increased by 5% and mPC sizes increased by approximately 40 to 50 %). After 500 degrees celsius, the crystallinity and mPC sizes dropped remarkably. Cooling the twaron fibres down to -198 degrees celsius did not affect the structure. Cold ageing of the fibres at -15 degrees celsius for periods up to 100 days, and cold ageing at -198 degrees celsius up to 48 hours did not affect the structure as well; however cold ageing at -198 degrees celsius for 120 hours caused a drop of 5% in the crystallinity and 10% in the mPc sizes. 35 refs., 28 figs., 9 tabs. (A.M.H.)

  16. Fine-structure relaxation of O(3P) induced by collisions with He, H and H2

    Science.gov (United States)

    Lique, F.; Kłos, J.; Alexander, M. H.; Le Picard, S. D.; Dagdigian, P. J.

    2018-02-01

    The excitation of fine-structure levels of O(3P) by collisions is an important cooling process in the interstellar medium (ISM). We investigate here spin-orbit (de-)excitation of O(3Pj, j = 0, 1, 2) induced by collisions with He, H and H2 based on quantum scattering calculations of the relevant rate coefficients in the 10-1000 K temperature range. The underlying potential energy surfaces are derived from highly correlated abinitio calculations. Significant differences were found with the rate coefficients currently used in astrophysical applications. In particular, our new rate coefficients for collisions with H are up to a factor of 5 lower. Radiative transfer computations allow the assessment of the astrophysical impact of these new rate coefficients. In the case of molecular clouds, the new data are found to increase slightly the flux of the 3P1 → 3P2, while decreasing the flux of the 3P0 → 3P1 line. In the case of atomic clouds, the flux of both lines is predicted to decrease. The new rate coefficients are expected to impact significantly the modelling of cooling in astrophysical environments while also allowing new insights into oxygen chemistry in the ISM.

  17. Dark energy and equivalence principle constraints from astrophysical tests of the stability of the fine-structure constant

    Energy Technology Data Exchange (ETDEWEB)

    Martins, C.J.A.P.; Pinho, A.M.M.; Alves, R.F.C. [Centro de Astrofísica da Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Pino, M. [Institut Domènech i Montaner, C/Maspujols 21-23, 43206 Reus (Spain); Rocha, C.I.S.A. [Externato Ribadouro, Rua de Santa Catarina 1346, 4000-447 Porto (Portugal); Wietersheim, M. von, E-mail: Carlos.Martins@astro.up.pt, E-mail: Ana.Pinho@astro.up.pt, E-mail: up201106579@fc.up.pt, E-mail: mpc_97@yahoo.com, E-mail: cisar97@hotmail.com, E-mail: maxivonw@gmail.com [Institut Manuel Sales i Ferré, Avinguda de les Escoles 6, 43550 Ulldecona (Spain)

    2015-08-01

    Astrophysical tests of the stability of fundamental couplings, such as the fine-structure constant α, are becoming an increasingly powerful probe of new physics. Here we discuss how these measurements, combined with local atomic clock tests and Type Ia supernova and Hubble parameter data, constrain the simplest class of dynamical dark energy models where the same degree of freedom is assumed to provide both the dark energy and (through a dimensionless coupling, ζ, to the electromagnetic sector) the α variation. Specifically, current data tightly constrains a combination of ζ and the present dark energy equation of state w{sub 0}. Moreover, in these models the new degree of freedom inevitably couples to nucleons (through the α dependence of their masses) and leads to violations of the Weak Equivalence Principle. We obtain indirect bounds on the Eötvös parameter η that are typically stronger than the current direct ones. We discuss the model-dependence of our results and briefly comment on how the forthcoming generation of high-resolution ultra-stable spectrographs will enable significantly tighter constraints.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-01-15

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

  19. Neutral and Charged Exciton Fine Structure in Single Lead Halide Perovskite Nanocrystals Revealed by Magneto-optical Spectroscopy.

    Science.gov (United States)

    Fu, Ming; Tamarat, Philippe; Huang, He; Even, Jacky; Rogach, Andrey L; Lounis, Brahim

    2017-05-10

    Revealing the crystal structure of lead halide perovskite nanocrystals is essential for the optimization of stability of these emerging materials in applications such as solar cells, photodetectors, and light-emitting devices. We use magneto-photoluminescence spectroscopy of individual perovskite CsPbBr 3 nanocrystals as a unique tool to determine their crystal structure, which imprints distinct signatures in the excitonic sublevels of charge complexes at low temperatures. At zero magnetic field, the identification of two classes of photoluminescence spectra, displaying either two or three sublevels in their exciton fine structure, shows evidence for the existence of two crystalline structures, namely tetragonal D 4h and orthorhombic D 2h phases. Magnetic field shifts, splitting, and coupling of the sublevels provide a determination of the diamagnetic coefficient and valuable information on the exciton g-factor and its anisotropic character. Moreover, this spectroscopic study reveals the optical properties of charged excitons and allows the extraction of the electron and hole g-factors for perovskite systems.

  20. Fine structure of changes produced in cultured cells sampled at specified intervals during a single growth cycle of polio virus.

    Science.gov (United States)

    KALLMAN, F; WILLIAMS, R C; DULBECCO, R; VOGT, M

    1958-05-25

    Primary suspended cultures of rhesus monkey kidney cells were infected with poliomyelitis virus, type 1 (Brunhilde strain). The release of virus from these cells over a one-step growth curve was correlated with their change in fine structure, as seen in the electron microscope. Most of the cells were infected nearly simultaneously, and morphological changes developed in the cells were sufficiently synchronous to be classified into three stages. The earliest change (stage I) became visible at a time when virus release into the culture fluid begins, some 3 hours after adsorption. Accentuation of the abnormal characteristics soon occurs, at 4 to 7 hours after adsorption, and results in stage II. Stage III represents the appearance of cells after their rate of virus release had passed its maximum, and probably the abnormal morphology of these cells reflects non-specific physiological damage. There seems to be consistency between the previously described cellular changes as seen under the light microscope and the finer scale changes reported here. Cytoplasmic bodies, called U bodies, were seen in large number at the time when the virus release was the most rapid (stage II). While these bodies are not of proper size to be considered polio virus, they seem to be specifically related to the infection. No evidence was found for the presence of particles that could even be presumptively identified with those of polio virus.

  1. Multiwavelength anomalous diffraction and diffraction anomalous fine structure to study composition and strain of semiconductor nano structures

    International Nuclear Information System (INIS)

    Favre-Nicolin, V.; Proietti, M.G.; Leclere, C.; Renevier, H.; Katcho, N.A.; Richard, M.I.

    2012-01-01

    The aim of this paper is to illustrate the use of Multi-Wavelength Anomalous Diffraction (MAD) and Diffraction Anomalous Fine Structure (DAFS) spectroscopy for the study of structural properties of semiconductor nano-structures. We give a brief introduction on the basic principles of these techniques providing a detailed bibliography. Then we focus on the data reduction and analysis and we give specific examples of their application on three different kinds of semiconductor nano-structures: Ge/Si nano-islands, AlN capped GaN/AlN Quantum Dots and AlGaN/AlN Nano-wires. We show that the combination of MAD and DAFS is a very powerful tool to solve the structural problem of these materials of high technological impact. In particular, the effects of composition and strain on diffraction are disentangled and composition can be determined in a reliable way, even at the interface between nano-structure and substrate. We show the great possibilities of this method and give the reader the basic tools to undertake its use. (authors)

  2. Alfvénic Dynamics and Fine Structuring of Discrete Auroral Arcs: Swarm and e-POP Observations

    Science.gov (United States)

    Miles, D.; Mann, I. R.; Pakhotin, I.; Burchill, J. K.; Howarth, A. D.; Knudsen, D. J.; Wallis, D. D.; Yau, A. W.; Lysak, R. L.

    2017-12-01

    The electrodynamics associated with dual discrete arc aurora with anti-parallel flow along the arcs were observed nearly simultaneously by the enhanced Polar Outflow Probe (e-POP) and the Swarm A and C spacecraft. Auroral imaging from e-POP reveal 1-10 km structuring of the arcs, which move and evolve on second timescales and confound the traditional single-spacecraft field-aligned current algorithms. High-cadence magnetic data from e-POP shows 1-10 Hz, presumably Alfvénic perturbations co-incident with and at the same scale size as the observed dynamic auroral fine structures. High-cadence electric and magnetic field data from Swarm A reveals non-stationary electrodynamics involving reflected and interfering Alfvén waves and signatures of modulation consistent with trapping in the Ionospheric Alfvén Resonator (IAR). Together, these observations suggest a role for Alfven waves, perhaps also the IAR, in discrete arc dynamics on 0.2 - 10s timescales and 1-10 km spatial scales.

  3. The Fine Structure Constant

    Indian Academy of Sciences (India)

    IAS Admin

    important parameter in the field of atomic struc- ture. The values of the constants of ... tions in their core that produce carbon. As a result, .... atom in 1913. In other words, the size of a hydrogen atom is a factor α−2 ≈ 20000 times the size of an elec- tron. Another way of looking at α is to consider the ratio of the orbital speed of ...

  4. EXAFS analysis of iron cycling in mangrove sediments downstream a lateritized ultramafic watershed (Vavouto Bay, New Caledonia)

    Science.gov (United States)

    Noël, Vincent; Marchand, Cyril; Juillot, Farid; Ona-Nguema, Georges; Viollier, Eric; Marakovic, Gregory; Olivi, Luca; Delbes, Ludovic; Gelebart, Frédéric; Morin, Guillaume

    2014-07-01

    Mangrove forests are the dominant intertidal ecosystem of tropical coastlines. In New Caledonia, mangroves act as a buffer zone between massive Fe lateritic deposits and a lagoon partly registered by UNESCO as a World Heritage site. The New Caledonian mangroves are characterized by a botanical gradient composed of three main vegetal stands (i.e., Rhizophora spp., Avicennia marina and salt flat), which relies on the duration of tidal immersion that imposes gradients of pore-water salinity, oxygenation, and organic content in the sediment. In the present study, we have determined the distribution and speciation of Fe in mangrove sediments along this botanical gradient by using X-ray absorption spectroscopy (XAS) at the Fe K-edge. Both XANES and EXAFS results show that iron speciation strongly follows the redox boundaries marking the intertidal and depth zonations. Fe-bearing minerals eroded from lateritic outcrops, mainly goethite (α-FeOOH) and phyllosilicates (serpentine and talc), are the major Fe hosts in the upward horizons. These mineral species progressively disappear with increasing depth where pyrite (FeS2) forms, in the hydromorphic Rhizophora and Avicennia zones. Sulfate reduction is not observed in the drier salt flat zone. In addition to these reduction processes, intense re-oxidation of aqueous Fe(II) and pyrite leads to the formation of poorly ordered ferrihydrite, lepidocrocite (γ-FeOOH) and likely goethite in the upper sediments beneath Avicennia and Rhizophora stands. The relative proportion of the newly formed poorly ordered ferrihydrite and lepidocrocite is found to be higher in the Rhizophora mangrove stand, which is the closest to the shore. Tidal fluctuations may thus be a major cause for continuous Fe reduction-oxidation cycles in the vegetated mangrove stands, which could significantly affect the iron mass balance in mangrove systems.

  5. Molybdenum reduction in a sulfidic lake: Evidence from X-ray absorption fine-structure spectroscopy and implications for the Mo paleoproxy

    DEFF Research Database (Denmark)

    Dahl, T. W.; Chappaz, A.; Fitts, J. P.

    2013-01-01

    contain Mo(IV)-S compounds that, when oxidized upon air-exposure, are transformed into Mo(VI)-O, thus confirming our results. This observation is important to better understand the Mo burial pathway from oxic waters to euxinic sediments. Our results support a model where post-thiomolybdate Mo VI reduction...... proceeds via reactions with zero-valent sulfur, S(0) (mainly S-8, Vorlicek et al., 2004). In this model, Mo is scavenged from sulfidic waters as reactive Mo-polysulfide species, Mo(IV)O(S-4)S2- or Mo(IV)S(S-4)S2-,and not as thiomolybdate (MoOS32 or MoS42) as has been previously assumed. This result can...... have important implications for how paleoenvironmental redox conditions are inferred from sedimentary Mo enrichments, Mo/TOC ratios, and delta Mo-98, if the Mo accumulation rate is accelerated via the S-8-assisted pathway in settings where partial oxidation of S is possible. For example, euxinic Mo...

  6. Synthesis of 1 nm Pd Nanoparticles in a Microfluidic Reactor: Insights from in Situ X ray Absorption Fine Structure Spectroscopy and Small-Angle X ray Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Karim, Ayman M.; Al Hasan, Naila M.; Ivanov, Sergei A.; Siefert, Soenke; Kelly, Ryan T.; Hallfors, Nicholas G.; Benavidez, Angelica D.; Kovarik, Libor; Jenkins, Aaron; Winans, R. E.; Datye, Abhaya K.

    2015-06-11

    In this paper we show that the temporal separation of nucleation and growth is not a necessary condition for the colloidal synthesis of monodisperse nanoparticles. The synthesis mechanism of Pd nanoparticles was determined by in situ XAFS and SAXS in a microfluidic reactor capable of millisecond up to an hour time resolution. The SAXS results showed two autocatalytic growth phases, a fast growth phase followed by a very slow growth phase. The steady increase in the number of particles throughout the two growth phases indicates the synthesis is limited by slow continuous nucleation. The transition from fast to slow growth was caused by rapid increase in bonding with the capping agent as shown by XAFS. Based on this fundamental understanding of the synthesis mechanism, we show that 1 nm monodisperse Pd nanoparticles can be synthesized at low temperature using a strong binding capping agent such as trioctylphosphine (TOP).

  7. Calibration of the fine-structure constant of graphene by time-dependent density-functional theory

    Science.gov (United States)

    Sindona, A.; Pisarra, M.; Vacacela Gomez, C.; Riccardi, P.; Falcone, G.; Bellucci, S.

    2017-11-01

    One of the amazing properties of graphene is the ultrarelativistic behavior of its loosely bound electrons, mimicking massless fermions that move with a constant velocity, inversely proportional to a fine-structure constant αg of the order of unity. The effective interaction between these quasiparticles is, however, better controlled by the coupling parameter αg*=αg/ɛ , which accounts for the dynamic screening due to the complex permittivity ɛ of the many-valence electron system. This concept was introduced in a couple of previous studies [Reed et al., Science 330, 805 (2010) and Gan et al., Phys. Rev. B 93, 195150 (2016)], where inelastic x-ray scattering measurements on crystal graphite were converted into an experimentally derived form of αg* for graphene, over an energy-momentum region on the eV Å -1 scale. Here, an accurate theoretical framework is provided for αg*, using time-dependent density-functional theory in the random-phase approximation, with a cutoff in the interaction between excited electrons in graphene, which translates to an effective interlayer interaction in graphite. The predictions of the approach are in excellent agreement with the above-mentioned measurements, suggesting a calibration method to substantially improve the experimental derivation of αg*, which tends to a static limiting value of ˜0.14 . Thus, the ab initio calibration procedure outlined demonstrates the accuracy of perturbation expansion treatments for the two-dimensional gas of massless Dirac fermions in graphene, in parallel with quantum electrodynamics.

  8. Fine structure of carcinosarcoma cells and peritoneal macrophages activated by photodynamic therapy during their interaction in vivo

    Science.gov (United States)

    Dima, Vasile F.; Ionescu, Mircea D.; Vasiliu, Virgil V.; Coman, Niculina; Dima, Stefan V.

    1996-12-01

    The interaction of the photodynamic therapy activated macrophages (PDT-AM0) of the host and rat Walker-256 carcinosarcoma target cells (ascitic form) was investigated. The periotoneal macrophages were sensitized with different concentrations of Photofrin II (0.1 to 12 (mu) g/2.5 multiplied by 106 cells) and irradiated with He-Ne laser (632.8 nm; 10 mW) at different dose fluences varying between 1.5 and 15 kJ/m2. The degree of macrophage activation by PDT was estimated by means of the following parameters: (1) in vitro assay of cytotoxic and cytostatic activities and (2) observation at the electron microscopy. The results obtained indicate the following: (1) the highest rate of cytotoxic activity against Walker-256 (39.7%) and K562 (21.6%) cells was found in Photofrin II sensitized with 0.8 mg and exposure to He-Ne laser irradiation (3.0 kJ/m2): (2) the cytostatic activity of PDT-AM0 was higher against murine Walker-256 (54.7%) and lower on human K562 (28.1%) cells, in comparison with normal macrophages (NM0); (3) during interaction of PDT-AM0 in peritoneal cavity, the tumor cells were accompanied by strong changes in nuclear and cytoplasmic fine structure. Summing up, in photobioactivated macrophages by PDT some functional activities (cytotoxic, cytostatic and phagocytosis) were enhanced and induced ultrastructural changes in Walker-256 ascites carcinosarcoma cells by their interaction 'in vivo.'

  9. Observational study on the fine structure and dynamics of a solar jet. II. Energy release process revealed by spectral analysis

    Science.gov (United States)

    Sakaue, Takahito; Tei, Akiko; Asai, Ayumi; Ueno, Satoru; Ichimoto, Kiyoshi; Shibata, Kazunari

    2018-01-01

    We report on a solar jet phenomenon associated with the C5.4 class flare on 2014 November 11. The data of the jet was provided by the Solar Dynamics Observatory, the X-Ray Telescope (XRT) aboard Hinode, and the Interface Region Imaging Spectrograph and Domeless Solar Telescope (DST) at Hida Observatory, Kyoto University. These plentiful data enabled us to present this series of papers to discuss all the processes of the observed phenomena, including energy storage, event trigger, and energy release. In this paper, we focus on the energy release process of the observed jet, and mainly describe our spectral analysis on the Hα data of DST to investigate the internal structure of the Hα jet and its temporal evolution. This analysis reveals that in the physical quantity distributions of the Hα jet, such as line-of-sight velocity and optical thickness, there is a significant gradient in the direction crossing the jet. We interpret this internal structure as the consequence of the migration of the energy release site, based on the idea of ubiquitous reconnection. Moreover, by measuring the horizontal flow of the fine structures in the jet, we succeeded in deriving the three-dimensional velocity field and the line-of-sight acceleration field of the Hα jet. The analysis result indicates that part of the ejecta in the Hα jet experienced additional acceleration after it had been ejected from the lower atmosphere. This secondary acceleration was found to occur in the vicinity of the intersection between the trajectories of the Hα jet and the X-ray jet observed by Hinode/XRT. We propose that a fundamental cause of this phenomenon is magnetic reconnection involving the plasmoid in the observed jet.

  10. EXAFS studies of lanthanide coordination in crystalline phosphates and amorphous phytates

    Energy Technology Data Exchange (ETDEWEB)

    Morss, L.R.; Schmidt, M.A.J.; Nash, K.L. [and others

    1995-12-31

    As part of the DOE Efficient Separations and Processing Integrated Program, techniques are being developed to stabilize radioactive and hazardous contaminants to prevent their migration from buried wastes. This report is part of a study to immobilize actinide ions in the near-surface environment by reacting them with organophosphorus complexants that decompose to phosphates. Nd and Gd ions were used as models for Pu, Am, and Cm ions; phytic acid was used as the complexant. Solid Nd and Gd phytates were prepared and the coordination characterized by EXAFS.

  11. Iron and zinc complexation in wild-type and ferritin-expressing wheat grain: implications for mineral transport into developing grain

    DEFF Research Database (Denmark)

    Neal, Andrew L; Geraki, Kalotina; Borg, Søren

    2013-01-01

    We have used synchrotron-based X-ray fluorescence and absorption techniques to establish both metal distribution and complexation in mature wheat grains. In planta, extended X-ray absorption fine structure (EXAFS) spectroscopy reveals iron phytate and zinc phytate structures in aleurone cells and...

  12. Active Ti Species in TiCl3-Doped NaAlH4. Mechanism for Catalyst Deactivation

    NARCIS (Netherlands)

    Balde, C.P.; Stil, H.A.; van der Eerden, A.M.J.; de Jong, K.P.; Bitter, J.H.

    2007-01-01

    The nature of the active Ti species in TiCl3-doped NaAlH4, a promising hydrogen storage material, was studied as a function of the desorption temperature with Ti K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, Ti K-edge X-ray absorption near-edge structure (XANES) spectroscopy,

  13. Design, fabrication and testing of elliptical crystal bender for the ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Centre for Design and Manufacture, Bhabha Atomic. Research Centre, Mumbai 400 085, India e-mail: dibyendu@magnum.barc.ernet.in. MS received 1 December 2003; revised 4 June 2004. Abstract. An extended X-ray absorption fine structure (EXAFS) beam-line for. X-ray absorption studies using energy dispersive ...

  14. The structures of T6, T3R3 and R6 bovine insulin: combining X-ray diffraction and absorption spectroscopy

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Knudsen, Marianne Vad; Noren, Katarina

    2012-01-01

    B1 were observed in the R6 insulin structure, resulting in an eightfold doubling of the unit-cell volume upon cooling. The zinc coordination in each conformation was studied by X-ray absorption spectroscopy (XAS), including both EXAFS and XANES. Zinc adopts a tetrahedral coordination in all R3 sites...

  15. Multiple Scattering Analysis of Cu - K EXAFS in Bi2Sr1.5 Cu2O8+δ

    International Nuclear Information System (INIS)

    Roehler, J.; Cruesemann, R.

    1995-01-01

    We have analyzed the Cu K-EXAFS of Bi 2 Sr 1.5 Ca 1.5 Cu 2 O 8+δ using a full multiple scattering analysis in a cluster with diameter d∼ 7.6 A. The layered structure has numerous quasi one-dimensional structural elements which give rise to significant multiple scattering contributions in the EXAFS. We confirm the Sr/Ca ratio of the sample is 1:1, and one Ca atom is located close to a nominal Sr-site. At 40 K the dimpling angle in the CuO 2 -plane is found to be ≤ 3.5 . (author)

  16. X-ray powder diffraction and EXAFS studies on SnAPO-5 and Cu : SnAPO-5

    DEFF Research Database (Denmark)

    Flavell, W. R.; Nicholson, D. G.; Nilsen, M. H.

    2001-01-01

    to the tetrahedral faces. Based on crystal chemical considerations it is suggested that tin is five-coordinate in a trigonal bipyramid with its second axial corner protruding into the extra-framework area. For the copper-incorporated material, Cu : SnAPO-5, EXAFS shows that the copper environment is tetragonally...... distorted octahedral. Powder diffraction confirms an extra-framework disordered square-planar copper-coordination connected to two framework oxygens by longer axial bonds. EXAFS results of calcined Cu : SnAPO-5 show that copper is sited near the tin sites in the framework....

  17. An EXAFS and TRLFS study of the sorption of trivalent actinides onto smectite and kaolinite

    International Nuclear Information System (INIS)

    Stumpf, Th.; Hennig, C.; Bauer, A.; Denecke, M.A.; Fanghaenel, Th.

    2004-01-01

    The structure parameters of the Am 3+ aquo ion and of Am(III) sorbed onto smectite and kaolinite at varying pH are analyzed using EXAFS. An Am-O distance of 2.47-2.49 Aa is found and a coordination number of 8-9 oxygen atoms is observed for the Am 3+ and its hydration sphere. Combined TRLFS (Cm(III)) and EXAFS (Am(III)) results show that An(III) sorbs onto smectite at pH 4, forming an outer-sphere complex and retains its complete primary hydration sphere. With increasing pH, inner-sphere sorption onto smectite and kaolinite occurs. The overall number of oxygen atoms coordinating the actinide ion remains about the same at pH 6, with four water molecules being replaced by oxygen atoms from the mineral surface during inner-sphere complex formation. The coordination number of sorbed Am(III) at pH 8 exhibits an apparent decrease, which may be affected by the formation of ternary OH - /Am/clay mineral surface species. (orig.)

  18. Fine structure and ionization energy of the 1s2s2p 4P state of the helium negative ion He-.

    Science.gov (United States)

    Wang, Liming; Li, Chun; Yan, Zong-Chao; Drake, G W F

    2014-12-31

    The fine structure and ionization energy of the 1s2s2p (4)P state of the helium negative ion He(-) are calculated in Hylleraas coordinates, including relativistic and QED corrections up to O(α(4)mc(2)), O((μ/M)α(4)mc(2)), O(α(5)mc(2)), and O((μ/M)α(5)mc(2)). Higher order corrections are estimated for the ionization energy. A comparison is made with other calculations and experiments. We find that the present results for the fine structure splittings agree with experiment very well. However, the calculated ionization energy deviates from the experimental result by about 1 standard deviation. The estimated theoretical uncertainty in the ionization energy is much less than the experimental accuracy.

  19. Ultrasonic absorption

    International Nuclear Information System (INIS)

    Beyer, R.T.

    1985-01-01

    The paper reviews studies of ultrasonic absorption in liquid alkali metals. The experimental methods to measure the absorption coefficients are briefly described. Experimental results reported for the liquid metals: sodium, potassium, rubidium and caesium, at medium temperatures, are presented, as well as data for liquid alloys. Absorption losses due to the presence of an external magnetic field, and the effects of viscosity on the absorption in metals, are both discussed. (U.K.)

  20. Analysis for positions of Sn atoms in epitaxial Ge{sub 1−x}Sn{sub x} film in low temperature depositions

    Energy Technology Data Exchange (ETDEWEB)

    Kamiyama, Eiji, E-mail: ejkamiyama@aol.com [Dept. of Comm. Eng., Okayama Pref. Univ., 111 Kuboki, Soja, Okayama 719-1197 (Japan); Sueoka, Koji [Dept. of Comm. Eng., Okayama Pref. Univ., 111 Kuboki, Soja, Okayama 719-1197 (Japan); Nakatsuka, Osamu; Taoka, Noriyuki; Zaima, Shigeaki [Dept. of Cryst. Mat. Sci., Grad. School of Eng., Nagoya Univ., Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Izunome, Koji; Kashima, Kazuhiko [Technology, GlobalWafers Japan Corp. Ltd, 6-861-5 Higashiko, Seiro, Niigata 957-0197 (Japan)

    2014-04-30

    We investigated the position of Sn atoms in Ge{sub 1−x}Sn{sub x} film grown at a low temperature by using the Extended X-ray Absorption Fine Structure (EXAFS) method. Vacancies had been expected to be introduced near the growing surface vicinity of a Sn atom and located at a split-vacancy position due to the binding nature between a Sn atom and a vacancy, which was predicted by the calculation for a bulk model in the literature. However, the EXAFS showed that almost all Sn atoms were located at the substitutional position and did not form a split-vacancy. - Highlights: • Extended X-ray Absorption Fine Structure (EXAFS) study of epitaxial Ge{sub 1−x}Snx film • EXAFS shows that almost all Sn atoms are located at substitutional positions. • The amount of vacancies introduced in low-temperature epitaxial growth is small.

  1. Effects of aspirin on distortion product fine structure: interpreted by the two-source model for distortion product otoacoustic emissions generation.

    Science.gov (United States)

    Rao, Aparna; Long, Glenis R

    2011-02-01

    Distortion product otoacoustic emission (DPOAE) fine structure is due to the interaction of two major components coming from different places in the cochlea. One component is generated from the region of maximal overlap of the traveling waves generated by the two primaries and is attributed to nonlinear distortion (nonlinear component). The other component arises predominantly from the tonotopic region of the distortion product and is attributed to linear coherent reflection (reflection component). Aspirin (salicylate) ototoxicity can cause reversible hearing loss and reduces otoacoustic emission generation in the cochlea. The two components are expected to be affected differentially by cochlear health. Changes in DPOAE fine structure were recorded longitudinally in three subjects before, during, and after aspirin consumption. Full data sets were analyzed for two subjects, but only partial data could be analyzed from the third subject. Resulting changes in the two components of DPOAE fine structure revealed variability among subjects and differential effects on the two components. For low-intensity primaries, both components were reduced with the reflection component being more vulnerable. For high-intensity primaries, the nonlinear component showed little or no change, but the reflection component was always reduced.

  2. (1,3;1,4)-β-Glucan Biosynthesis by the CSLF6 Enzyme: Position and Flexibility of Catalytic Residues Influence Product Fine Structure.

    Science.gov (United States)

    Dimitroff, George; Little, Alan; Lahnstein, Jelle; Schwerdt, Julian G; Srivastava, Vaibhav; Bulone, Vincent; Burton, Rachel A; Fincher, Geoffrey B

    2016-04-05

    Cellulose synthase-like F6 (CslF6) genes encode polysaccharide synthases responsible for (1,3;1,4)-β-glucan biosynthesis in cereal grains. However, it is not clear how both (1,3)- and (1,4)-linkages are incorporated into a single polysaccharide chain and how the frequency and arrangement of the two linkage types that define the fine structure of the polysaccharide are controlled. Through transient expression in Nicotiana benthamiana leaves, two CSLF6 orthologs from different cereal species were shown to mediate the synthesis of (1,3;1,4)-β-glucans with very different fine structures. Chimeric cDNA constructs with interchanged sections of the barley and sorghum CslF6 genes were developed to identify regions of the synthase enzyme responsible for these differences. A single amino acid residue upstream of the TED motif in the catalytic region was shown to dramatically change the fine structure of the polysaccharide produced. The structural basis of this effect can be rationalized by reference to a homology model of the enzyme and appears to be related to the position and flexibility of the TED motif in the active site of the enzyme. The region and amino acid residue identified provide opportunities to manipulate the solubility of (1,3;1,4)-β-glucan in grains and vegetative tissues of the grasses and, in particular, to enhance the solubility of dietary fibers that are beneficial to human health.

  3. Valence selective DAFS measurements of Mn in La{sub 1/3}Ca{sub 2/3}MnO{sub 3}[Diffraction Anomalous Fine-Structure

    Energy Technology Data Exchange (ETDEWEB)

    Ravel, B.; Grenier, S.; Renevier, H. [CNRS, Lab. de Cristalographie, Grenoble (France); Eom, C.B. [Duke Univ., Dept. of Mech. Engineering and Mat. Sci., Durham, NC (United States)

    2001-03-01

    The manganese perovskite system La{sub 1-x}Ca{sub x}MnO{sub 3} displays a complex phase diagram of structural, magnetic, and transport properties with varying Ca concentration. At x = 2/3 and at low temperature, the system is antiferromagnetic with Mn{sup 4+} and Mn{sup 3+} ions occupying special positions in a charge-ordered supper lattice. The charge ordering transition at about 260 K is characterized by the appearance of satellite peaks around certain strong normal lattice reflections. The normal lattice reflections are due to scattering from planes containing Mn{sup 4+} and Mn{sup 3+} ions in nearly stoichiometric proportion, however the superlattice reflections are due to scattering from planes containing only Mn{sup 4+} ions. By measuring Diffraction Anomalous Fine-Structure spectra on a superlattice reflection and its associated normal lattice reflection, it is possible to isolate absorption-like spectra for the two Mn sites. Due to the weak intensity of these superlattice reflections, we were unable to obtain high quality near-edge spectra for the superlattice reflection measured. However, the data offer useful information about the local electronic structures of the two Mn ions. (au)

  4. Spatial structure determination of ({radical}3 x {radical}3)R30{degrees} and (1.5 x 1.5)R18{degrees}CO on Cu(111) using angle-resolved photoemission extended fine structure

    Energy Technology Data Exchange (ETDEWEB)

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The authors report a study of the spatial structure of ({radical}3 x {radical}3)R30{degrees} (low coverage) and (1.5 x 1.5)R18{degrees} (intermediate coverage) CO adsorbed on Cu(111), using the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) technique at beamline 9.3.2 at the Advanced Light Source. The CO molecule adsorbs on an atop site for both adsorption phases. Full multiple-scattering spherical-wave (MSSW) calculations were used to extract the C-Cu. bond length and the first Cu-Cu layer spacing for each adsorption phase. The authors find that the C-Cu bond length remains unchanged with increasing coverage, but the 1st Cu-Cu layer spacing contracts at the intermediate coverage. They calculate the bending mode force constant in the (1.5 x 1.5)R18{degrees} phase to be K{sub {delta}} = 2.2 (1) x 10{sup {minus}12} dyne-cm/rad from their experimentally determined bond lengths combined with previously published infra-red absorption frequencies.

  5. Mn K-edge X-ray absorption studies of oxo- and hydroxo-manganese(IV) complexes: experimental and theoretical insights into pre-edge properties.

    Science.gov (United States)

    Leto, Domenick F; Jackson, Timothy A

    2014-06-16

    Mn K-edge X-ray absorption spectroscopy (XAS) was used to gain insights into the geometric and electronic structures of [Mn(II)(Cl)2(Me2EBC)], [Mn(IV)(OH)2(Me2EBC)](2+), and [Mn(IV)(O)(OH)(Me2EBC)](+), which are all supported by the tetradentate, macrocyclic Me2EBC ligand (Me2EBC = 4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane). Analysis of extended X-ray absorption fine structure (EXAFS) data for [Mn(IV)(O)(OH)(Me2EBC)](+) revealed Mn-O scatterers at 1.71 and 1.84 Å and Mn-N scatterers at 2.11 Å, providing the first unambiguous support for the formulation of this species as an oxohydroxomanganese(IV) adduct. EXAFS-determined structural parameters for [Mn(II)(Cl)2(Me2EBC)] and [Mn(IV)(OH)2(Me2EBC)](2+) are consistent with previously reported crystal structures. The Mn pre-edge energies and intensities of these complexes were examined within the context of data for other oxo- and hydroxomanganese(IV) adducts, and time-dependent density functional theory (TD-DFT) computations were used to predict pre-edge properties for all compounds considered. This combined experimental and computational analysis revealed a correlation between the Mn-O(H) distances and pre-edge peak areas of Mn(IV)═O and Mn(IV)-OH complexes, but this trend was strongly modulated by the Mn(IV) coordination geometry. Mn 3d-4p mixing, which primarily accounts for the pre-edge intensities, is not solely a function of the Mn-O(H) bond length; the coordination geometry also has a large effect on the distribution of pre-edge intensity. For tetragonal Mn(IV)═O centers, more than 90% of the pre-edge intensity comes from excitations to the Mn═O σ* MO. Trigonal bipyramidal oxomanganese(IV) centers likewise feature excitations to the Mn═O σ* molecular orbital (MO) but also show intense transitions to 3dx(2)-y(2) and 3dxy MOs because of enhanced 3d-4px,y mixing. This gives rise to a broader pre-edge feature for trigonal Mn(IV)═O adducts. These results underscore the importance of

  6. The Structure of a Rhodium/Titania Catalyst in the Strong Metal-Support Interaction State as Determined by EXAFS

    NARCIS (Netherlands)

    Koningsberger, D.C.; Martens, J.H.A.; prins, R.; Short, D.R.; Sayers, D.E.

    1986-01-01

    Reduction of a highly dispersed 2.85 wt % Rh/Ti02 catalyst at 473 K after previous calcination at 623 K resulted in EXAFS whose primary contributions are due to nearest rhodium (average coordination number of 3.1 and distance of 2.67 A) and oxygen neiphbors (coordination 2.5 and distance 2.71 A).

  7. EXAFS study of LaMn.sub.1-x./sub.Co.sub.x./sub.O.sub.3./sub. compounds

    Czech Academy of Sciences Publication Activity Database

    Procházka, V.; Kapusta, Cz.; Sikora, M.; Zajac, D.; Knížek, Karel; Jirák, Zdeněk; Štěpánková, H.

    2007-01-01

    Roč. 310, - (2007), c197-c199 ISSN 0304-8853 R&D Projects: GA ČR GA202/06/0051 Institutional research plan: CEZ:AV0Z10100521 Keywords : cobaltites * manganites * FEFF * EXAFS * perovskites Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.704, year: 2007

  8. Structure of [Ru(bpy)n(AP)(6-2n)]2+ homogeneous complexes: DFT calculation vs. EXAFS

    International Nuclear Information System (INIS)

    Salassa, Luca; Sadler, Peter J; Gianolio, Diego; Garino, Claudio; Salassa, Giovanni; Borfecchia, Elisa; Ruiu, Tiziana; Nervi, Carlo; Gobetto, Roberto; Lamberti, Carlo; Bizzarri, Ranieri

    2009-01-01

    We used EXAFS and DFT calculations to investigate the structure of [Ru(bpy)(AP) 4 ] 2+ and [Ru(bpy) 2 (AP) 2 ] 2+ (bpy=2-2'-bipyridyne, AP=4-aminopyridyne) in aqueous solution (10 mM). These derivatives are of potential interest since, upon direct irradiation, they can form reactive aqua-species able to bind to macromolecules. An attempt has been made to determine with EXAFS the structure of the photodissociation product of the [Ru(bpy) 2 (AP) 2 ] 2+ complex, where a water molecule fill the coordination vacancy left by an AP ligand resulting in [Ru(bpy) 2 (AP)(H 2 O)] 2+ . Unfortunately, co-presence in the experimental sample of both original and photodissociated complexes, causes the failure of the analysis. This failure was due to the structural complexity of both systems and to the similarity in their EXAFS signals. This work underlines the potentialities and the limits of EXAFS spectroscopy when dealing with highly diluted samples where the local environment of the adsorbing atom is characterized by structured ligands: the local environment of Ru is correctly reproduced when dealing with homogeneous samples, while the co-presence of two or more different species makes the data analysis highly critical.

  9. A study on the structures of hemoglobin of diabetic patients by EXAFS technique

    International Nuclear Information System (INIS)

    Wang Yinsong; Tan Mingguang; Zhang Guilin

    2001-01-01

    Hemoglobin was the carrier of oxygen in blood circulation. For the patients with diabetes mellitus the enhancement of glycidate hemoglobin in blood causes the decrease of oxygen transmission function. The local atomic structures of iron in hemoglobin were determined by EXAFS techniques. The relationship between diabetes mellitus and hemoglobin structures was observed. The blood samples were taken from normal people, slight and serious diabetic patients. The results show that the coordination number of iron atoms and Fe-O bond length were almost the same for the three samples. However, for the samples of serious diabetic patients the Fe-N bond length increases by about 0.002 nm, the possible reasons were the increase of deoxyhemoglobin contents in their blood

  10. EXAFS Phase Retrieval Solution Tracking for Complex Multi-Component System: Synthesized Topological Inverse Computation

    International Nuclear Information System (INIS)

    Lee, Jay Min; Yang, Dong-Seok; Bunker, Grant B

    2013-01-01

    Using the FEFF kernel A(k,r), we describe the inverse computation from χ(k)-data to g(r)-solution in terms of a singularity regularization method based on complete Bayesian statistics process. In this work, we topologically decompose the system-matched invariant projection operators into two distinct types, (A + AA + A) and (AA + AA + ), and achieved Synthesized Topological Inversion Computation (STIC), by employing a 12-operator-closed-loop emulator of the symplectic transformation. This leads to a numerically self-consistent solution as the optimal near-singular regularization parameters are sought, dramatically suppressing instability problems connected with finite precision arithmetic in ill-posed systems. By statistically correlating a pair of measured data, it was feasible to compute an optimal EXAFS phase retrieval solution expressed in terms of the complex-valued χ(k), and this approach was successfully used to determine the optimal g(r) for a complex multi-component system.

  11. Characterization of mercury based Indian herbomineral drug by radioisotope induced EDXRF and synchrotron based EXAFS

    International Nuclear Information System (INIS)

    Joseph, Daisy; Saxena, A.; Joseph, Rajeeta; Rajput, P.; Nayak, C.; Bhattacharya, D.; Jha, S.N.; Natrajan, V.

    2014-01-01

    An Indian herbomineral drug was characterized for its trace elements by radioisotope induced EDXRF. The drug contains minerals like mercury, sulfur and arsenic disulfide, along with herbs such as dhaturra, bhrami, vacha etc. All the above ingredients were processed together in a step wise manner (6 steps). Hence the motive was to expect some change in the drug molecule at every step of processing it. The 6 samples are the samples collected at every step of drug preparation. These 6 samples which are collected as intermediatary samples would be then evaluated for its role in various neuropsychological (psychosis, depression etc) disorders in experimental animals such as rats/mice. Hence it was required to find the elements/trace elements composition, details of chemical components present in the drug samples. It was seen that using EDXRF it was possible to determine As and Hg. The EXAFS results also showed the presence of As in their sulphide form. (author)

  12. The double-well oscillating potential of oxygen atoms in perovskite system Ba(K)BiO sub 3 : EXAFS - analysis results

    CERN Document Server

    Menushenkov, A P; Konarev, P V; Meshkov, A A; Benazeth, S; Purans, J

    2000-01-01

    Temperature-dependent X-ray absorption investigations were made on the Bi L sub 3 -edge in Ba sub 1 sub - sub x K sub x BiO sub 3 with x=0.0, 0.4 and 0.5. For the superconducting samples (x=0.4 and 0.5) it has been found that the local structure differs from the ideal cubic in contrast to the neutron and X-ray diffraction data. The provided analysis of the EXAFS spectra indicates that the oxygen atoms move in double-well potential produced by the existence of two non-equivalent octahedral types of the oxygen environment of bismuth. The vibrations in such a potential lead to modulations of the Bi-O lengths with low frequency which is determined by the soft oxygen octahedron rotation mode frequency. This induces strong electron-phonon interaction and may be the reason for relatively high-temperature transition (T sub c approx 30 K) to the superconducting state.

  13. Combining Sequential Extractions and X-ray Absorption Spectroscopy for Quantitative and Qualitative Zinc Speciation in Soil

    Science.gov (United States)

    Bauer, Tatiana; Minkina, Tatiana; Batukaev, Abdulmalik; Nevidomskaya, Dina; Burachevskaya, Marina; Tsitsuashvili, Viktoriya; Urazgildieva, Kamilya

    2017-04-01

    The combined use of X-ray absorption spectrometry and extractive fractionation is an effective approach for studying the interaction of metal ions with soil compounds and identifying the phases-carriers of metals in soil and their stable fixation. These studies were carried out using the technique of X-ray absorption spectroscopy and chemical extractive fractionation. In a model experiment the samples taken in Calcic Chernozem were artificially contaminated with higher portion of Zn(NO3)2 (2000 mg/kg). The metal were incubated in soil samples for 2 year. The samples of soil mineral and organic phases (calcite, kaolinite, bentonite, humic acids) were saturated with Zn2+ from a solution of nitrate salts of metal. The total content of Zn in soil and soil various phases was determined using the X-ray fluorescence method. Extended X-ray absorption fine structure (EXAFS) Zn was measured at the Structural Materials Science beamline of the Kurchatov Center for Synchrotron Radiation. Sequential fractionation of Zn in soil conducted by Tessier method (Tessier et al., 1979) which determining 5 fractions of metals in soil: exchangeable, bound to Fe-Mn oxide, bound to carbonate, bound to the organic matter, and bound to silicate (residual). This methodology has so far more than 4000 citations (Web of Science), which demonstrates the popularity of this approach. Much Zn compounds are contained in uncontaminated soils in stable primary and secondary silicates inherited from the parental rocks (67% of the total concentrations in all fractions), which is a regional trait of soils in the fore-Caucasian plain. Extracted fractionation of metal compounds in soil samples, artificially contaminated with Zn salts, indicates the priority holding of Zn2+ ions by silicates, carbonates and Fe-Mn oxides. The Zn content significantly increases in the exchangeable fraction. Atomic structure study of the soil various phases saturated with Zn2+ ion by using (XANES) X-ray absorption spectroscopy

  14. Absorption studies

    International Nuclear Information System (INIS)

    Ganatra, R.D.

    1992-01-01

    Absorption studies were once quite popular but hardly anyone does them these days. It is easier to estimate the blood level of the nutrient directly by radioimmunoassay (RIA). However, the information obtained by estimating the blood levels of the nutrients is not the same that can be obtained from the absorption studies. Absorption studies are primarily done to find out whether some of the essential nutrients are absorbed from the gut or not and if they are absorbed, to determine how much is being absorbed. In the advanced countries, these tests were mostly done to detect pernicious anaemia where vitamin B 12 is not absorbed because of the lack of the intrinsic factor in the stomach. In the tropical countries, ''malabsorption syndrome'' is quire common. In this condition, several nutrients like fat, folic acid and vitamin B 12 are not absorbed. It is possible to study absorption of these nutrients by radioisotopic absorption studies

  15. X-ray absorption anisotropy for polychromatic illumination-Crystal views from inside

    International Nuclear Information System (INIS)

    Korecki, P.; Tolkiehn, M.; Novikov, D.V.

    2009-01-01

    We review an atomic resolution imaging method based on the analysis of the fine structure in X-ray absorption anisotropy, which results from incident beam diffraction. For a polychromatic X-ray beam, due to the suppression of higher order diffraction fringes, X-ray absorption anisotropy patterns can be interpreted as distorted real-space projections of the atomic structure around absorbing atoms. A qualitative method for analysis of X-ray absorption anisotropy patterns is presented, based on modeling of X-ray patterns with ray-traced images calculated for clusters around absorbing atoms.

  16. Folate absorption

    International Nuclear Information System (INIS)

    Baker, S.J.

    1976-01-01

    Folate is the generic term given to numerous compounds of pteroic acid with glutamic acid. Knowledge of absorption is limited because of the complexities introduced by the variety of compounds and because of the inadequacy of investigational methods. Two assay methods are in use, namely microbiological and radioactive. Techniques used to study absorption include measurement of urinary excretion, serum concentration, faecal excretion, intestinal perfusion, and haematological response. It is probably necessary to test absorption of both pteroylmonoglutamic acid and one or more polyglutamates, and such tests would be facilitated by availability of synthesized compounds labelled with radioactive tracers at specifically selected sites. (author)

  17. The time-resolved and extreme conditions XAS (TEXAS) facility at the European Synchrotron Radiation Facility: the general-purpose EXAFS bending-magnet beamline BM23.

    Science.gov (United States)

    Mathon, O; Beteva, A; Borrel, J; Bugnazet, D; Gatla, S; Hino, R; Kantor, I; Mairs, T; Munoz, M; Pasternak, S; Perrin, F; Pascarelli, S

    2015-11-01

    BM23 is the general-purpose EXAFS bending-magnet beamline at the ESRF, replacing the former BM29 beamline in the framework of the ESRF upgrade. Its mission is to serve the whole XAS user community by providing access to a basic service in addition to the many specialized instruments available at the ESRF. BM23 offers high signal-to-noise ratio EXAFS in a large energy range (5-75 keV), continuous energy scanning for quick-EXAFS on the second timescale and a micro-XAS station delivering a spot size of 4 µm × 4 µm FWHM. It is a user-friendly facility featuring a high degree of automation, online EXAFS data reduction and a flexible sample environment.

  18. Detection of Propagating Fast Sausage Waves through Detailed Analysis of a Zebra-pattern Fine Structure in a Solar Radio Burst

    Science.gov (United States)

    Kaneda, K.; Misawa, H.; Iwai, K.; Masuda, S.; Tsuchiya, F.; Katoh, Y.; Obara, T.

    2018-03-01

    Various magnetohydrodynamic (MHD) waves have recently been detected in the solar corona and investigated intensively in the context of coronal heating and coronal seismology. In this Letter, we report the first detection of short-period propagating fast sausage mode waves in a metric radio spectral fine structure observed with the Assembly of Metric-band Aperture Telescope and Real-time Analysis System. Analysis of Zebra patterns (ZPs) in a type-IV burst revealed a quasi-periodic modulation in the frequency separation between the adjacent stripes of the ZPs (Δf ). The observed quasi-periodic modulation had a period of 1–2 s and exhibited a characteristic negative frequency drift with a rate of 3–8 MHz s‑1. Based on the double plasma resonance model, the most accepted generation model of ZPs, the observed quasi-periodic modulation of the ZP can be interpreted in terms of fast sausage mode waves propagating upward at phase speeds of 3000–8000 km s‑1. These results provide us with new insights for probing the fine structure of coronal loops.

  19. Fine Structure of Diffuse Scattering Rings in Al-Li-Cu Quasicrystal: A Comparative X-ray and Electron Diffraction Study

    Science.gov (United States)

    Donnadieu, P.; Dénoyer, F.

    1996-11-01

    A comparative X-ray and electron diffraction study has been performed on Al-Li-Cu icosahedral quasicrystal in order to investigate the diffuse scattering rings revealed by a previous work. Electron diffraction confirms the existence of rings but shows that the rings have a fine structure. The diffuse aspect on the X-ray diffraction patterns is then due to an averaging effect. Recent simulations based on the model of canonical cells related to the icosahedral packing give diffractions patterns in agreement with this fine structure effect. Nous comparons les diagrammes de diffraction des rayon-X et des électrons obtenus sur les mêmes échantillons du quasicristal icosaèdrique Al-Li-Cu. Notre but est d'étudier les anneaux de diffusion diffuse mis en évidence par un travail précédent. Les diagrammes de diffraction électronique confirment la présence des anneaux mais ils montrent aussi que ces anneaux possèdent une structure fine. L'aspect diffus des anneaux révélés par la diffraction des rayons X est dû à un effet de moyenne. Des simulations récentes basées sur la décomposition en cellules canoniques de l'empilement icosaédrique produisent des diagrammes de diffraction en accord avec ces effects de structure fine.

  20. Narrative absorption

    DEFF Research Database (Denmark)

    Narrative Absorption brings together research from the social sciences and Humanities to solve a number of mysteries: Most of us will have had those moments, of being totally absorbed in a book, a movie, or computer game. Typically we do not have any idea about how we ended up in such a state. Nor...... do we fully realize how we might have changed as we return for the fictional worlds we have visited. The feeling of being absorbed is one of the most illusive and transient feelings, but also one that motivates audiences to spend considerable amounts of time in narrative worlds, and one...... that is central to our understanding of the effects of narratives on beliefs and behavior. Key specialists inform the reader of this book about the nature of the peculiar state of consciousness during episodes of absorption, the perception of absorption in history, the role of absorption in meaningful experiences...

  1. Pramana – Journal of Physics | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Keywords. Energy-dispersive extended X-ray absorption fine-structure spectroscopy; beamline BL-8; Cu metal; Cu complex. ... Further, EXAFS spectra at Cu K-edge in a copper complex have also been recorded at BL-8 beamline and beamline 11.1 at ELETTRA (Italy). The obtained experimental () data have been ...

  2. High pressure and synchrotron radiation satellite workshop

    International Nuclear Information System (INIS)

    Bass, J.; Guignot, N.; Morard, G.; Mezouar, M.; Andrault, D.; Bolfan-Casanova, N.; Sturhahn, W.; Daniel, I.; Reynard, B.; Simionovici, A.; Sanchez Valle, C.; Martinez, I.; Kantor, I.; Dubrovinsky, I.; Mccammon, C.; Dubrovinskaia, N.; Kurnosiv, A.; Kuznetsov, A.; Goncharenko, I.; Loubeyre, P.; Desgreniers, S.; Weck, G.; Yoo, C.S.; Iota, V.; Park, J.; Cynn, H.; Gorelli, F.; Toulemonde, P.; Machon, D.; Merlen, A.; San Miguel, A.; Amboage, M.; Aquilanti, G.; Mathon, O.; Pascarelli, S.; Itie, J.P.; Mcmillan, P.F.; Trapananti, A.; Di Cicco, A.; Panfilis, S. de; Filipponi, A.; Kreisel, J.; Bouvier, P.; Dkhil, B.; Chaabane, B.; Rosner, H.; Koudela, D.; Schwarz, U.; Handestein, A.; Hanfland, M.; Opahle, I.; Koepernik, K.; Kuzmin, M.; Mueller, K.H.; Mydosh, J.; Richter, M.; Hejny, C.; Falconi, S.; Lundegaard, L.F.; Mcmahon, M.I; Loa, I.; Syassen, K.; Wang, X.; Roth, H.; Lorenz, T.; Farber Daniel, I.; Antonangeli Daniele, I.; Krisch, M.; Badro, J.; Fiquet, G.; Occelli, F.; Mao, W.L.; Mao, H.K.; Eng, P.; Kao, C.C.; Shu, J.F.; Hemley, R.J.; Tse, J.S.; Yao, Y.; Deen, P.P.; Paolasini, I.; Braithwaite, D.; Kernavanois, N.; Lapertot, G.; Rupprecht, K.; Leupold, O.; Ponkratz, U.; Wortmann, G.; Beraud, A.; Krisch, M.; Farber, D.; Antonangeli, D.; Aracne, C.; Zarestky, J.L.; Mcqueeney, R.; Mathon, O.; Baudelet, F.; Decremps, F.; Itie, J.P.; Nataf, I.; Pascarelli, S.; Polian, A.

    2006-01-01

    The workshop is dedicated to recent advances on science at high pressure at third generation synchrotron sources. A variety of experiments using synchrotron radiation techniques including X-ray diffraction, EXAFS (extended X-ray absorption fine structure), inelastic X-ray scattering, Compton scattering and Moessbauer spectroscopy of crystalline, liquid or amorphous samples, are reported. This document gathers the abstracts of the presentations

  3. High pressure and synchrotron radiation satellite workshop

    Energy Technology Data Exchange (ETDEWEB)

    Bass, J.; Guignot, N.; Morard, G.; Mezouar, M.; Andrault, D.; Bolfan-Casanova, N.; Sturhahn, W.; Daniel, I.; Reynard, B.; Simionovici, A.; Sanchez Valle, C.; Martinez, I.; Kantor, I.; Dubrovinsky, I.; Mccammon, C.; Dubrovinskaia, N.; Kurnosiv, A.; Kuznetsov, A.; Goncharenko, I.; Loubeyre, P.; Desgreniers, S.; Weck, G.; Yoo, C.S.; Iota, V.; Park, J.; Cynn, H.; Gorelli, F.; Toulemonde, P.; Machon, D.; Merlen, A.; San Miguel, A.; Amboage, M.; Aquilanti, G.; Mathon, O.; Pascarelli, S.; Itie, J.P.; Mcmillan, P.F.; Trapananti, A.; Di Cicco, A.; Panfilis, S. de; Filipponi, A.; Kreisel, J.; Bouvier, P.; Dkhil, B.; Chaabane, B.; Rosner, H.; Koudela, D.; Schwarz, U.; Handestein, A.; Hanfland, M.; Opahle, I.; Koepernik, K.; Kuzmin, M.; Mueller, K.H.; Mydosh, J.; Richter, M.; Hejny, C.; Falconi, S.; Lundegaard, L.F.; Mcmahon, M.I; Loa, I.; Syassen, K.; Wang, X.; Roth, H.; Lorenz, T.; Farber Daniel, I.; Antonangeli Daniele, I.; Krisch, M.; Badro, J.; Fiquet, G.; Occelli, F.; Mao, W.L.; Mao, H.K.; Eng, P.; Kao, C.C.; Shu, J.F.; Hemley, R.J.; Tse, J.S.; Yao, Y.; Deen, P.P.; Paolasini, I.; Braithwaite, D.; Kernavanois, N.; Lapertot, G.; Rupprecht, K.; Leupold, O.; Ponkratz, U.; Wortmann, G.; Beraud, A.; Krisch, M.; Farber, D.; Antonangeli, D.; Aracne, C.; Zarestky, J.L.; Mcqueeney, R.; Mathon, O.; Baudelet, F.; Decremps, F.; Itie, J.P.; Nataf, I.; Pascarelli, S.; Polian, A

    2006-07-01

    The workshop is dedicated to recent advances on science at high pressure at third generation synchrotron sources. A variety of experiments using synchrotron radiation techniques including X-ray diffraction, EXAFS (extended X-ray absorption fine structure), inelastic X-ray scattering, Compton scattering and Moessbauer spectroscopy of crystalline, liquid or amorphous samples, are reported. This document gathers the abstracts of the presentations.

  4. Arsenate Adsorption On Ruthenium Oxides: A Spectroscopic And Kinetic Investigation

    Science.gov (United States)

    Arsenate adsorption on amorphous (RuO2•1.1H2O) and crystalline (RuO2) ruthenium oxides was evaluated using spectroscopic and kinetic methods to elucidate the adsorption mechanism. Extended X-ray absorption fine structure spectroscopy (EXAFS) was ...

  5. Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins

    DEFF Research Database (Denmark)

    García Lastra, Juan Maria; Cook, P. L.; Himpsel, F. J.

    2010-01-01

    Porphyrins are widely used as dye molecules in solar cells. Knowing the energies of their frontier orbitals is crucial for optimizing the energy level structure of solar cells. We use near edge x-ray absorption fine structure (NEXAFS) spectroscopy to obtain the energy of the lowest unoccupied...

  6. Atomic structure of glassy Mg60Cu30Y10 investigated with EXAFS, x-ray and neutron diffraction, and reverse Monte Carlo simulations

    International Nuclear Information System (INIS)

    Jovari, Pal; Saksl, Karel; Pryds, Nini; Lebech, Bente; Bailey, Nicholas P.; Mellerga ring rd, Anders; Delaplane, Robert G.; Franz, Hermann

    2007-01-01

    Short range order of amorphous Mg 60 Cu 30 Y 10 was investigated by x-ray and neutron diffraction, Cu and Y K-edge x-ray absorption fine structure measurements, and the reverse Monte Carlo simulation technique. We found that Mg-Mg and Mg-Cu nearest neighbor distances are very similar to values found in crystalline Mg 2 Cu. The Cu-Y coordination number is 1.1±0.2, and the Cu-Y distance is ∼4% shorter than the sum of atomic radii, suggesting that attraction between Cu and Y plays an important role in stabilizing the glassy state. Thermal stability and structure evolution upon annealing were also studied by differential scanning calorimetry and in situ x-ray powder diffraction. The alloy shows a glass transition and three crystallization events, the first and dominant one at 456 K corresponding to eutectic crystallization of at least three phases: Mg 2 Cu and most likely cubic MgY and CuMgY

  7. EXAFS reveals two Mo environments in the nitrogenase iron-molybdenum cofactor biosynthetic protein NifQ†

    OpenAIRE

    George, Simon J.; Hernandez, Jose A.; Jimenez-Vicente, Emilio; Echavarri-Erasun, Carlos; Rubio, Luis M.

    2016-01-01

    Mo and Fe K-edge EXAFS analysis of NifQ shows the presence of a [MoFe3S4] cluster and a second independent Mo environment that includes Mo-O bonds and Mo-S bonds. Both environments are relevant to FeMo-co biosynthesis and may represent different stages of Mo biochemical transformations catalyzed by NifQ.

  8. White line structure in the x-ray Lsub(III) absorption edge of holmium

    International Nuclear Information System (INIS)

    Agarwal, B.K.; Agarwal, B.R.K.

    1978-01-01

    The white line at the Ho Lsub(III) absorption edge has been recorded in Ho metal, Ho 2 O 3 and HoCl 3 . The white line structure in Ho 2 O 3 has been analysed by regarding it as due to the transition into bound states of the Lsub(III) excited ion. The extended fine structure has been used to obtain information on the bond lengths in the compounds. (author)

  9. A study of the fine structure and light transmission in high-density polyethylene sheets from plastic factories in Jordan

    International Nuclear Information System (INIS)

    Dabayneh, K. M.

    1991-01-01

    A study of the morphology and light-transmissivity in nine commercial samples of high-density polyethylene (HDPE) sheets has been carried out. The sheets were produced by the plastic-film extrusion process in nine Jordanian plastic factories. The variations in the samples were determined in terms of crystallinity, crystallite size, heat of fusion, and melting point. X-ray diffraction, ultra violet and visible absorption spectroscopy, and differential scanning calorimetry (DSC) techniques have been used. The nine samples have relatively high x-ray crystallinity (46.1 - 60.8 %). The crystallite size are relatively large (79 - 103 angstroms). The melting point is in the temperature range 127.4 - 132.6 degrees celsius in the samples which were thermally-treated (annealed), and the heat of fusion is in the range (178.6 - 214.0 J/g) in these samples. Annealing of HDPE sheets in vacuum improved the crystallinity especially at temperatures below the melting point (a crystallinity of 73.2% was obtained at 105 degrees celsius). Samples with higher crystallinity showed better transmissivity of visible light. X-ray diffraction crystallinity reveals the variations in the morphology more sensitively than the DSC method. 38 refs., 16 figs., 12 tabs. (A.M.H.)

  10. DEVELOPMENT OF A HIGH RATE HIGH RESOLUTION DETECTOR FOR EXAFS EXPERIMENTS.

    Energy Technology Data Exchange (ETDEWEB)

    DE GERONIMO,G.; O CONNOR,P.; BEUTTENMULLER,R.H.; LI,Z.; KUCZEWSKI,A.J.; SIDDONS,D.P.

    2002-11-10

    A new detector for EXAFS experiments is being developed. It is based on a multi-element Si sensor and dedicated readout ASICs. The sensor is composed of 384 pixels, each having 1 mm{sup 2} area, arranged in four quadrants of 12 x 8 elements, and wire-bonded to 32-channel front-end ASICs. Each channel implements low noise preamplification with self-adaptive continuous reset, high order shaper, band-gap referenced baseline stabilizer, one threshold comparator and two DAC adjustable window comparators, each followed by a 24-bit counter. Fabricated in 0.35{micro}m CMOS dissipates about 8mW per channel. First measurements show at room temperature a resolution of 14 rms electrons without the detector and of 40 rms electrons (340eV) with the detector connected and biased. Cooling at -35C a FWHM of 205eV (167eV from electronics) was measured at the Mn-K{alpha} line. A resolution of about 300eV was measured for rates approaching 100kcps/cm{sup 2} per channel, corresponding to an overall rate in excess of 10MHz/cm{sup 2}. A channel-to-channel threshold dispersion after DACs adjustment of 2.5 rms electrons was also measured.

  11. Musical Sound Quality in Cochlear Implant Users: A Comparison in Bass Frequency Perception Between Fine Structure Processing and High-Definition Continuous Interleaved Sampling Strategies.

    Science.gov (United States)

    Roy, Alexis T; Carver, Courtney; Jiradejvong, Patpong; Limb, Charles J

    2015-01-01

    Med-El cochlear implant (CI) patients are typically programmed with either the fine structure processing (FSP) or high-definition continuous interleaved sampling (HDCIS) strategy. FSP is the newer-generation strategy and aims to provide more direct encoding of fine structure information compared with HDCIS. Since fine structure information is extremely important in music listening, FSP may offer improvements in musical sound quality for CI users. Despite widespread clinical use of both strategies, few studies have assessed the possible benefits in music perception for the FSP strategy. The objective of this study is to measure the differences in musical sound quality discrimination between the FSP and HDCIS strategies. Musical sound quality discrimination was measured using a previously designed evaluation, called Cochlear Implant-MUltiple Stimulus with Hidden Reference and Anchor (CI-MUSHRA). In this evaluation, participants were required to detect sound quality differences between an unaltered real-world musical stimulus and versions of the stimulus in which various amount of bass (low) frequency information was removed via a high-pass filer. Eight CI users, currently using the FSP strategy, were enrolled in this study. In the first session, participants completed the CI-MUSHRA evaluation with their FSP strategy. Patients were then programmed with the clinical-default HDCIS strategy, which they used for 2 months to allow for acclimatization. After acclimatization, each participant returned for the second session, during which they were retested with HDCIS, and then switched back to their original FSP strategy and tested acutely. Sixteen normal-hearing (NH) controls completed a CI-MUSHRA evaluation for comparison, in which NH controls listened to music samples under normal acoustic conditions, without CI stimulation. Sensitivity to high-pass filtering more closely resembled that of NH controls when CI users were programmed with the clinical-default FSP strategy

  12. EXAFS study of mercury(II) sorption to Fe- and Al-(hydr)oxides: I. Effects of pH

    Science.gov (United States)

    Kim, C.S.; Rytuba, J.J.; Brown, Gordon E.

    2004-01-01

    The study of mercury sorption products in model systems using appropriate in situ molecular-scale probes can provide detailed information on the modes of sorption at mineral/water interfaces. Such studies are essential for assessing the influence of sorption processes on the transport of Hg in contaminated natural systems. Macroscopic uptake of Hg(II) on goethite (??-FeOOH), ??-alumina (??-Al2O3), and bayerite (??-Al(OH)3) as a function of pH has been combined with Hg L III-edge EXAFS spectroscopy, FTIR spectroscopy, and bond valence analysis of possible sorption products to provide this type of information. Macroscopic uptake measurements show that Hg(II) sorbs strongly to fine-grained powders of synthetic goethite (Hg sorption density ??=0.39-0.42 ??mol/m2) and bayerite (??=0.39-0.44 ??mol/m2), while sorbing more weakly to ??-alumina (??=0.04-0.13 ??mol/m 2). EXAFS spectroscopy on the sorption samples shows that the dominant mode of Hg sorption on these phases is as monodentate and bidentate inner-sphere complexes. The mode of Hg(II) sorption to goethite was similar over the pH range 4.3-7.4, as were those of Hg(II) sorption to bayerite over the pH range 5.1-7.9. Conversion of the ??-Al2O3 sorbent to a bayerite-like phase in addition to the apparent reduction of Hg(II) to Hg(I), possibly by photoreduction during EXAFS data collection, resulted in enhanced Hg uptake from pH 5.2-7.8 and changes in the modes of sorption that correlate with the formation of the bayerite-like phase. Bond valence calculations are consistent with the sorption modes proposed from EXAFS analysis. EXAFS analysis of Hg(II) sorption products on a natural Fe oxyhydroxide precipitate and Al/Si-bearing flocculent material showed sorption products and modes of surface attachment similar to those for the model substrates, indicating that the model substrates are useful surrogates for the natural sediments. ?? 2003 Elsevier Inc. All rights reserved.

  13. Influence of electric field on fine structure of exciton complexes in CdTe/ZnTe self-assembled quantum dot

    International Nuclear Information System (INIS)

    Kowalik, K.; Kudelski, A.; Krebs, O.; Voisin, P.; Golnik, A.; Suffczynski, J.; Gaj, J.A.; Karczewski, G.; Kossut, J.

    2006-01-01

    We report on micro-photoluminescence (μ-PL) measurements of CdTe/ZnTe self-assembled quantum dots. Jumps in the line positions are observed and attributed to fluctuations of local electrostatic environment. We find that fine structures of exciton, biexciton and charged exciton originating from the same QD are correlated with line positions. We observe stronger influence of the field on the excitonic states of lower binding energy. The local field likely originates from charges localized at defects in the close vicinity of the QD, and correlations indicate that its direction is not completely random. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. Bloch oscillations of ultracold atoms and measurement of the fine structure constant; Oscillations de Bloch d'atomes ultrafroids et mesure de la constante de structure fine

    Energy Technology Data Exchange (ETDEWEB)

    Clade, P

    2005-10-15

    From a measurement of the recoil velocity of an atom absorbing a photon, it is possible to deduce a determination of the ratio h/m between the Planck constant and the mass of the atoms and then to deduce a value of the fine structure constant alpha. To do this measurement, we use the technique of Bloch oscillations, which allows us to transfer a large number of recoils to atoms. A velocity sensor, based on velocity selective Raman transition, enables us to measure the momentum transferred to the atoms. A measurement with a statistical uncertainty of 4.4 10{sup -9}, in conjunction with a careful study of systematic effects (5 10{sup -9}), has led us to a determination of alpha with an uncertainty of 6.7 10{sup -9}: {alpha}{sup -1}(Rb) = 137.03599878 (91). This uncertainty is similar to the uncertainty of the best determinations of alpha based on atom interferometry. (author)

  15. Effect of repressing of briquettes at high hydrostatic pressures on fine structure of carbide fraction in compacts and sintered BK10 alloy

    International Nuclear Information System (INIS)

    Chernyj, Yu.F.; Mikhajlenko, G.P.; Labinskaya, N.G.; Vangengeim, S.D.; Fal'kovskij, V.A.; Lavrukhina, L.I.

    1977-01-01

    The effect was studied of the repressing at high hydrostatic pressures of preforms of hard alloy powder mixture with different degree of fineness on changes in fine structure of the carbide phase of compacts and the VK10 sintered alloy. X-ray diffraction method was used. Sufficient widening of diffraction lines of the WC phase in compacts and in a sintered alloy with the increase in hydrostatic pressure testifies to the fact of the production of more inperfect carbide substructure mainly due to fragmentation subgrains. The effect of processing pressure manifests itself to a greater extent in compacts of the coarse-ground mixture; in the sintered alloy the repressing pressure effect ''is being smoothed'' to some extent. The density of dislocation in the compacts and the sintered alloy were evaluated quantatively depending on the hydrostatic pressure values during processing of preforms

  16. Stokes shift and fine structure splitting in composition-tunable Zn{sub x}Cd{sub 1−x}Se nanocrystals: Atomistic tight-binding theory

    Energy Technology Data Exchange (ETDEWEB)

    Sukkabot, Worasak, E-mail: w.sukkabot@gmail.com

    2017-02-01

    I report on the atomistic correlation of the structural properties and excitonic splitting of ternary alloy Zn{sub x}Cd{sub 1−x}Se wurtzite nanocrystals using the sp{sup 3}s* empirical tight-binding method with the description of the first nearest neighbouring interaction and bowing effect. Based on a successful model, the computations are presented under various Zn compositions (x) and diameters of alloy Zn{sub x}Cd{sub 1−x}Se nanocrystals with the experimentally synthesized compositions and sizes. With increasing Zn contents (x), the optical band gaps and electron-hole coulomb energies are improved, while ground electron-hole wave function overlaps, electron-hole exchange energies, stokes shift and fine structure splitting are reduced. A composition-tunable emission from blue to yellow wavelength is obviously demonstrated. The optical band gaps, ground electron-hole wave function overlaps, electron-hole interactions, stokes shift and fine structure splitting are progressively decreased with the increasing diameters. Alloy Zn{sub x}Cd{sub 1−x}Se nanocrystal with Zn rich and large diameter is the best candidate to optimistically be used as a source of entangled photon pairs. The agreement with the experimental data is remarkable. Finally, the present systematic study on the structural properties and excitonic splitting predominantly opens a new perspective to understand the size- and composition-dependent properties of Zn{sub x}Cd{sub 1−x}Se nanocrystals with a comprehensive strategy to design the optoelectronic devices.

  17. The Sun-Earth connect 2: Modelling patterns of a fractal Sun in time and space using the fine structure constant

    Science.gov (United States)

    Baker, Robert G. V.

    2017-02-01

    Self-similar matrices of the fine structure constant of solar electromagnetic force and its inverse, multiplied by the Carrington synodic rotation, have been previously shown to account for at least 98% of the top one hundred significant frequencies and periodicities observed in the ACRIM composite irradiance satellite measurement and the terrestrial 10.7cm Penticton Adjusted Daily Flux data sets. This self-similarity allows for the development of a time-space differential equation (DE) where the solutions define a solar model for transmissions through the core, radiative, tachocline, convective and coronal zones with some encouraging empirical and theoretical results. The DE assumes a fundamental complex oscillation in the solar core and that time at the tachocline is smeared with real and imaginary constructs. The resulting solutions simulate for tachocline transmission, the solar cycle where time-line trajectories either 'loop' as Hermite polynomials for an active Sun or 'tail' as complementary error functions for a passive Sun. Further, a mechanism that allows for the stable energy transmission through the tachocline is explored and the model predicts the initial exponential coronal heating from nanoflare supercharging. The twisting of the field at the tachocline is then described as a quaternion within which neutrinos can oscillate. The resulting fractal bubbles are simulated as a Julia Set which can then aggregate from nanoflares into solar flares and prominences. Empirical examples demonstrate that time and space fractals are important constructs in understanding the behaviour of the Sun, from the impact on climate and biological histories on Earth, to the fractal influence on the spatial distributions of the solar system. The research suggests that there is a fractal clock underpinning solar frequencies in packages defined by the fine structure constant, where magnetic flipping and irradiance fluctuations at phase changes, have periodically impacted on the

  18. EXAFS analysis of full color glasses and glass ceramics: local order and color

    International Nuclear Information System (INIS)

    Santa Cruz, Petrus A.; Sa, Gilberto F. de; Malta, Oscar L.; Silva, Jose expedito Cavalcante

    1996-01-01

    The generation and control of the relative intensities of the primary additive colors in solid state light emitters is very important to the development of higher resolution media, used in color monitors, solid state sensors, large area and flat displays and other optoelectronic devices. We have developed a multi-doped glassy material named FCG (full color glass, to generate and to control the primary light colors, allowing the simulation of any color of light by additive synthesis. Tm(III), Tb(III) and Eu(III) ions were used (0.01 to 5.0 mol%) as blue, green and red narrow emitters. A wide color gamut was obtained under ultraviolet excitation by varying the material composition. The chromaticity diagram is covered, including the white simulation. We proposed a mechanism to control the chromaticity of a fixed composition of the material, using the Er (III) as a selective quencher that may be deactivated by infrared excitation. Although this new material presents at this time a high efficiency, it may be improved because the energy transfer between the rare earth triad may be still reduced. Optical spectroscopy measurements confirms that it is still possible to improve the efficiency of the FCC material. EXAFS analysis will be used to probe the local environment around the triad of rare earth that generates the primary colors. For this purpose we have prepared single doped glasses with each component of the triad with the same concentration than FCG. The devitrification of these glasses will be analyzed in order to produce glassceramics with ion segregation. (author)

  19. The geochemical behaviour of selenium in the Boom Clay system - a XANES and EXAFS study

    International Nuclear Information System (INIS)

    2S, KULeuven, B-3001Leuven (Belgium))" data-affiliation=" (Center for surface Chemistry and Catalysis - M2S, KULeuven, B-3001Leuven (Belgium))" >Breynaert, Eric; 2S, KULeuven, B-3001Leuven (Belgium))" data-affiliation=" (Center for surface Chemistry and Catalysis - M2S, KULeuven, B-3001Leuven (Belgium))" >Dom, Dirk; 2S, KULeuven, B-3001Leuven (Belgium))" data-affiliation=" (Center for surface Chemistry and Catalysis - M2S, KULeuven, B-3001Leuven (Belgium))" >Vancluysen, Jacqueline; 2S, KULeuven, B-3001Leuven (Belgium))" data-affiliation=" (Center for surface Chemistry and Catalysis - M2S, KULeuven, B-3001Leuven (Belgium))" >Kirschhock, Christine E.A.; 2S, KULeuven, B-3001Leuven (Belgium))" data-affiliation=" (Center for surface Chemistry and Catalysis - M2S, KULeuven, B-3001Leuven (Belgium))" >Maes, Andre; Scheinost, Andreas C.

    2010-01-01

    Document available in extended abstract form only. In Belgium, the Boom Clay formation is studied as a reference host formation for the geological disposal of high-level and long-lived radioactive waste for more than 30 years. This formation mainly consists of mixed clay minerals (illite, inter-stratified illite-smectite), pyrite and immobile and dissolved natural organic matter. Since it provides good sorption capacities, very low permeability, and chemically reducing conditions due to the presence of pyrite (FeS 2 ), the Boom clay formation itself is considered to be the main barrier preventing radionuclide migration from the geological repository. Within this concept for geological storage Se 79 has been identified as one of the critical elements contributing to the final dose to man. Although the sorption and migration behaviour of Se in the Boom Clay system has been thoroughly studied, the speciation of Se in the Boom Clay system has never been identified spectroscopically. In all previous studies, the interpretation of the behaviour of Se in Boom Clay conditions has always been based on circumstantial evidence such as solubility measurements or comparison with the spectroscopically identified speciation of Se in model systems. Based on the XANES analysis, selenite is transformed into Se 0 confirming the previously proposed reduction of selenite in the Boom Clay system. Combination of the mass-balance for Se with the results from linear combination analysis of the XANES spectra provided new evidence for the sorption-reduction mechanism proposed to explain the interaction between Se(IV) and the BC solid phase. In addition, evidence was found that that the fate of Se(IV) in the BC system is completely dominated by its interaction with pyrite present in the Boom Clay. The combined EXAFS analysis of Se in Se 0 reference phases (hexagonal, monoclinic, Se-loaded pyrite) allowed to elucidate further details on the short-range structure of the reaction products formed

  20. X-ray spectroscopy of solids under pressure. Annual progress report, August 1983-July 1984

    International Nuclear Information System (INIS)

    Ingalls, R.L.

    1984-01-01

    X-ray absorption studies of several materials as a function of pressure have been performed. Of particular interest has been the EXAFS (extended x-ray absorption fine structure) and XANES (x-ray absorption near edge structure). Materials studied include the alkali halides, NaBr and RbCl, zinc blend semiconductors ZnSe and CuBr and mixed-valence materials SmS and SmSe. In the former, the volume dependence of bond lengths and their mean square fluctuations were determined from the EXAFS. In the latter materials the XANES exhibited the pressure induced change from the Sm 2+ configuration to Sm 3+