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Sample records for ni k-edge xas

  1. Spin-Polarization-Induced Preedge Transitions in the Sulfur K-Edge XAS Spectra of Open-Shell Transition-Metal Sulfates: Spectroscopic Validation of σ-Bond Electron Transfer.

    Science.gov (United States)

    Frank, Patrick; Szilagyi, Robert K; Gramlich, Volker; Hsu, Hua-Fen; Hedman, Britt; Hodgson, Keith O

    2017-02-06

    Sulfur K-edge X-ray absorption spectroscopy (XAS) spectra of the monodentate sulfate complexes [M II (itao)(SO 4 )(H 2 O) 0,1 ] (M = Co, Ni, Cu) and [Cu(Me 6 tren)(SO 4 )] exhibit well-defined preedge transitions at 2479.4, 2479.9, 2478.4, and 2477.7 eV, respectively, despite having no direct metal-sulfur bond, while the XAS preedge of [Zn(itao)(SO 4 )] is featureless. The sulfur K-edge XAS of [Cu(itao)(SO 4 )] but not of [Cu(Me 6 tren)(SO 4 )] uniquely exhibits a weak transition at 2472.1 eV, an extraordinary 8.7 eV below the first inflection of the rising K-edge. Preedge transitions also appear in the sulfur K-edge XAS of crystalline [M II (SO 4 )(H 2 O)] (M = Fe, Co, Ni, and Cu, but not Zn) and in sulfates of higher-valent early transition metals. Ground-state density functional theory (DFT) and time-dependent DFT (TDDFT) calculations show that charge transfer from coordinated sulfate to paramagnetic late transition metals produces spin polarization that differentially mixes the spin-up (α) and spin-down (β) spin orbitals of the sulfate ligand, inducing negative spin density at the sulfate sulfur. Ground-state DFT calculations show that sulfur 3p character then mixes into metal 4s and 4p valence orbitals and various combinations of ligand antibonding orbitals, producing measurable sulfur XAS transitions. TDDFT calculations confirm the presence of XAS preedge features 0.5-2 eV below the rising sulfur K-edge energy. The 2472.1 eV feature arises when orbitals at lower energy than the frontier occupied orbitals with S 3p character mix with the copper(II) electron hole. Transmission of spin polarization and thus of radical character through several bonds between the sulfur and electron hole provides a new mechanism for the counterintuitive appearance of preedge transitions in the XAS spectra of transition-metal oxoanion ligands in the absence of any direct metal-absorber bond. The 2472.1 eV transition is evidence for further radicalization from copper(II), which

  2. Metal and ligand K-edge XAS of organotitanium complexes: metal 4p and 3d contributions to pre-edge intensity and their contributions to bonding.

    Science.gov (United States)

    George, Serena DeBeer; Brant, Patrick; Solomon, Edward I

    2005-01-19

    Titanium cyclopentadienyl (Cp) complexes play important roles as homogeneous polymerization catalysts and have recently received attention as potential anticancer agents. To systematically probe the contribution of the Cp to bonding in organotitanium complexes, Ti K-edge XAS has been applied to TiCl(4) and then to the mono- and bis-Cp complexes, TiCpCl(3) and TiCp(2)Cl(2). Ti K-edge XAS is used as a direct probe of metal 3d-4p mixing and provides insight into the contribution of the Cp to bonding. These data are complimented by Cl K-edge XAS data, which provide a direct probe of the effect of the Cp on the bonding to the spectator chloride ligand. The experimental results are correlated to DFT calculations. A model for metal 3d-4p mixing is proposed, which is based on covalent interactions with the ligands and demonstrates that metal K-pre-edge intensities may be used as a measure of ligand-metal covalency in molecular Ti(IV) systems in noncentrosymmetric environments.

  3. Effects of higher-coordination shells in garnets detected by XAS at the Al K-edge

    International Nuclear Information System (INIS)

    Marcelli, A.; Wu, Z.; Mottana, A.; Giuli, G.; Paris, E.; Seifert, F.

    1996-03-01

    The aluminium 1 s x-ray-absorption spectra of a series of garnets, pyrope, almandine, spessartine and grossular, are compared to full multiple-scattering calculation using cluster models. An overall good agreement between experiment and calculation, extended also to the edge region,is obtained in the energy range in up to 60 e V above the threshold, provided cluster containing at least 40 atoms are used. The analysis of these garnet XAS spectra provides clear evidence on the effect of probe, XANES spectroscopy at the edge of low Z elements appears to be a perfect tool to investigate the role played by atoms located in higher-coordination shells

  4. Effects of higher-coordination shells in garnets detected by XAS at the Al K-edge

    Energy Technology Data Exchange (ETDEWEB)

    Marcelli, A. [Istituto Nazionale di Fisica Nucleare, Frascati (Italy). Lab. Nazionale di Frascati; Wu, Z. [CNRS UMR 110, Laboratoire de Chimie des Solides, Nantes Cedex (France). Institut de materiaux de Nantes; Mottana, A. [Roma III Univ., Rome (Italy). Dipartimento di Scienze Geologiche; Giuli, G.; Paris, E. [Camerino Univ., Camerino (Italy).Diparimento di Scienze della Terra; Seifert, F [Univ. Bayreuth, Bayreuth (Italy). Bayerisches Geoinstitut (Germany)

    1996-03-01

    The aluminium 1 s x-ray-absorption spectra of a series of garnets, pyrope, almandine, spessartine and grossular, are compared to full multiple-scattering calculation using cluster models. An overall good agreement between experiment and calculation, extended also to the edge region,is obtained in the energy range in up to 60 e V above the threshold, provided cluster containing at least 40 atoms are used. The analysis of these garnet XAS spectra provides clear evidence on the effect of probe, XANES spectroscopy at the edge of low Z elements appears to be a perfect tool to investigate the role played by atoms located in higher-coordination shells.

  5. K-edge resonant x-ray magnetic scattering from a transition-metal oxide: NiO

    DEFF Research Database (Denmark)

    Hill, J.P.; Kao, C.C.; McMorrow, D.F.

    1997-01-01

    We report the observation of resonant x-ray magnetic scattering in the vicinity of the Ni K edge in the antiferromagnet NiO. An approximately twofold increase in the scattering is observed as the incident photon energy is tuned through a pre-edge feature in the absorption spectrum, associated...

  6. Beam-induced redox transformation of arsenic during As K-edge XAS measurements: availability of reducing or oxidizing agents and As speciation.

    Science.gov (United States)

    Han, Young Soo; Jeong, Hoon Young; Hyun, Sung Pil; Hayes, Kim F; Chon, Chul Min

    2018-05-01

    During X-ray absorption spectroscopy (XAS) measurements of arsenic (As), beam-induced redox transformation is often observed. In this study, the As species immobilized by poorly crystallized mackinawite (FeS) was assessed for the susceptibility to beam-induced redox reactions as a function of sample properties including the redox state of FeS and the solid-phase As speciation. The beam-induced oxidation of reduced As species was found to be mediated by the atmospheric O 2 and the oxidation products of FeS [e.g. Fe(III) (oxyhydr)oxides and intermediate sulfurs]. Regardless of the redox state of FeS, both arsenic sulfide and surface-complexed As(III) readily underwent the photo-oxidation upon exposure to the atmospheric O 2 during XAS measurements. With strict O 2 exclusion, however, both As(0) and arsenic sulfide were less prone to the photo-oxidation by Fe(III) (oxyhydr)oxides than NaAsO 2 and/or surface-complexed As(III). In case of unaerated As(V)-reacted FeS samples, surface-complexed As(V) was photocatalytically reduced during XAS measurements, but arsenic sulfide did not undergo the photo-reduction.

  7. Nickel distribution and isotopic fractionation in a Brazilian lateritic regolith: Coupling Ni isotopes and Ni K-edge XANES

    Science.gov (United States)

    Ratié, G.; Garnier, J.; Calmels, D.; Vantelon, D.; Guimarães, E.; Monvoisin, G.; Nouet, J.; Ponzevera, E.; Quantin, C.

    2018-06-01

    Ultramafic (UM) rocks are known to be nickel (Ni) rich and to weather quickly, which makes them a good candidate to look at the Ni isotope systematics during weathering processes at the Earth's surface. The present study aims at identifying the Ni solid speciation and discussing the weathering processes that produce Ni isotope fractionation in two deep laterite profiles under tropical conditions (Barro Alto, Goiás State, Brazil). While phyllosilicates and to a lower extent goethite are the main Ni-bearing phases in the saprolitic part of the profile, iron (Fe) oxides dominate the Ni budget in the lateritic unit. Nickel isotopic composition (δ60Ni values) has been measured in each unit of the regolith, i.e., rock, saprock, saprolite and laterite (n = 52). δ60Ni varies widely within the two laterite profiles, from -0.10 ± 0.05‰ to 1.43 ± 0.05‰, showing that significant Ni isotope fractionation occurs during the weathering of UM rocks. Overall, our results show that during weathering, the solid phase is depleted in heavy Ni isotopes due to the preferential sorption and incorporation of light Ni isotopes into Fe oxides; the same mechanisms likely apply to the incorporation of Ni into phyllosilicates (type 2:1). However, an isotopically heavy Ni pool is observed in the solid phase at the bottom of the saprolitic unit. This feature can be explained by two hypotheses that are not mutually exclusive: (i) a depletion in light Ni isotopes during the first stage of weathering due to the preferential dissolution of light Ni-containing minerals, and (ii) the sorption or incorporation of isotopically heavy Ni carried by percolating waters (groundwater samples have δ60Ni of 2.20 and 2.27‰), that were enriched in heavy Ni isotopes due to successive weathering processes in the overlying soil and laterite units.

  8. Difference between Cr and Ni K-edge XANES spectra of rust layers formed on Fe-based binary alloys exposed to Cl-rich environment

    International Nuclear Information System (INIS)

    Konishi, Hiroyuki; Mizuki, Jun'ichiro; Yamashita, Masato; Uchida, Hitoshi

    2005-01-01

    The rust layer formed on weathering steel possesses a strong protective ability against corrosives in an atmospheres. This ability is related to the structure of the rust layer. The difference in the protective ability of a rust layer. The difference in the protective ability of a rust layer in a Cl-rich environment between conventional weathering steel containing Cr and advanced weathering steel containing Ni is believed to be caused by the differences in local structural and chemical properties between alloying elements. Cr and Ni, in the rust layer. In order to examine the effect of these alloying elements on the structure of the rust layer formed on steel in a Cl-rich environment, we have performed Cr and Ni K-edge X-ray absorption near-edge structure (XANES) measurements for the rust layer of Fe-Cr and Fe-Ni binary alloys exposed to a Cl-rich atmosphere using synchrotron radiation. The results of the Cr K-edge XANES measurements for the rust layer of Fe-Cr binary alloys show that the atomic geometry around Cr depends on the concentration of Cr. Therefore, it is expected that the local structure around Cr in the rust layer is unstable. On the other hand, from the results of the Ni K-edge XANES measurements for the rust layer of Fe-Ni binary alloys. Ni is considered to be positioned at a specific site in the crystal structure of a constituent of the rust layer, such as akaganeite or magnetite. As a consequence, Ni negligibly interacts with Cl - ions in the rust layer. (author)

  9. Cl K-edge XANES spectra of atmospheric rust on Fe, Fe-Cr and Fe-Ni alloys exposed to saline environment

    International Nuclear Information System (INIS)

    Konishi, Hiroyuki; Mizuki, Jun'ichiro; Yamashita, Masato; Uchida, Hitoshi

    2004-01-01

    Cl K-edge XANES measurements of atmospheric corrosion products (rust) formed on Fe, Fe-Ni and Fe-Cr alloys in chloride pollution have been performed using synchrotron radiation in order to clarify roles of anticorrosive alloying elements and of Cl in the corrosion resistance of weathering steel. The spectra of binary alloys show a shoulder structure near the absorption edge. The intensity of the shoulder peak depends on the kind and amount of the alloying element, whereas the energy position is invariant. This indicates that Cl is not combined directly with alloying elements in the rust. (author)

  10. Structural disorder and electronic hybridization in Ni{sub c}Mg{sub 1-c}O solid solutions probed by XANES at the oxygen K edge

    Energy Technology Data Exchange (ETDEWEB)

    Chen Dongliang [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Zhong Jun [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Chu Wangsheng [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Wu Ziyu [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Kuzmin, Alexei [Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Mironova-Ulmane, Nina [Institute of Solid State Physics, University of Latvia, Kengaraga 8, LV-1063 Riga (Latvia); Marcelli, Augusto [Laboratori Nazionali di Frascati, Istituto Nazionale di Fisica Nucleare, PO Box 13, 00044 Frascati (Italy)

    2007-09-05

    A series of Ni{sub c}Mg{sub 1-c}O solid solutions has been studied for the first time looking at the structural disorder by means of x-ray absorption near-edge-structure (XANES) spectroscopy at the oxygen K edge. The experimental XANES signals were analysed within the full multiple scattering formalism and were interpreted taking into account clusters of up to 15 coordination shells around an absorbing oxygen atom. The substitution of nickel atoms by magnesium atoms results in a dramatic decrease of the empty density of states in the conduction band close to the Fermi level due to an exchange of the 3d(Ni)-2p(O) interaction with 3p(Mg)-2p(O). Besides, a simultaneous small decrease of the 3d(Ni)-2p(O) hybridization is also induced by the lattice expansion, determined by the difference in ionic radii between nickel and magnesium ions.

  11. Na, Mg, Ni and Cs distribution and speciation after long-term alteration of a simulated nuclear waste glass: A micro-XAS/XRF/XRD and wet chemical study

    Science.gov (United States)

    Curti, Enzo; Dähn, Rainer; Farges, François; Vespa, Marika

    2009-04-01

    Microscopic distribution and speciation of Na, Mg, Ni and Cs in a simulated (inactive) nuclear waste glass were studied using micro X-ray fluorescence (μ-XRF) and micro X-ray absorption spectroscopy (μ-XAS), after aqueous leaching during 12 years at 90 °C. Na and Mg are major constituents of the glass that can be used to determine the progress of the glass corrosion process and the nature of secondary alteration phases. Ni and Cs represent dose determining long-lived radionuclides ( 59Ni, 135Cs) in vitrified nuclear waste. The Na-Mg μ-XRF maps revealed that the core regions of the glass fragments are apparently unaltered and compositionally homogeneous, whereas rims and interstitial spaces are enriched with Mg-rich smectite formed during the leaching process. The micro X-ray absorption near edge structure (μ-XANES) spectra collected at the Mg K-edge in the altered zones show three sharp resonances typical for crystalline Mg-silicates. These resonances are distinctive of Mg occupying undistorted octahedral positions. In contrast, the μ-XANES spectra collected in the core zones of the glass fragments lack this resonance pattern and are identical to the spectra measured on the pristine (unleached) MW glass. Micro extended X-ray absorption fine structure (μ-EXAFS) and μ-XANES analyses at the Ni K-edge revealed three distinct Ni(II) species: (a) Ni uniformly distributed in the glass matrix, (b) micro-inclusions with high Ni concentrations and (c) Ni associated to the Mg-clay. The comparison with reference spectra of unleached MW and other Ni-bearing silicate glasses indicated that species (a) represents the original coordinative environment of Ni in the glass. The μ-EXAFS analyses revealed that species (b) is structural Ni in trevorite (NiFe 2O 4), which probably formed through unmixing processes during the cooling of the glass melt. The μ-EXAFS of species (c) could be successfully modeled assuming specific adsorption or incorporation of Ni into the lattice of

  12. K-edge densitometer (KED)

    Energy Technology Data Exchange (ETDEWEB)

    Sprinkle, J.K.; Hansen, W.J.

    1993-02-11

    In 1979, a K-edge densitometer (KED) was installed by the Safeguards Assay group from Los Alamos National Laboratory in the PNC reprocessing plant at Tokai-mura, Japan. It uses an active nondestructive assay technique, KED, to measure the plutonium concentration of the product solution. The measurement uncertainty of an assay depends on the count time chosen, but can be 0.5% or better. The computer hardware and software were upgraded in 1992. This manual describes the operation of the instrument, with an emphasis on the user interface to the software.

  13. Characterization of rust layer formed on Fe, Fe-Ni and Fe-Cr alloys exposed to Cl-rich environment by Cl and Fe K-edge XANES measurements

    International Nuclear Information System (INIS)

    Konishi, Hiroyuki; Mizuki, Jun'ichiro; Yamashita, Masato; Uchida, Hitoshi

    2005-01-01

    Chloride in atmosphere considerably reduces the corrosion resistance of conventional weathering steel containing a small amount of Cr. Ni is an effective anticorrosive element for improving the corrosion resistance of steel in a Cl-rich environment. In order to clarify the structure of the protective rust layer of weathering steel, Cl and Fe K-edge X-ray absorption near edge structure (XANES) spectra of atmospheric corrosion products (rust) formed on Fe, Fe-Ni and Fe-Cr alloys exposed to Cl-rich atmosphere were measured. The Fe K-XANES measurements enable the characterization of mixture of iron oxides such as rust. The chemical composition of the rust was determined by performing pattern fitting of the measured spectra. All the rust is composed mainly of goethite, akaganeite, lepidocrocite and magnetite. Among these iron oxides, akaganeite in particular is the major component in the rust. Additionally, the amount of akaganeite in the rust of Fe-Ni alloy is much greater than that in rust of Fe-Cr alloy. Akaganeite is generally considered to facilitate the corrosion of steel, but our results indicate that akaganeite in the rust of Fe-Ni alloy is quantitatively different from that in rust of Fe-Cr alloy and does not facilitate the corrosion of steel. The shoulder peak observed in Cl K-XANES spectra reveals that the rust contains a chloride other than akaganeite. The energy of the shoulder peak does not correspond to that of any well-known chlorides. In the measured spectra, there is no proof that Cl, by combining with the alloying element, inhibits the alloying element from acting in corrosion resistance. The shoulder peak appears only when the content of the alloying element is lower than a certain value. This suggests that the generation of the unidentified chloride is related to the corrosion rate of steel. (author)

  14. High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.

    Science.gov (United States)

    Lima, Frederico A; Bjornsson, Ragnar; Weyhermüller, Thomas; Chandrasekaran, Perumalreddy; Glatzel, Pieter; Neese, Frank; DeBeer, Serena

    2013-12-28

    X-ray absorption spectroscopy (XAS) is a widely used experimental technique capable of selectively probing the local structure around an absorbing atomic species in molecules and materials. When applied to heavy elements, however, the quantitative interpretation can be challenging due to the intrinsic spectral broadening arising from the decrease in the core-hole lifetime. In this work we have used high-energy resolution fluorescence detected XAS (HERFD-XAS) to investigate a series of molybdenum complexes. The sharper spectral features obtained by HERFD-XAS measurements enable a clear assignment of the features present in the pre-edge region. Time-dependent density functional theory (TDDFT) has been previously shown to predict K-pre-edge XAS spectra of first row transition metal compounds with a reasonable degree of accuracy. Here we extend this approach to molybdenum K-edge HERFD-XAS and present the necessary calibration. Modern pure and hybrid functionals are utilized and relativistic effects are accounted for using either the Zeroth Order Regular Approximation (ZORA) or the second order Douglas-Kroll-Hess (DKH2) scalar relativistic approximations. We have found that both the predicted energies and intensities are in excellent agreement with experiment, independent of the functional used. The model chosen to account for relativistic effects also has little impact on the calculated spectra. This study provides an important calibration set for future applications of molybdenum HERFD-XAS to complex catalytic systems.

  15. Mineralogical characterization of arsenic, iron, and nickel in uranium mine tailings using XAS and EMPA

    International Nuclear Information System (INIS)

    Essilfie-Dughan, J.; Hendry, M.J.; Warner, J.; Kotzer, T.

    2010-01-01

    In northern Saskatchewan, Canada, high-grade uranium ores and the resulting tailings can contain high levels of arsenic (As), iron (Fe), and nickel (Ni). An environmental concern in the uranium mining industry is the long-term stabilization of these elements of concern (EOCs) within tailings management facilities thereby mitigating their transfer to the surrounding groundwater. Characterization of these As-, Fe- and Ni-bearing minerals and complexes must be carried out to evaluate their solubility and long-term stability within the tailings mass. Synchrotron-based bulk x-ray absorption spectroscopy (XAS) has been used to study the speciation of these EOCs in mine tailing samples obtained from the Deilmann Tailings Management Facility (DTMF) at Key Lake, Saskatchewan. Electron microprobe analysis (EMPA) and synchrotron-based micro-focussing x-ray fluorescence mapping and absorption spectroscopy (μXRF; μXAS ) have also been employed to study spatial distribution and speciation at the micron scale. Comparisons of K-edge absorption spectra of tailings samples and reference compounds indicate the dominant oxidation states of As, Fe, and Ni in the mine tailings samples are +5, +3, and +2, respectively, largely reflecting their deposition in an oxidized environment and complexation within stable oxic phases. Backscattered electron (BSE) images of the tailings from the electron microprobe indicate the presence of gypsum/lime nodules surrounded by metallic rims mainly consisting of As, Fe, and Ni. μXRF elemental mapping confirms these EPMA results. μXAS collected within the metal-bearing rims indicates As and Fe is present mainly in the +5 and +3 oxidation state, respectively. (author)

  16. Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates.

    Science.gov (United States)

    Donahue, Courtney M; Pacheco, Juan S Lezama; Keith, Jason M; Daly, Scott R

    2014-06-28

    S K-edge X-ray absorption spectroscopy (XAS) and time-dependent density functional theory (TDDFT) calculations were performed on a series of As[S2CNR2]3 complexes, where R2 = Et2, (CH2)5 and Ph2, to determine how dithiocarbamate substituents attached to N affect As[S2CNR2]3 electronic structure. Complimentary [PPh4][S2CNR2] salts were also studied to compare dithiocarbamate bonding in the absence of As. The XAS results indicate that changing the orientation of the alkyl substituents from trans to cis (R2 = Et2vs. (CH2)5) yields subtle variations whereas differences associated with a change from alkyl to aryl are much more pronounced. For example, despite the differences in As 4p mixing, the first features in the S K-edge XAS spectra of [PPh4][S2CNPh2] and As[S2CNPh2]3 were both shifted by 0.3 eV compared to their alkyl-substituted derivatives. DFT calculations revealed that the unique shift observed for [PPh4][S2CNPh2] is due to phenyl-induced splitting of the π* orbitals delocalized over N, C and S. A similar phenomenon accounts for the shift observed for As[S2CNPh2]3, but the presence of two unique S environments (As-S and As···S) prevented reliable analysis of As-S covalency from the XAS data. In the absence of experimental values, DFT calculations revealed a decrease in As-S orbital mixing in As[S2CNPh2]3 that stems from a redistribution of electron density to S atoms participating in weaker As···S interactions. Simulated spectra obtained from TDDFT calculations reproduce the experimental differences in the S K-edge XAS data, which suggests that the theory is accurately modeling the experimental differences in As-S orbital mixing. The results highlight how S K-edge XAS and DFT can be used cooperatively to understand the electronic structure of low symmetry coordination complexes containing S atoms in different chemical environments.

  17. In situ, Cr K-edge XAS study on the Phillips catalyst : activation and ethylene polymerization

    NARCIS (Netherlands)

    Groppo, E.; Prestipino, C.; Cesano, F.; Bonino, F.; Bordiga, S.; Lamberti, C.; Thuene, P.C.; Niemantsverdriet, J.W.; Zecchina, A.

    2005-01-01

    In this in situ EXAFS and XANES study on the Phillips ethylene-polymerization Cr/SiO2 catalyst, two polymerization routes are investigated and compared. The first mimics that adopted in industrial plants, where ethylene is dosed directly on the oxidized catalyst, while in the second the oxidized

  18. Sulfur K-edge X-ray absorption spectroscopy as an experimental probe for S-nitroso proteins

    International Nuclear Information System (INIS)

    Szilagyi, Robert K.; Schwab, David E.

    2005-01-01

    X-ray absorption spectroscopy at the sulfur K-edge (2.4-2.6 keV) provides a sensitive and specific technique to identify S-nitroso compounds, which have significance in nitric oxide-based cell signaling. Unique spectral features clearly distinguish the S-nitroso-form of a cysteine residue from the sulfhydryl-form or from a methionine thioether. Comparison of the sulfur K-edge spectra of thiolate, thiol, thioether, and S-nitroso thiolate compounds indicates high sensitivity of energy positions and intensities of XAS pre-edge features as determined by the electronic environment of the sulfur absorber. A new experimental setup is being developed for reaching the in vivo concentration range of S-nitroso thiol levels in biological samples

  19. Investigation of Prussian Blue Analogs by XMCD at the K-edge of transition metals

    International Nuclear Information System (INIS)

    Bordage, A; Bleuzen, A; Nataf, L; Baudelet, F

    2016-01-01

    Despite transition metal (TM) K-edge x-ray magnetic circular dichroism (XMCD) seems an interesting tool to get magnetic and structural information at the atomic scale, the effects originating this signal are still poorly understood. We thus initiated a deep investigation of the TM K-edge XMCD using Prussian Blue analogs (PBA) as model-compounds. In a recent study of the NiFe PBA family, we demonstrated that the XMCD signals at the TM K-edges strongly vary with external (mechanical) or internal (chemical) pressure and so that they are highly sensitive to small structural distortions. Following these first results, we extended this approach to the MnFe and CoFe families to evaluate the effect of electronic parameters (number of unpaired electrons of the M II TM) on the XMCD signal. All the results set milestones in the disentanglement of the components originating the XMCD signals at the K-edge of TM and will eventually help in a better understanding of the photomagnetic properties of PBAs. (paper)

  20. K-edge Radiography and applications to Cultural Heritage

    OpenAIRE

    Albertin, Fauzia

    2011-01-01

    The present work of thesis is focused on application of X-ray K-edge technique to paintings. This technique allows one to achieve a topographic map of a pigment on the whole surface of the painting. The digital acquisition of radiographic images by using monochromatic X-ray beams allows to take advantage of the sharp rise of X-ray absorption coefficient of the elements, the K-edge discontinuity. Working at different energies, bracketing the K-edge peak, allows recognition ...

  1. Silicon K-edge XANES spectra of silicate minerals

    Science.gov (United States)

    Li, Dien; Bancroft, G. M.; Fleet, M. E.; Feng, X. H.

    1995-03-01

    Silicon K-edge x-ray absorption near-edge structure (XANES) spectra of a selection of silicate and aluminosilicate minerals have been measured using synchrotron radiation (SR). The spectra are qualitatively interpreted based on MO calculation of the tetrahedral SiO{4/4-}cluster. The Si K-edge generally shifts to higher energy with increased polymerization of silicates by about 1.3 eV, but with considerable overlap for silicates of different polymerization types. The substitution of Al for Si shifts the Si K-edge to lower energy. The chemical shift of Si K-edge is also sensitive to cations in more distant atom shells; for example, the Si K-edge shifts to lower energy with the substitution of Al for Mg in octahedral sites. The shifts of the Si K-edge show weak correlation with average Si-O bond distance (dSi-O), Si-O bond valence (sSi-O) and distortion of SiO4 tetrahedra, due to the crystal structure complexity of silicate minerals and multiple factors effecting the x-ray absorption processes.

  2. Material Discrimination Based on K-edge Characteristics

    Directory of Open Access Journals (Sweden)

    Peng He

    2013-01-01

    Full Text Available Spectral/multienergy CT employing the state-of-the-art energy-discriminative photon-counting detector can identify absorption features in the multiple ranges of photon energies and has the potential to distinguish different materials based on K-edge characteristics. K-edge characteristics involve the sudden attenuation increase in the attenuation profile of a relatively high atomic number material. Hence, spectral CT can utilize material K-edge characteristics (sudden attenuation increase to capture images in available energy bins (levels/windows to distinguish different material components. In this paper, we propose an imaging model based on K-edge characteristics for maximum material discrimination with spectral CT. The wider the energy bin width is, the lower the noise level is, but the poorer the reconstructed image contrast is. Here, we introduce the contrast-to-noise ratio (CNR criterion to optimize the energy bin width after the K-edge jump for the maximum CNR. In the simulation, we analyze the reconstructed image quality in different energy bins and demonstrate that our proposed optimization approach can maximize CNR between target region and background region in reconstructed image.

  3. The efficacy of K-edge filters in diagnostic radiology

    International Nuclear Information System (INIS)

    Williamson, B.D.P.; van Doorn, T.

    1994-01-01

    The application of K-edge filters in diagnostic has been investigated by many workers for over twenty years. These investigations have analysed the effects of such filters on image quality and radiation dose as well as the practicalities of their application. This paper presents a synopsis of the published works and concludes that K-edge filters do not perceptibly improve image quality and make only limited reductions in patient dose. K-edge filters are also costly to purchase and potentially result in a reduction in the cost effectiveness of x-ray examinations by increasing the x-ray tube loading. Equivalent contrast enhancement and dose reductions can be achieved by the assiduous choice of non-selective filters. 51 refs., 2 tab., 6 figs

  4. Carbon K-edge spectra of carbonate minerals.

    Science.gov (United States)

    Brandes, Jay A; Wirick, Sue; Jacobsen, Chris

    2010-09-01

    Carbon K-edge X-ray spectroscopy has been applied to the study of a wide range of organic samples, from polymers and coals to interstellar dust particles. Identification of carbonaceous materials within these samples is accomplished by the pattern of resonances in the 280-320 eV energy region. Carbonate minerals are often encountered in the study of natural samples, and have been identified by a distinctive resonance at 290.3 eV. Here C K-edge and Ca L-edge spectra from a range of carbonate minerals are presented. Although all carbonates exhibit a sharp 290 eV resonance, both the precise position of this resonance and the positions of other resonances vary among minerals. The relative strengths of the different carbonate resonances also vary with crystal orientation to the linearly polarized X-ray beam. Intriguingly, several carbonate minerals also exhibit a strong 288.6 eV resonance, consistent with the position of a carbonyl resonance rather than carbonate. Calcite and aragonite, although indistinguishable spectrally at the C K-edge, exhibited significantly different spectra at the Ca L-edge. The distinctive spectral fingerprints of carbonates provide an identification tool, allowing for the examination of such processes as carbon sequestration in minerals, Mn substitution in marine calcium carbonates (dolomitization) and serpentinization of basalts.

  5. Carbon K-edge Spectra of Carbonate Minerals

    Energy Technology Data Exchange (ETDEWEB)

    Brandes, J.; Wirick, S; Jacobsen, C

    2010-01-01

    Carbon K-edge X-ray spectroscopy has been applied to the study of a wide range of organic samples, from polymers and coals to interstellar dust particles. Identification of carbonaceous materials within these samples is accomplished by the pattern of resonances in the 280-320 eV energy region. Carbonate minerals are often encountered in the study of natural samples, and have been identified by a distinctive resonance at 290.3 eV. Here C K-edge and Ca L-edge spectra from a range of carbonate minerals are presented. Although all carbonates exhibit a sharp 290 eV resonance, both the precise position of this resonance and the positions of other resonances vary among minerals. The relative strengths of the different carbonate resonances also vary with crystal orientation to the linearly polarized X-ray beam. Intriguingly, several carbonate minerals also exhibit a strong 288.6 eV resonance, consistent with the position of a carbonyl resonance rather than carbonate. Calcite and aragonite, although indistinguishable spectrally at the C K-edge, exhibited significantly different spectra at the Ca L-edge. The distinctive spectral fingerprints of carbonates provide an identification tool, allowing for the examination of such processes as carbon sequestration in minerals, Mn substitution in marine calcium carbonates (dolomitization) and serpentinization of basalts.

  6. Unexpected covalency from actinide 5f orbital interactions (An = Th, U, Np, Pu) determined from chlorine K-edge X-ray absorption spectroscopy and electronic structure theory

    International Nuclear Information System (INIS)

    Clark, D.L.; Batista, E.R.; Boland, K.S.

    2010-01-01

    We have employed Cl K-edge XAS and multiple levels of sophisticated electronic structure calculations on a series of simple octahedral light actinide (Th, U, Np, Pu) chloride salts, AnCl 6 n- in order to assess the relative roles of the valence 5f and 6d orbitals in chemical bonding. Chlorine K-edge X-ray absorption spectroscopy on AnCl 6 n- (An = Th, U, Np, Pu) systems indicates the presence of covalent interactions between both Cl 3p and An 5f and 6d orbitals, with the relative contributions changing across the series. Electronic structure calculations indicate the predominant covalent interactions are expected to occur through An-Cl bonding via t 1u and t 2u interactions with the An 5f orbitals, and through t 2g and e g interactions with An 6d orbitals. For the Cl K-edge data therefore, we expect bound state transitions from Cl 1s → e g (σ), t 2g (π), and t 1u (σ + π) orbitals. Qualitatively, the Cl K-edge data fulfills these expectations

  7. Local structure in LaMnO3 and CaMnO3 perovskites: A quantitative structural refinement of Mn K-edge XANES data

    International Nuclear Information System (INIS)

    Monesi, C.; Meneghini, C.; Bardelli, F.; Benfatto, M.; Mobilio, S.; Manju, U.; Sarma, D.D.

    2005-01-01

    Hole-doped perovskites such as La 1-x Ca x MnO 3 present special magnetic and magnetotransport properties, and it is commonly accepted that the local atomic structure around Mn ions plays a crucial role in determining these peculiar features. Therefore experimental techniques directly probing the local atomic structure, like x-ray absorption spectroscopy (XAS), have been widely exploited to deeply understand the physics of these compounds. Quantitative XAS analysis usually concerns the extended region [extended x-ray absorption fine structure (EXAFS)] of the absorption spectra. The near-edge region [x-ray absorption near-edge spectroscopy (XANES)] of XAS spectra can provide detailed complementary information on the electronic structure and local atomic topology around the absorber. However, the complexity of the XANES analysis usually prevents a quantitative understanding of the data. This work exploits the recently developed MXAN code to achieve a quantitative structural refinement of the Mn K-edge XANES of LaMnO 3 and CaMnO 3 compounds; they are the end compounds of the doped manganite series La x Ca 1-x MnO 3 . The results derived from the EXAFS and XANES analyses are in good agreement, demonstrating that a quantitative picture of the local structure can be obtained from XANES in these crystalline compounds. Moreover, the quantitative XANES analysis provides topological information not directly achievable from EXAFS data analysis. This work demonstrates that combining the analysis of extended and near-edge regions of Mn K-edge XAS spectra could provide a complete and accurate description of Mn local atomic environment in these compounds

  8. Zn-K edge EXAFS study of human nails

    Energy Technology Data Exchange (ETDEWEB)

    Katsikini, M; Mavromati, E; Pinakidou, F; Paloura, E C [School of Physics, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece); Gioulekas, D, E-mail: katsiki@auth.g [Medical School, Aristotle University of Thessaloniki, 54124 Thessaloniki (Greece)

    2009-11-15

    Extended X-ray absorption fine structure (EXAFS) spectroscopy at the Zn - K edge is applied for the study of the bonding geometry of Zn in human nails. The studied nail clippings belong to healthy donors and donors who suffer from lung diseases. Fitting of the first nearest neighboring shell of Zn reveals that it is bonded with N and S, at distances that take values in the ranges 2.00-2.04 A and 2.23-2.28A, respectively. Zn is four - fold coordinated and the ratio of the number of sulfur and nitrogen atoms (N{sub S}/N{sub N}) in the first coordination shell ranges from 0.52 to 1. The sample that belongs to the donor who suffers from lung fibrosis, a condition that is related to keratinization of the lung tissue, is characterized by the highest number of N{sub S}/N{sub N}. Simulation, using the FEFF8 code, of the Zn - K edge EXAFS spectra with models of tetrahedrally coordinated Zn with 1 (or 2) cysteine and 3 (or 2) histidines is satisfactory.

  9. Thermodynamic Modeling of Poorly Complexing Metals in Concentrated Electrolyte Solutions: An X-Ray Absorption and UV-Vis Spectroscopic Study of Ni(II) in the NiCl2-MgCl2-H2O System

    Science.gov (United States)

    Zhang, Ning; Brugger, Joël; Etschmann, Barbara; Ngothai, Yung; Zeng, Dewen

    2015-01-01

    Knowledge of the structure and speciation of aqueous Ni(II)-chloride complexes is important for understanding Ni behavior in hydrometallurgical extraction. The effect of concentration on the first-shell structure of Ni(II) in aqueous NiCl2 and NiCl2-MgCl2 solutions was investigated by Ni K edge X-ray absorption (XAS) and UV-Vis spectroscopy at ambient conditions. Both techniques show that no large structural change (e.g., transition from octahedral to tetrahedral-like configuration) occurs. Both methods confirm that the Ni(II) aqua ion (with six coordinated water molecules at R Ni-O = 2.07(2) Å) is the dominant species over the whole NiCl2 concentration range. However, XANES, EXAFS and UV-Vis data show subtle changes at high salinity (> 2 mol∙kg-1 NiCl2), which are consistent with the formation of small amounts of the NiCl+ complex (up to 0.44(23) Cl at a Ni-Cl distance of 2.35(2) Å in 5.05 mol∙kg-1 NiCl2) in the pure NiCl2 solutions. At high Cl:Ni ratio in the NiCl2-MgCl2-H2O solutions, small amounts of [NiCl2]0 are also present. We developed a speciation-based mixed-solvent electrolyte (MSE) model to describe activity-composition relationships in NiCl2-MgCl2-H2O solutions, and at the same time predict Ni(II) speciation that is consistent with our XAS and UV-Vis data and with existing literature data up to the solubility limit, resolving a long-standing uncertainty about the role of chloride complexing in this system. PMID:25885410

  10. K-Edge Subtraction Angiography with Synchrotron X-Rays

    International Nuclear Information System (INIS)

    Giacomini, John C.

    1996-01-01

    The purpose of this project was to utilize dual energy, monochromatic X-rays produced from synchrotrons radiation in order to obtain noninvasive medical imaging. The application of synchrotrons radiation to medical imaging is based on the principle of iodine dichromography, first described by Bertil Jacobson of the Karolinska Institute in 1953. Medical imaging using synchrotrons radiation and K-edge dichromography was pioneered at Stanford University under the leadership of Dr. Ed Rubenstein, and the late Nobel Laureate in Physics, Dr. Robert Hofstadter. With progressive refinements in hardware, clinical-quality images were obtained of human coronary arteries utilizing peripheral injections of iodinated contrast agent. These images even now are far superior to those being presented by investigators using MRI as an imaging tool for coronary arteries. However, new supplies and instruments in the cardiac catheterization laboratory have served to transform coronary angiography into an outpatient procedure, with relatively little morbidity. We extended the principles learned with coronary angiography to noninvasive imaging of the human bronchial tree. For these images, we utilized xenon as the contrast agent, as it has a K-edge very similar to that of iodine. In this case, there is no true competing diagnostic test, and pulmonary neoplasm is an enormous public health concern. In early experiments, we demonstrated remarkably clear images of the human bronchial tree. These images have been shown internationally; however, funding difficulties primarily with the Department of Energy have not allowed for progression of this promising avenue of research. One potential criticism of the project is that in order to obtain these images, we utilized national laboratories. Some have questioned whether this would lead to a practical imaging modality. However, we have shown that the technology exists to allow for construction of a miniature storage ring, with a superconducting

  11. K-Edge Subtraction Angiography with Synchrotron X-Rays

    CERN Document Server

    Giacomini, J C

    1996-01-01

    The purpose of this project was to utilize dual energy, monochromatic X-rays produced from synchrotrons radiation in order to obtain noninvasive medical imaging. The application of synchrotrons radiation to medical imaging is based on the principle of iodine dichromography, first described by Bertil Jacobson of the Karolinska Institute in 1953. Medical imaging using synchrotrons radiation and K-edge dichromography was pioneered at Stanford University under the leadership of Dr. Ed Rubenstein, and the late Nobel Laureate in Physics, Dr. Robert Hofstadter. With progressive refinements in hardware, clinical-quality images were obtained of human coronary arteries utilizing peripheral injections of iodinated contrast agent. These images even now are far superior to those being presented by investigators using MRI as an imaging tool for coronary arteries. However, new supplies and instruments in the cardiac catheterization laboratory have served to transform coronary angiography into an outpatient procedure, with r...

  12. Portable X-Ray, K-Edge Heavy Metal Detector

    International Nuclear Information System (INIS)

    Fricke, V.

    1999-01-01

    The X-Ray, K-Edge Heavy Metal Detection System was designed and built by Ames Laboratory and the Center for Nondestructive Evaluation at Iowa State University. The system uses a C-frame inspection head with an X-ray tube mounted on one side of the frame and an imaging unit and a high purity germanium detector on the other side. the inspection head is portable and can be easily positioned around ventilation ducts and pipes up to 36 inches in diameter. Wide angle and narrow beam X-ray shots are used to identify the type of holdup material and the amount of the contaminant. Precise assay data can be obtained within minutes of the interrogation. A profile of the containerized holdup material and a permanent record of the measurement are immediately available

  13. Tetrahalide complexes of the [U(NR)2]2+ ion: synthesis, theory, and chlorine K-edge X-ray absorption spectroscopy.

    Science.gov (United States)

    Spencer, Liam P; Yang, Ping; Minasian, Stefan G; Jilek, Robert E; Batista, Enrique R; Boland, Kevin S; Boncella, James M; Conradson, Steven D; Clark, David L; Hayton, Trevor W; Kozimor, Stosh A; Martin, Richard L; MacInnes, Molly M; Olson, Angela C; Scott, Brian L; Shuh, David K; Wilkerson, Marianne P

    2013-02-13

    Synthetic routes to salts containing uranium bis-imido tetrahalide anions [U(NR)(2)X(4)](2-) (X = Cl(-), Br(-)) and non-coordinating NEt(4)(+) and PPh(4)(+) countercations are reported. In general, these compounds can be prepared from U(NR)(2)I(2)(THF)(x) (x = 2 and R = (t)Bu, Ph; x = 3 and R = Me) upon addition of excess halide. In addition to providing stable coordination complexes with Cl(-), the [U(NMe)(2)](2+) cation also reacts with Br(-) to form stable [NEt(4)](2)[U(NMe)(2)Br(4)] complexes. These materials were used as a platform to compare electronic structure and bonding in [U(NR)(2)](2+) with [UO(2)](2+). Specifically, Cl K-edge X-ray absorption spectroscopy (XAS) and both ground-state and time-dependent hybrid density functional theory (DFT and TDDFT) were used to probe U-Cl bonding interactions in [PPh(4)](2)[U(N(t)Bu)(2)Cl(4)] and [PPh(4)](2)[UO(2)Cl(4)]. The DFT and XAS results show the total amount of Cl 3p character mixed with the U 5f orbitals was roughly 7-10% per U-Cl bond for both compounds, which shows that moving from oxo to imido has little effect on orbital mixing between the U 5f and equatorial Cl 3p orbitals. The results are presented in the context of recent Cl K-edge XAS and DFT studies on other hexavalent uranium chloride systems with fewer oxo or imido ligands.

  14. XAS study of V2O5/Al2O3 catalysts doped with rare earth oxides

    International Nuclear Information System (INIS)

    Centeno, M.A.; Malet, P.; Capitan, M.J.; Benitez, J.J.; Carrizosa, I.; Odriozola, J.A.

    1995-01-01

    This paper reports on XAS studies of well dispersed V 2 O 5 /Al 2 O 3 and V 2 O 5 /Sm 2 O 3 /Al 2 O 3 samples. XAS spectra at V-K and Sm-L III edges show that the rare earth oxide favours the formation of regular tetrahedral units, [VO 4 ], over the surface of the support. Positions of the preedge peak at the V-K edge, and intensities of the white line at the Sm-L III edge also suggest modifications in the electronic density around V and Sm atoms when they are simultaneously supported over Al 2 O 3 . ((orig.))

  15. Measurement of X-ray mass attenuation coefficient of nickel around the K-edge using synchrotron radiation based X-ray absorption study

    International Nuclear Information System (INIS)

    Roy, Bunty Rani; Rajput, Parasmani; Jha, S.N.; Nageswara Rao, A.S.

    2015-01-01

    The work presents the X-ray absorption fine structure (XAFS) technique for measuring the X-ray mass attenuation coefficient of nickel metal foil in the X-ray energy range of 8271.2–8849.4 eV using scanning XAFS beam line (BL-09) at Indus-2 synchrotron radiation source facility, Raja Ramanna Centre for Advanced Technology (RRCAT) at Indore, India. The result represents the X-ray mass attenuation coefficient data for 0.02 mm thick Ni metal foil in the XAFS region of Ni K-edge. However, the results are compared to theoretical values using X-COM. There is a maximum deviation which is found exactly near the K-edge jump and decreases as we move away from the absorption edge. Oscillatory structure appears just above the observed absorption edge i.e., 8348.7 eV and is confined to around 250 eV above the edge. - Highlights: • Mass attenuation coefficient measurements of nickel using synchrotron radiation. • The measurements were taken exactly near the Ni K-edge at an energy step of 1 eV. • A maximum deviation is found near the K-edge

  16. Generalized Multi-Edge Analysis for K-Edge Densitometry

    International Nuclear Information System (INIS)

    Collins, M.

    1998-01-01

    In K-edge densitometry (KED), a continuous-energy x-ray beam is transmitted through a liquid sample. The actinide content of the sample can be measured through analysis of the transmitted portion of the x-ray beam. Traditional methods for KED analysis allow the simultaneous calculation of, at most, two actinide concentrations. A generalized multi-edge KED analytical method is presented, allowing up to six actinide concentrations to be calculated simultaneously. Applications of this method for hybrid KED/x-ray fluorescence (HKED) systems are discussed. Current HKED systems require the operator to know the approximate actinide content of each sample, and manually select the proper analysis mode. The new multi-edge KED technique allows rapid identification of the major actinide components in a sample, independent of actinide content. The proper HKED analysis mode can be selected automatically, without requiring sample content information from the user. Automatic HKED analysis would be especially useful in an analytical laboratory setting, where samples with truly unknown characteristics are encountered. Because this technique requires no hardware modifications, several facilities that use HKED may eventually benefit from this approach

  17. Sulfur K-edge absorption spectroscopy on selected biological systems

    International Nuclear Information System (INIS)

    Lichtenberg, Henning

    2008-07-01

    Sulfur is an essential element in organisms. In this thesis investigations of sulfur compounds in selected biological systems by XANES (X-ray Absorption Near Edge Structure) spectroscopy are reported. XANES spectroscopy at the sulfur K-edge provides an excellent tool to gain information about the local environments of sulfur atoms in intact biological samples - no extraction processes are required. Spatially resolved measurements using a Kirkpatrick-Baez mirror focusing system were carried out to investigate the infection of wheat leaves by rust fungi. The results give information about changes in the sulfur metabolism of the host induced by the parasite and about the extension of the infection into visibly uninfected plant tissue. Furthermore, XANES spectra of microbial mats from sulfidic caves were measured. These mats are dominated by microbial groups involved in cycling sulfur. Additionally, the influence of sulfate deprivation and H 2 S exposure on sulfur compounds in onion was investigated. To gain an insight into the thermal degradation of organic material the influence of roasting of sulfur compounds in coffee beans was studied. (orig.)

  18. Methods in carbon K-edge NEXAFS: Experiment and analysis

    International Nuclear Information System (INIS)

    Watts, B.; Thomsen, L.; Dastoor, P.C.

    2006-01-01

    Near-edge X-ray absorption spectroscopy (NEXAFS) is widely used to probe the chemistry and structure of surface layers. Moreover, using ultra-high brilliance polarised synchrotron light sources, it is possible to determine the molecular alignment of ultra-thin surface films. However, the quantitative analysis of NEXAFS data is complicated by many experimental factors and, historically, the essential methods of calibration, normalisation and artefact removal are presented in the literature in a somewhat fragmented manner, thus hindering their integrated implementation as well as their further development. This paper outlines a unified, systematic approach to the collection and quantitative analysis of NEXAFS data with a particular focus upon carbon K-edge spectra. As a consequence, we show that current methods neglect several important aspects of the data analysis process, which we address with a combination of novel and adapted techniques. We discuss multiple approaches in solving the issues commonly encountered in the analysis of NEXAFS data, revealing the inherent assumptions of each approach and providing guidelines for assessing their appropriateness in a broad range of experimental situations

  19. Fe K-edge XANES of Maya blue pigment

    Science.gov (United States)

    Río, M. Sánchez del; Sodo, A.; Eeckhout, S. G.; Neisius, T.; Martinetto, P.; Dooryhée, E.; Reyes-Valerio, C.

    2005-08-01

    The utilization of techniques used in Materials Science for the characterization of artefacts of interest for cultural heritage is getting more and more attention nowadays. One of the products of the ancient Maya chemistry is the "Maya blue" pigment, made with natural indigo and palygorskite. This pigment is different from any other pigment used in other parts of the world. It is durable and acid-resistant, and still keeps many secrets to scientists even though it has been studied for more than 50 years. Although the pigment is basically made of palygorskite Si8(Mg2Al2)O20(OH)2(OH2)4.4H2O and an organic colourant (indigo: C16H10N2O2), a number of other compounds have been found in previous studies on archaeological samples, like other clays and minerals, iron nanoparticles, iron oxides, impurities of transition metals (Cr, Mn, Ti, V), etc. We measured at the ESRF ID26 beamline the Fe K-edge XANES spectra of the blue pigment in ancient samples. They are compared to XANES spectra of Maya blue samples synthesized under controlled conditions, and iron oxides usually employed as pigments (hematite and goethite). Our results show that the iron found in ancient Maya blue pigment is related to the Fe exchanged in the palygorskite clay. We did not find iron in metallic form or goethite in archaeological Maya blue.

  20. Fe K-edge XANES of Maya blue pigment

    International Nuclear Information System (INIS)

    Rio, M. Sanchez del; Sodo, A.; Eeckhout, S.G.; Neisius, T.; Martinetto, P.; Dooryhee, E.; Reyes-Valerio, C.

    2005-01-01

    The utilization of techniques used in Materials Science for the characterization of artefacts of interest for cultural heritage is getting more and more attention nowadays. One of the products of the ancient Maya chemistry is the 'Maya blue' pigment, made with natural indigo and palygorskite. This pigment is different from any other pigment used in other parts of the world. It is durable and acid-resistant, and still keeps many secrets to scientists even though it has been studied for more than 50 years. Although the pigment is basically made of palygorskite Si 8 (Mg 2 Al 2 )O 20 (OH) 2 (OH 2 ) 4 .4H 2 O and an organic colourant (indigo: C 16 H 10 N 2 O 2 ), a number of other compounds have been found in previous studies on archaeological samples, like other clays and minerals, iron nanoparticles, iron oxides, impurities of transition metals (Cr, Mn, Ti, V), etc. We measured at the ESRF ID26 beamline the Fe K-edge XANES spectra of the blue pigment in ancient samples. They are compared to XANES spectra of Maya blue samples synthesized under controlled conditions, and iron oxides usually employed as pigments (hematite and goethite). Our results show that the iron found in ancient Maya blue pigment is related to the Fe exchanged in the palygorskite clay. We did not find iron in metallic form or goethite in archaeological Maya blue

  1. Fragmentation of HCl following excitation at the chlorine K edge

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, D.L.; Arrasate, M.E. [Univ. of Nevada, Las Vegas, NV (United States); Cotter, J.P. [Univ. of Nevada, Reno, NV (United States)] [and others

    1997-04-01

    A space-focused time-of-flight (TOF) mass spectrometer was used to study the relaxation dynamics of HCl following excitation in the vicinity of the Cl-K edge ({approximately}2.8 keV) using x-rays from B.L. 9.3.1. At the lowest resonant excitation to a {sigma}{sup *} antibonding orbital (1{sigma} {r_arrow} 6{sigma}), a significant fraction of the excited molecules decay by emission of a neutral H atom. While neutral-H emission has been observed for shallow core levels (e.g., Cl 2p in HCl), the authors believe this to be the first observation of neutral-atom emission as a significant decay channel following resonant excitation of a deep core hole. The dissociation of neutral hydrogen atoms raises the issue of how effectively dissociation competes with Auger decay in the relaxation of these deep core levels (i.e., Cl 1s). Graphical evidence is presented to support the dissociation agrument. In addition, trends in fractional ion yields from Photo-Ion Photo-Ion COincidence (PIPICO) spectra suggest the presence of post-collision interaction (PCI). While, electron spectroscopy studies are required to confirm the observation of this effect, the authors believe this to be the first evidence of PCI moderated dissociation in molecules.

  2. Tungsten anode tubes with K-edge filters for mammography

    Energy Technology Data Exchange (ETDEWEB)

    Beaman, S.; Lillicrap, S.C. (Wessex Regional Medical Physics Service, Bath (UK)); Price, J.L. (Jarvis Screening Centre, Guildford (UK))

    1983-10-01

    Optimum X-ray energies for mammography have previously been calculated using the maximum signal to noise ratio (SNR) per unit dose to the breast, or the minimum exposure for constant SNR. Filters having absorption edges at appropriate energy positions have been used to modify the shape of tungsten anode spectra towards the calculated optimum. The suitability of such spectra for practical use has been assessed by comparing the film image quality and the incident breast dose obtained using a K-edge filtered tungsten anode tube with that obtained using a molybdenum anode. Image quality has been assessed by using a 'random' phantom and by comparing mammograms where one breast was radiographed using a filtered tungsten anode tube and the other using a standard molybdenum anode unit. Relative breast doses were estimated from both ionisation chamber measurements with a phantom and thermoluminescent dosimetry measurements on the breast. Film image quality assessment indicated that the filtered tungsten anode tube gave results not significantly different from those obtained with a molybdenum anode tube for a tissue thickness of about 4 cm and which were better for larger breast thicknesses. Doses could be reduced to between one-half and one-third with the filtered tungsten anode tube.

  3. Tungsten anode tubes with K-edge filters for mammography

    International Nuclear Information System (INIS)

    Beaman, S.; Lillicrap, S.C.; Price, J.L.

    1983-01-01

    Optimum X-ray energies for mammography have previously been calculated using the maximum signal to noise ratio (SNR) per unit dose to the breast, or the minimum exposure for constant SNR. Filters having absorption edges at appropriate energy positions have been used to modify the shape of tungsten anode spectra towards the calculated optimum. The suitability of such spectra for practical use has been assessed by comparing the film image quality and the incident breast dose obtained using a K-edge filtered tungsten anode tube with that obtained using a molybdenum anode. Image quality has been assessed by using a 'random' phantom and by comparing mammograms where one breast was radiographed using a filtered tungsten anode tube and the other using a standard molybdenum anode unit. Relative breast doses were estimated from both ionisation chamber measurements with a phantom and thermoluminescent dosimetry measurements on the breast. Film image quality assessment indicated that the filtered tungsten anode tube gave results not significantly different from those obtained with a molybdenum anode tube for a tissue thickness of abut 4 cm and which were better for larger breast thicknesses. Doses could be reduced to between one-half and one-third with the filtered tungsten anode tube. (U.K.)

  4. Fe K-edge XANES of Maya blue pigment

    Energy Technology Data Exchange (ETDEWEB)

    Rio, M. Sanchez del [ESRF, Experiments Division, B.P. 220, F-38043, Grenoble Cedex (France)]. E-mail: srio@esrf.fr; Sodo, A. [ESRF, Experiments Division, B.P. 220, F-38043, Grenoble Cedex (France); Eeckhout, S.G. [ESRF, Experiments Division, B.P. 220, F-38043, Grenoble Cedex (France); Neisius, T. [ESRF, Experiments Division, B.P. 220, F-38043, Grenoble Cedex (France); Martinetto, P. [Laboratoire de Cristallographie, CNRS, Grenoble B.P. 166, F-38042, Grenoble Cedex 09 (France); Dooryhee, E. [Laboratoire de Cristallographie, CNRS, Grenoble B.P. 166, F-38042, Grenoble Cedex 09 (France); Reyes-Valerio, C. [INAH, Mexico DF (Mexico)

    2005-08-15

    The utilization of techniques used in Materials Science for the characterization of artefacts of interest for cultural heritage is getting more and more attention nowadays. One of the products of the ancient Maya chemistry is the 'Maya blue' pigment, made with natural indigo and palygorskite. This pigment is different from any other pigment used in other parts of the world. It is durable and acid-resistant, and still keeps many secrets to scientists even though it has been studied for more than 50 years. Although the pigment is basically made of palygorskite Si{sub 8}(Mg{sub 2}Al{sub 2})O{sub 20}(OH){sub 2}(OH{sub 2}){sub 4}.4H{sub 2}O and an organic colourant (indigo: C{sub 16}H{sub 10}N{sub 2}O{sub 2}), a number of other compounds have been found in previous studies on archaeological samples, like other clays and minerals, iron nanoparticles, iron oxides, impurities of transition metals (Cr, Mn, Ti, V), etc. We measured at the ESRF ID26 beamline the Fe K-edge XANES spectra of the blue pigment in ancient samples. They are compared to XANES spectra of Maya blue samples synthesized under controlled conditions, and iron oxides usually employed as pigments (hematite and goethite). Our results show that the iron found in ancient Maya blue pigment is related to the Fe exchanged in the palygorskite clay. We did not find iron in metallic form or goethite in archaeological Maya blue.

  5. A new high temperature reactor for operando XAS: Application for the dry reforming of methane over Ni/ZrO2 catalyst

    Science.gov (United States)

    Aguilar-Tapia, Antonio; Ould-Chikh, Samy; Lahera, Eric; Prat, Alain; Delnet, William; Proux, Olivier; Kieffer, Isabelle; Basset, Jean-Marie; Takanabe, Kazuhiro; Hazemann, Jean-Louis

    2018-03-01

    The construction of a high-temperature reaction cell for operando X-ray absorption spectroscopy characterization is reported. A dedicated cell was designed to operate as a plug-flow reactor using powder samples requiring gas flow and thermal treatment at high temperatures. The cell was successfully used in the reaction of dry reforming of methane (DRM). We present X-ray absorption results in the fluorescence detection mode on a 0.4 wt. % Ni/ZrO2 catalyst under realistic conditions at 750 °C, reproducing the conditions used for a conventional dynamic microreactor for the DRM reaction. The setup includes a gas distribution system that can be fully remotely operated. The reaction cell offers the possibility of transmission and fluorescence detection modes. The complete setup dedicated to the study of catalysts is permanently installed on the Collaborating Research Groups French Absorption spectroscopy beamline in Material and Environmental sciences (CRG-FAME) and French Absorption spectroscopy beamline in Material and Environmental sciences at Ultra-High Dilution (FAME-UHD) beamlines (BM30B and BM16) at the European Synchrotron Radiation Facility in Grenoble, France.

  6. A new high temperature reactor for operando XAS: Application for the dry reforming of methane over Ni/ZrO2 catalyst

    KAUST Repository

    Aguilar Tapia, Antonio

    2018-03-22

    The construction of a high-temperature reaction cell for operando X-ray absorption spectroscopy characterization is reported. A dedicated cell was designed to operate as a plug-flow reactor using powder samples requiring gas flow and thermal treatment at high temperatures. The cell was successfully used in the reaction of dry reforming of methane (DRM). We present X-ray absorption results in the fluorescence detection mode on a 0.4 wt. % Ni/ZrO2 catalyst under realistic conditions at 750 °C, reproducing the conditions used for a conventional dynamic microreactor for the DRM reaction. The setup includes a gas distribution system that can be fully remotely operated. The reaction cell offers the possibility of transmission and fluorescence detection modes. The complete setup dedicated to the study of catalysts is permanently installed on the Collaborating Research Groups French Absorption spectroscopy beamline in Material and Environmental sciences (CRG-FAME) and French Absorption spectroscopy beamline in Material and Environmental sciences at Ultra-High Dilution (FAME-UHD) beamlines (BM30B and BM16) at the European Synchrotron Radiation Facility in Grenoble, France.

  7. Strong excitonic interactions in the oxygen K-edge of perovskite oxides

    Energy Technology Data Exchange (ETDEWEB)

    Tomita, Kota; Miyata, Tomohiro [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan); Olovsson, Weine [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan)

    2017-07-15

    Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO{sub 3}, SrTiO{sub 3}, and BaTiO{sub 3}, together with reference oxides, MgO, CaO, SrO, BaO, and TiO{sub 2}, were investigated using a first-principles Bethe–Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti–O–Ti bonds. - Highlights: • Excitonic interaction in oxygen-K edge is investigated. • Strong excitonic interaction is found in the oxygen-K edge of perovskite oxides. • The strong excitonic interaction is ascribed to the low-dimensional and confined electronic structure.

  8. Hydrogen bonding interaction of small acetaldehyde clusters studied with core-electron excitation spectroscopy in the oxygen K-edge region

    Science.gov (United States)

    Tabayashi, K.; Chohda, M.; Yamanaka, T.; Tsutsumi, Y.; Takahashi, O.; Yoshida, H.; Taniguchi, M.

    2010-06-01

    In order to examine inner-shell electron excitation spectra of molecular clusters with strong multipole interactions, excitation spectra and time-of-flight (TOF) fragment-mass spectra of small acetaldehyde (AA) clusters have been studied under the beam conditions. The TOF spectra at the oxygen K-edge region showed an intense growth of the protonated clusters, MnH+ (M=CH3CHO) in the cluster beams. "cluster-specific" excitation spectra could be generated by monitoring partial-ion-yields of the protonated clusters. The most intense band of O1s→π*CO was found to shift to a higher energy by 0.15 eV relative to the monomer band upon clusterization. X-ray absorption spectra (XAS) were also calculated for the representative dimer configurations using a computer modelling program based on the density functional theory. The XAS prediction for the most stable (non-planar) configuration was found to give a close comparison with the cluster-band shift observed. The band shift was interpreted as being due to the HOMO-LUMO interaction within the complex where a contribution of vibrationally blue-shifting hydrogen bonding could be identified.

  9. Application of X-ray K-edge densitometry in D and D operations

    International Nuclear Information System (INIS)

    Jensen, T.; Aljundi, T.; Gray, J.N.; Iowa State Univ., Ames, IA

    1998-01-01

    K-edge densitometry is a nondestructive assay technique which provides accurate measurement of heavy metal contamination in pipes, containers, and other items encountered in D and D operations. A prototype mobile K-edge instrument has been built and demonstrated in several applications. Results from measurements of uranium in pipes and spent reactor fuel plates, and quantification of mercury and lead in waste drums are presented. In this report the authors briefly describe the theory behind K-edge densitometry. They follow that with a description of the prototype system they have developed, and a presentation of results from demonstrations of this system. They conclude with a discussion of the potential for application of K-edge analysis in D and D operations

  10. Ion charge-state production and photoionization near the K edge in argon and potassium

    International Nuclear Information System (INIS)

    Berry, H.G.; Azuma, Y.; Cowan, P.L.; Gemmell, D.S.; LeBrun, T.; Amusia, M.Y.

    1994-01-01

    We have measured the time-of-flight charge distributions of ions of argon and potassium following x-ray absorption at energies near their respective K edges. We confirm previously observed enhancements of the higher charge states at energies up to 100 eV below the K edge in argon. The measurements confirm recent calculations suggesting excitation of a virtual 1s state in this energy range

  11. Carbon K-edge X-ray absorption spectroscopy and time-dependent density functional theory examination of metal-carbon bonding in metallocene dichlorides.

    Science.gov (United States)

    Minasian, Stefan G; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Kozimor, Stosh A; Martin, Richard L; Shuh, David K; Tyliszczak, Tolek; Vernon, Louis J

    2013-10-02

    Metal-carbon covalence in (C5H5)2MCl2 (M = Ti, Zr, Hf) has been evaluated using carbon K-edge X-ray absorption spectroscopy (XAS) as well as ground-state and time-dependent hybrid density functional theory (DFT and TDDFT). Differences in orbital mixing were determined experimentally using transmission XAS of thin crystalline material with a scanning transmission X-ray microscope (STXM). Moving down the periodic table (Ti to Hf) has a marked effect on the experimental transition intensities associated with the low-lying antibonding 1a1* and 1b2* orbitals. The peak intensities, which are directly related to the M-(C5H5) orbital mixing coefficients, increase from 0.08(1) and 0.26(3) for (C5H5)2TiCl2 to 0.31(3) and 0.75(8) for (C5H5)2ZrCl2, and finally to 0.54(5) and 0.83(8) for (C5H5)2HfCl2. The experimental trend toward increased peak intensity for transitions associated with 1a1* and 1b2* orbitals agrees with the calculated TDDFT oscillator strengths [0.10 and 0.21, (C5H5)2TiCl2; 0.21 and 0.73, (C5H5)2ZrCl2; 0.35 and 0.69, (C5H5)2HfCl2] and with the amount of C 2p character obtained from the Mulliken populations for the antibonding 1a1* and 1b2* orbitals [8.2 and 23.4%, (C5H5)2TiCl2; 15.3 and 39.7%, (C5H5)2ZrCl2; 20.1 and 50.9%, (C5H5)2HfCl2]. The excellent agreement between experiment, theory, and recent Cl K-edge XAS and DFT measurements shows that C 2p orbital mixing is enhanced for the diffuse Hf (5d) and Zr (4d) atomic orbitals in relation to the more localized Ti (3d) orbitals. These results provide insight into how changes in M-Cl orbital mixing within the metallocene wedge are correlated with periodic trends in covalent bonding between the metal and the cyclopentadienide ancillary ligands.

  12. Field demonstration of a portable, X-ray, K-edge heavy-metal detector

    International Nuclear Information System (INIS)

    Jensen, T.; Aljundi, T.; Whitmore, C.; Zhong, H.; Gray, J.N.

    1997-01-01

    Under the Characterization, Monitoring, and Sensor Technology Crosscutting Program, the authors have designed and built a K-edge heavy metal detector that measures the level of heavy metal contamination inside closed containers in a nondestructive, non-invasive way. The device employs a volumetric technique that takes advantage of the X-ray absorption characteristics of heavy elements, and is most suitable for characterization of contamination inside pipes, processing equipment, closed containers, and soil samples. The K-edge detector is a fast, efficient, and cost-effective in situ characterization tool. More importantly, this device will enhance personnel safety while characterizing radioactive and toxic waste. The prototype K-edge system was operated at the Materials and Chemistry Laboratory User Facility at the Oak Ridge K-25 Site during February 1997. Uranium contaminated pipes and valves from a UF 6 feed facility were inspected using the K-edge technique as well as a baseline nondestructive assay method. Operation of the K-edge detector was demonstrated for uranium contamination ranging from 10 to 6,000 mg/cm 2 and results from the K-edge measurements were found to agree very well with nondestructive assay measurements

  13. Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

    Science.gov (United States)

    Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

    2017-07-01

    Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. X-ray K-edge analysis of drain lines in Wilhelm Hall, Ames Laboratory

    International Nuclear Information System (INIS)

    Jensen, T.; Whitmore, C.; Iowa State Univ., Ames, IA

    1999-01-01

    From August 12--27, 1998 X-ray K-edge measurements were made on drain lines in seven rooms in Wilhelm Hall, Ames Laboratory. The purpose of these measurements was to determine the extent of thorium (and other heavy metal) contamination inside these pipes. The K-edge method is a noninvasive inspection technique that can provide accurate quantification of heavy metal contamination interior to an object. Of the seven drain lines inspected, one was found to have no significant contamination, three showed significant thorium deposits, two showed mercury contamination, and one line was found to contain mercury, thorium and uranium. The K-edge measurements were found to be consistent with readings from hand-held survey meters, and provided much greater detail on the location and amount of heavy metal contamination

  15. Theoretical Mn K-edge XANES for Li2MnO3: DFT + U study

    International Nuclear Information System (INIS)

    Tamura, Tomoyuki; Ohwaki, Tsukuru; Ito, Atsushi; Ohsawa, Yasuhiko; Kobayashi, Ryo; Ogata, Shuji

    2012-01-01

    Spectral features of Mn K-edge x-ray absorption near-edge structure (XANES) for Li 2 MnO 3 were calculated using the first-principles full projector augmented wave method with the general gradient approximation plus U method. We demonstrated that the U parameter affects the spectral features in the pre-edge region while it does not affect those in the major absorption region. From the comparison with the experimental spectra and those of reference compounds, we showed that the spectral features of Mn K-edge XANES and the differences in the valence state can be reproduced well. (paper)

  16. Mammographic x-ray unit kilovoltage test tool based on k-edge absorption effect.

    Science.gov (United States)

    Napolitano, Mary E; Trueblood, Jon H; Hertel, Nolan E; David, George

    2002-09-01

    A simple tool to determine the peak kilovoltage (kVp) of a mammographic x-ray unit has been designed. Tool design is based on comparing the effect of k-edge discontinuity of the attenuation coefficient for a series of element filters. Compatibility with the mammography accreditation phantom (MAP) to obtain a single quality control film is a second design objective. When the attenuation of a series of sequential elements is studied simultaneously, differences in the absorption characteristics due to the k-edge discontinuities are more evident. Specifically, when the incident photon energy is higher than the k-edge energy of a number of the elements and lower than the remainder, an inflection may be seen in the resulting attenuation data. The maximum energy of the incident photon spectra may be determined based on this inflection point for a series of element filters. Monte Carlo photon transport analysis was used to estimate the photon transmission probabilities for each of the sequential k-edge filter elements. The photon transmission corresponds directly to optical density recorded on mammographic x-ray film. To observe the inflection, the element filters chosen must have k-edge energies that span a range greater than the expected range of the end point energies to be determined. For the design, incident x-ray spectra ranging from 25 to 40 kVp were assumed to be from a molybdenum target. Over this range, the k-edge energy changes by approximately 1.5 keV between sequential elements. For this design 21 elements spanning an energy range from 20 to 50 keV were chosen. Optimum filter element thicknesses were calculated to maximize attenuation differences at the k-edge while maintaining optical densities between 0.10 and 3.00. Calculated relative transmission data show that the kVp could be determined to within +/-1 kV. To obtain experimental data, a phantom was constructed containing 21 different elements placed in an acrylic holder. MAP images were used to determine

  17. Image reconstruction for x-ray K-edge imaging with a photon counting detector

    Science.gov (United States)

    Meng, Bo; Cong, Wenxiang; Xi, Yan; Wang, Ge

    2014-09-01

    Contrast agents with high-Z elements have K-absorption edges which significantly change X-ray attenuation coefficients. The K-edge characteristics is different for various kinds of contrast agents, which offers opportunities for material decomposition in biomedical applications. In this paper, we propose a new K-edge imaging method, which not only quantifies a distribution of a contrast agent but also provides an optimized contrast ratio. Our numerical simulation tests demonstrate the feasibility and merits of the proposed methodology.

  18. Si K-edge XANES study of SiOxCyHz amorphous polymeric materials

    International Nuclear Information System (INIS)

    Chaboy, J.; Barranco, A.; Yanguas-Gil, A.; Yubero, F.; Gonzalez-Elipe, A. R.

    2007-01-01

    This work reports on x-ray absorption spectroscopy study at the Si K edge of several amorphous SiO x C y H z polymers prepared by plasma-enhanced chemical-vapor deposition with different C/O ratios. SiO 2 and SiC have been used as reference materials. The comparison of the experimental Si K-edge x-ray absorption near-edge structure spectra with theoretical computations based on multiple scattering theory has allowed us to monitor the modification of the local coordination around Si as a function of the overall C/O ratio in this kind of materials

  19. Mammographic x-ray unit kilovoltage test tool based on k-edge absorption effect

    International Nuclear Information System (INIS)

    Napolitano, Mary E.; Trueblood, Jon H.; Hertel, Nolan E.; David, George

    2002-01-01

    A simple tool to determine the peak kilovoltage (kVp) of a mammographic x-ray unit has been designed. Tool design is based on comparing the effect of k-edge discontinuity of the attenuation coefficient for a series of element filters. Compatibility with the mammography accreditation phantom (MAP) to obtain a single quality control film is a second design objective. When the attenuation of a series of sequential elements is studied simultaneously, differences in the absorption characteristics due to the k-edge discontinuities are more evident. Specifically, when the incident photon energy is higher than the k-edge energy of a number of the elements and lower than the remainder, an inflection may be seen in the resulting attenuation data. The maximum energy of the incident photon spectra may be determined based on this inflection point for a series of element filters. Monte Carlo photon transport analysis was used to estimate the photon transmission probabilities for each of the sequential k-edge filter elements. The photon transmission corresponds directly to optical density recorded on mammographic x-ray film. To observe the inflection, the element filters chosen must have k-edge energies that span a range greater than the expected range of the end point energies to be determined. For the design, incident x-ray spectra ranging from 25 to 40 kVp were assumed to be from a molybdenum target. Over this range, the k-edge energy changes by approximately 1.5 keV between sequential elements. For this design 21 elements spanning an energy range from 20 to 50 keV were chosen. Optimum filter element thicknesses were calculated to maximize attenuation differences at the k-edge while maintaining optical densities between 0.10 and 3.00. Calculated relative transmission data show that the kVp could be determined to within ±1 kV. To obtain experimental data, a phantom was constructed containing 21 different elements placed in an acrylic holder. MAP images were used to determine

  20. Plutonium isotopic assay of reprocessing product solutions in the KfK K-edge densitometer

    International Nuclear Information System (INIS)

    Eberle, H.; Ottmar, H.; Matussek, P.

    1985-04-01

    The KfK K-edge densiometer, designed for accurate element concentration measurements using the technique of X-ray absorptiometry at the K absorption edge, provides as an additional option the possibility to determine the isotopic composition of freshly separated plutonium from an gamma-spectrometric analysis of its self-radiation. This report describes the underlying methodology and experimental procedures for the isotopic analysis in the K-edge densitometer. The paper also presents and discusses the experimental results so far obtained from routine measurements on reprocessing product solutions. (orig.)

  1. Chemical shift of Mn and Cr K-edges in X-ray absorption

    Indian Academy of Sciences (India)

    ... Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Bulletin of Materials Science; Volume 36; Issue 6. Chemical shift of Mn and Cr K-edges in X-ray absorption spectroscopy with synchrotron radiation. D Joseph A K Yadav S N Jha D Bhattacharyya. Volume 36 Issue 6 November 2013 pp ...

  2. A PEM fuel cell for in situ XAS studies

    International Nuclear Information System (INIS)

    Wiltshire, Richard J.K.; King, Colin R.; Rose, Abigail; Wells, Peter P.; Hogarth, Martin P.; Thompsett, David; Russell, Andrea E.

    2005-01-01

    A miniature proton exchange membrane (PEM) fuel cell has been designed to enable in situ XAS investigations of the anode catalyst using fluorescence detection. The development of the cell is described, in particular the modifications required for elevated temperature operation and humidification of the feed gasses. The impact of the operating conditions is observed as an increase in the catalyst utilisation, which is evident in the EXAFS collected at the Pt L III and Ru K edges for a PtRu/C catalyst. The Pt component of the catalyst was found to be readily reduced by hydrogen in the fuel, while the Ru was only fully reduced under conditions of good gas flow and electrochemical contact. Under such conditions no evidence of O neighbours were found at the Ru edge. The results are interpreted in relation to the lack of surface sensitivity of the EXAFS method and indicate that the equilibrium coverage of O species on the Ru surface sites is too low to be observed using EXAFS

  3. Structural disorder and electronic hybridization in NicMg1-cO solid solutions probed by XANES at the oxygen K edge

    International Nuclear Information System (INIS)

    Chen Dongliang; Zhong Jun; Chu Wangsheng; Wu Ziyu; Kuzmin, Alexei; Mironova-Ulmane, Nina; Marcelli, Augusto

    2007-01-01

    A series of Ni c Mg 1-c O solid solutions has been studied for the first time looking at the structural disorder by means of x-ray absorption near-edge-structure (XANES) spectroscopy at the oxygen K edge. The experimental XANES signals were analysed within the full multiple scattering formalism and were interpreted taking into account clusters of up to 15 coordination shells around an absorbing oxygen atom. The substitution of nickel atoms by magnesium atoms results in a dramatic decrease of the empty density of states in the conduction band close to the Fermi level due to an exchange of the 3d(Ni)-2p(O) interaction with 3p(Mg)-2p(O). Besides, a simultaneous small decrease of the 3d(Ni)-2p(O) hybridization is also induced by the lattice expansion, determined by the difference in ionic radii between nickel and magnesium ions

  4. K- and L-edge X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) Determination of Differential Orbital Covalency (DOC) of Transition Metal Sites.

    Science.gov (United States)

    Baker, Michael L; Mara, Michael W; Yan, James J; Hodgson, Keith O; Hedman, Britt; Solomon, Edward I

    2017-08-15

    Continual advancements in the development of synchrotron radiation sources have resulted in X-ray based spectroscopic techniques capable of probing the electronic and structural properties of numerous systems. This review gives an overview of the application of metal K-edge and L-edge X-ray absorption spectroscopy (XAS), as well as K resonant inelastic X-ray scattering (RIXS), to the study of electronic structure in transition metal sites with emphasis on experimentally quantifying 3d orbital covalency. The specific sensitivities of K-edge XAS, L-edge XAS, and RIXS are discussed emphasizing the complementary nature of the methods. L-edge XAS and RIXS are sensitive to mixing between 3d orbitals and ligand valence orbitals, and to the differential orbital covalency (DOC), that is, the difference in the covalencies for different symmetry sets of the d orbitals. Both L-edge XAS and RIXS are highly sensitive to and enable separation of and donor bonding and back bonding contributions to bonding. Applying ligand field multiplet simulations, including charge transfer via valence bond configuration interactions, DOC can be obtained for direct comparison with density functional theory calculations and to understand chemical trends. The application of RIXS as a probe of frontier molecular orbitals in a heme enzyme demonstrates the potential of this method for the study of metal sites in highly covalent coordination sites in bioinorganic chemistry.

  5. Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

    DEFF Research Database (Denmark)

    Wolf, T. J. A.; Myhre, Rolf H.; Cryan, J. P.

    2017-01-01

    -edge soft X-ray absorption spectroscopy. As a hole forms in the n orbital during ππ*/nπ* internal conversion, the absorption spectrum at the heteroatom K-edge exhibits an additional resonance. We demonstrate the concept using the nucleobase thymine at the oxygen K-edge, and unambiguously show that ππ...

  6. In situ XAS study of Li{sub x}Ni{sub 0.7}Fe{sub 0.15}Co{sub 0.15}O{sub 2} cathode material

    Energy Technology Data Exchange (ETDEWEB)

    Mansour, A.N. [Naval Surface Warfare Center, West Bethesda, MD (United States); Croguennec, L.; Prado, G.; Delmas, C. [Inst. de Chimie de la Matiere Condensee de Bordeaus-CNRS and Ecole Nationale Superieure de Chimie et Physique de Bordeaux, Pesssac Cedex (France)

    2001-03-01

    We have examined the oxidation states and local atomic structures of Ni, Fe, and Co in Li{sub x}Ni{sub 0.7}Fe{sub 0.15}Co{sub 0.15}O{sub 2} as a function of Li content during the first charge in a Li//Li{sub x}Ni{sub 0.7}Fe{sub 0.15}Co{sub 0.}1{sub 5O2} nonaqueous cell. We show that the composition of the material in the pristine state is more accurately described by Li{sub 0.95}Ni(II){sub 0.09}Ni(III){sub 0.66}Fe(III){sub 0.15}Co(III){sub 0.15}O{sub 2}. Half Ni(II) resides in Li-vacant sites. Both Fe and Co substitute for Ni within the NiO{sub 2} slabs with no significant amounts of Fe or Co that can be attributed to Li-vacant sites. The local structure parameters are consistent with oxidation states observed on the basis of the XANES data. The Ni {kappa}-edge energy continuously shifts to a higher energy with decrease in Li content due to oxidation of Ni( II) to Ni( III) and Ni( III) to Ni( IV). After the complete oxidation of Ni( III) to Ni( IV), the Fe KAPPA(-edge energy begins to increase with further decrease in Li content indicating the oxidation of Fe( III) to Fe( IV). The Co )KAPPA-edge energy at half-height, on the other hand, is unchanged during the whole range of Li de-intercalation indicating that no significant change in the oxidation state of Co occurs upon the complete removal of Li. (au)

  7. Study of apical oxygen atoms in a spin-ladder cuprate compound by X-ray absorption spectroscopy near the Cu K edge

    Energy Technology Data Exchange (ETDEWEB)

    Hatterer, C.J.; Eustache, B.; Collin, L.; Beuran, C.F.; Partiot, C.; Germain, P.; Xu, X.Z.; Lagues, M. [CNRS, Paris (France). Surfaces et Supraconducteurs; Michalowicz, A. [Laboratoire de Physique des Milieux Desordonnes, Universite Paris XII Val-de-Marne, 61 avenue du general de Gaulle, 94010, Creteil Cedex (France)]|[LURE, Universite Paris Sud, 91405, Orsay Cedex (France); Moscovici, J. [Laboratoire de Physique des Milieux Desordonnes, Universite Paris XII Val-de-Marne, 61 avenue du general de Gaulle, 94010, Creteil Cedex (France); Deville Cavellin, C. [CNRS, Paris (France). Surfaces et Supraconducteurs]|[Laboratoire d`Electronique, Universite Paris XII Val-de-Marne, 61 av. du general de Gaulle, 94010, Creteil Cedex (France); Traverse, A. [LURE, Universite Paris Sud, 91405, Orsay Cedex (France)

    1997-04-01

    The structure of high-T{sub c} superconducting cuprate compounds is based on CuO{sub 2} planes alternating with blocks that behave as charge reservoirs. The apical oxygen atoms which belong to these reservoirs are suspected to play a role in the mechanism of superconductivity. It thus seems necessary to measure the amount of apical oxygen atoms in various compounds, as a function of the superconducting properties. Polarisation dependent X-ray absorption spectroscopy (XAS) measurements were performed near the Cu K-edge on three types of phases. We collected information about the neighbourhood of the copper atom in the cuprate planes and in the direction perpendicular to these planes. Two of these phases have well known structures: Bi2212 in which copper atoms are on a pyramidal site and infinite layer phase, a square planar cuprate without apical oxygen. We used the obtained results as reference data to study a new copper-rich phase related to the spin-ladder series. (orig.)

  8. Visualization of pigment distributions in paintings using synchrotron K-edge imaging

    International Nuclear Information System (INIS)

    Krug, K.; Dik, J.; Leeuw, M.; Whitson, A. den; Tortora, J.; Coan, P.; Nemoz, C.; Bravin, A.

    2006-01-01

    X-ray radiography plays an important role in the study of artworks and archaeological artifacts. The internal structure of objects provides information on genesis, authenticity, painting technique, material condition and conservation history. Transmission radiography, however, does not provide information on the exact elemental composition of objects and heavy metal layers can shadow or obscure the ones including lighter elements. This paper presents the first application of synchrotron-based K-edge absorption imaging applied to paintings. Using highly monochromatic radiation, K-edge imaging is used to obtain elemental distribution images over large areas. Such elemental maps visualize the distribution of an individual pigment throughout the paint stratigraphy. This provides color information on hidden paint layers, which is of great relevance to art historians and painting conservators. The main advantage is the quick data acquisition time and the sensitivity to elements throughout the entire paint stratigraphy. The examination of a test painting is shown and further instrumental developments are discussed. (orig.)

  9. Iodine K-edge EXAFS analysis of iodide ion-cyclodextrin inclusion complexes in aqueous solution

    International Nuclear Information System (INIS)

    Kaneko, T; Ueda, M; Nagamatsu, S; Konishi, T; Fujikawa, T; Mizumaki, M

    2009-01-01

    We study the structure of inclusion complexes of α-, β-, γ-cyclodextrin with mono-iodide ion in aqueous solution by means of iodine K-edge EXAFS spectroscopy. The analysis is based on the assumption that two kinds of iodide ions exist in KI-cyclodextrin aqueous solution i.e. hydrated mono-iodide ions and one-one mono-iodide-cyclodextrin inclusion complexes. In KI-α-cyclodextrin system, iodine K-edge EXAFS analyse show that the average coordination number of the oxygen atoms in water molecules in the first hydration shell decreases as the fraction of included ions increases. This result suggests that dehydration process accompanies the formation of the inclusion complex. This is not found in the case of β-cyclodextrin, indicating that in this case the iodide ions are included together with the whole first hydration shell.

  10. Phosphorus Speciation of Forest-soil Organic Surface Layers using P K-edge XANES Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    J Prietzel; J Thieme; D Paterson

    2011-12-31

    The phosphorus (P) speciation of organic surface layers from two adjacent German forest soils with different degree of water-logging (Stagnosol, Rheic Histosol) was analyzed by P K-edge XANES and subsequent Linear Combination Fitting. In both soils, {approx}70% of the P was inorganic phosphate and {approx}30% organic phosphate; reduced P forms such as phosphonate were absent. The increased degree of water-logging in the Histosol compared to the Stagnosol did not affect P speciation.

  11. Solution XAS Analysis for Exploring the Active Species in Homogeneous Vanadium Complex Catalysis

    Science.gov (United States)

    Nomura, Kotohiro; Mitsudome, Takato; Tsutsumi, Ken; Yamazoe, Seiji

    2018-06-01

    Selected examples in V K-edge X-ray Absorption Near Edge Structure (XANES) analysis of a series of vanadium complexes containing imido ligands (possessing metal-nitrogen double bond) in toluene solution have been introduced, and their pre-edge and the edge were affected by their structures and nature of ligands. Selected results in exploring the oxidation states of the active species in ethylene dimerization/polymerization using homogeneous vanadium catalysts [consisting of (imido)vanadium(V) complexes and Al cocatalysts] by X-ray absorption spectroscopy (XAS) analyses have been introduced. It has been demonstrated that the method should provide more clear information concerning the active species in situ, especially by combination with the other methods (NMR and ESR spectra, X-ray crystallographic analysis, and reaction chemistry), and should be powerful tool for study of catalysis mechanism as well as for the structural analysis in solution.

  12. X-ray absorption spectroscopic studies of the blue copper site: Metal and ligand K-edge studies to probe the origin of the EPR hyperfine splitting in plastocyanin

    International Nuclear Information System (INIS)

    Shadle, S.E.; Penner-Hahn, J.E.; Schugar, H.J.; Hedman, B.; Hodgson, K.O.; Solomon, E.I.

    1993-01-01

    X-ray absorption spectra for the oxidized blue copper protein plastocyanin and several Cu(II) model complexes have been measured at both the Cu K-edge and the ligand K-edges (Cl and S) in order to elucidate the source of the small parallel hyperfine splitting in the EPR spectra of blue copper centers. Assignment and analysis of a feature in the Cu K-edge X-ray absorption spectrum at ∼8,987 eV as the Cu 1s → 4p + ligand-to-metal charge-transfer shakedown transition has allowed for quantitation of 4p mixing into the ground-state wave function as reflected in the 1s →3d (+4p) intensity at ∼8,979 eV. The results show that distorted tetrahedral (D 2d )CuCl 4 2- is characterized by z mixing, while plastocyanin has only Cu 4p xy mixing. Thus, the small parallel hyperfine splitting in the EPR spectra of D 2d CuCl 4 2- and of oxidized plastocyanin cannot be explained by 12% 4p z mixing into the 3d x 2 -y 2 orbital as had been previously postulated. Data collected at the Cl K-edge for CuCl 4 2- show that the intensity of the ligand pre-edge feature at ∼2,820 eV reflects the degree of covalency between the metal half-occupied orbital and the ligands. The data show that D 2d CuCl 4 2- is not unusually covalent. The source of the small parallel splitting in the EPR of D 2d CuCl 4 2- is discussed. Experiments at the S K-edge (∼2,470 eV) show that plastocyanin is characterized by a highly covalent Cu-S(cysteine) bond relative to the cupric-thiolate model complex [Cu(tet b)(o-SC 6 H 4 CO 2 )]·H 2 O. The XAS results demonstrate that the small parallel hyperfine splitting in the EPR spectra of blue copper sites reflects the high degree of covalency of the copper-thiolate bond. 34 refs., 12 figs., 3 tabs

  13. Parameters Influencing Sulfur Speciation in Environmental Samples Using Sulfur K-Edge X-Ray Absorption Near-Edge Structure

    Directory of Open Access Journals (Sweden)

    Siwatt Pongpiachan

    2012-01-01

    Full Text Available This paper aims to enhance the credibility of applying the sulfur K-edge XANES spectroscopy as an innovative “fingerprint” for characterizing environmental samples. The sensitivities of sulfur K-edge XANES spectra of ten sulfur compound standards detected by two different detectors, namely, Lytle detector (LyD and Germanium detector (GeD, were studied and compared. Further investigation on “self-absorption” effect revealed that the maximum sensitivities of sulfur K-edge XANES spectra were achieved when diluting sulfur compound standards with boron nitride (BN at the mixing ratio of 0.1%. The “particle-size” effect on sulfur K-edge XANES spectrum sensitivities was examined by comparing signal-to-noise ratios of total suspended particles (TSP and particulate matter of less than 10 millionths of a meter (PM10 collected at three major cities of Thailand. The analytical results have demonstrated that the signal-to-noise ratios of sulfur K-edge XANES spectra were positively correlated with sulfate content in aerosols and negatively connected with particle sizes. The combination of hierarchical cluster analysis (HCA and principal component analysis (PCA has proved that sulfur K-edge XANES spectrum can be used to characterize German terrestrial soils and Andaman coastal sediments. In addition, this study highlighted the capability of sulfur K-edge XANES spectra as an innovative “fingerprint” to distinguish tsunami backwash deposits (TBD from typical marine sediments (TMS.

  14. Actinide L-line ED-XRF and Hybrid K-edge Densitometer Spectra Processing

    International Nuclear Information System (INIS)

    Esbelin, E.

    2015-01-01

    The analysis laboratory in the CEA Atalante complex at Marcoule (France) performs numerous R and D studies carried out in glove-boxes or in hot cells. Most of the samples are measured in liquid phase, aqueous or organic. The concentration of the main actinides of interest (U, Np, Pu, Am and Cm) are determined by XRF in a hot cell via their L-line X-ray between 13 and 15 keV. In order to limit the counting rate of many radioactive emitters (X-ray and gamma emitters) in the analysis solution and the continuous spectrum, a graphite monochromator is placed between the sample and detector. Commercial or free, the software packages available for processing X-ray spectra are designed and dedicated to a specific instrument and/or do not take into account the specific feature of our system, in other words, the presence of a monochromator. Therefore, a new X-ray analysis software programme was developed for this particular system which takes into account matrix effects corrections. For sample with U and/or Pu in high concentrations, the hybrid K-edge densitometer is used. A new software programme was also developed. For K-edge densitometry spectra processing, no calibration process is used. Spectra processing is based on theoretical equation and uses XCOM database for mass attenuation coefficients. Measured spectra on K-edge densitometer of Rokkasho Safeguards Analytical Laboratory were processed with this software and a very good agreement was found with IDTIMS results. The new graphical user interface allows to manually correct the defined edge. For the XRF spectra processing, new algorithms are used to define the base line and to find/integrate peaks. With these two analytical devices in laboratory, U and Pu concentrations can be measured from 0.5 mg/l to several hundred of g/l. (author)

  15. Comparison of iodine K-edge subtraction and fluorescence subtraction imaging in an animal system

    International Nuclear Information System (INIS)

    Zhang, H.; Zhu, Y.; Bewer, B.; Zhang, L.; Korbas, M.; Pickering, I.J.; George, G.N.; Gupta, M.; Chapman, D.

    2008-01-01

    K-Edge Subtraction (KES) utilizes the discontinuity in the X-ray absorption across the absorption edge of the selected contrast element and creates an image of the projected density of the contrast element from two images acquired just above and below the K-edge of the contrast element. KES has proved to be powerful in coronary angiography, micro-angiography, bronchography, and lymphatic imaging. X-ray fluorescence imaging is a successful technique for the detection of dilute quantities of elements in specimens. However, its application at high X-ray energies (e.g. at the iodine K-edge) is complicated by significant Compton background, which may enter the energy window set for the contrast material's fluorescent X-rays. Inspired by KES, Fluorescence Subtraction Imaging (FSI) is a technique for high-energy (>20 keV) fluorescence imaging using two different incident beam energies just above and below the absorption edge of a contrast element (e.g. iodine). The below-edge image can be assumed as a 'background' image, which includes Compton scatter and fluorescence from other elements. The above-edge image will contain nearly identical spectral content as the below-edge image but will contain the additional fluorescence of the contrast element. This imaging method is especially promising with thick objects with dilute contrast materials, significant Compton background, and/or competing fluorescence lines from other materials. A quality factor is developed to facilitate the comparison. The theoretical value of the quality factor sets the upper limit that an imaging method can achieve when the noise is Poisson limited. The measured value of this factor makes two or more imaging methods comparable. Using the Hard X-ray Micro-Analysis (HXMA) beamline at the Canadian Light Source (CLS), the techniques of FSI and KES were critically compared, with reference to radiation dose, image acquisition time, resolution, signal-to-noise ratios, and quality factor

  16. Spectral K-edge subtraction imaging of experimental non-radioactive barium uptake in bone.

    Science.gov (United States)

    Panahifar, Arash; Samadi, Nazanin; Swanston, Treena M; Chapman, L Dean; Cooper, David M L

    2016-12-01

    To evaluate the feasibility of using non-radioactive barium as a bone tracer for detection with synchrotron spectral K-edge subtraction (SKES) technique. Male rats of 1-month old (i.e., developing skeleton) and 8-month old (i.e., skeletally mature) were orally dosed with low dose of barium chloride (33mg/kg/day Ba 2+ ) for 4weeks. The fore and hind limbs were dissected for imaging in projection and computed tomography modes at 100μm and 52μm pixel sizes. The SKES method utilizes a single bent Laue monochromator to prepare a 550eV energy spectrum to encompass the K-edge of barium (37.441keV), for collecting both 'above' and 'below' the K-edge data sets in a single scan. The SKES has a very good focal size, thus limits the 'crossover' and motion artifacts. In juvenile rats, barium was mostly incorporated in the areas of high bone turnover such as at the growth plate and the trabecular surfaces, but also in the cortical bone as the animals were growing at the time of tracer administration. However, the adults incorporated approximately half the concentration and mainly in the areas where bone remodeling was predominant and occasionally in the periosteal and endosteal layers of the diaphyseal cortical bone. The presented methodology is simple to implement and provides both structural and functional information, after labeling with barium, on bone micro-architecture and thus has great potential for in vivo imaging of pre-clinical animal models of musculoskeletal diseases to better understand their mechanisms and to evaluate the efficacy of pharmaceuticals. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  17. XANES at the silicon k-edge in the kaolin-meta kaolin-geopolymer system

    International Nuclear Information System (INIS)

    Lima, F.T.; Silva, F.J.; Thaumaturgo, C.

    2005-01-01

    The geo polymer synthesis process optimization pretends to control the re logical and mechanical properties. The Al/Si ratio is the main variable that governs the geo polymerization process. This control occurs by changing temperature, pressure and chemical composition of the geo polymer. Thermal analysis (DTA/DSC), microscopic (SEM/TEM) and spectroscopic (FTIR, XRD, SAXS, EXAFS and XANES) techniques have been used to characterize these inorganic systems. In this work, XANES spectra of the k-edge silicon (Si) of the kaolin-meta kaolin-geo polymer are presented. The XANES spectra provides the oxidation state and structural information about the present studied atom: Silicon (Si). (author)

  18. The hybrid K-edge/K-XRF densitometer: Principles - design - performance

    International Nuclear Information System (INIS)

    Ottmar, H.; Eberle, H.

    1991-02-01

    The Euratom Safeguards Directorate (ESD) has recently installed a hybrid K-edge/K-XRF densitometer in a commerical reprocessing plant for the safeguarding of nuclear materials. This instrument, developed at KfK Karlsruhe, offers for the first time analytical measurement capabilities for timely on-site input accountancy verification. Lectures providing informations on measurement principles, instrument design features and performance data have been given to inspectors of ESD to make them familiar with the new instrument. This report summarizes the essential materials presented during these courses. (orig.) [de

  19. Sensitivity of photon-counting based K-edge imaging in X-ray computed tomography.

    Science.gov (United States)

    Roessl, Ewald; Brendel, Bernhard; Engel, Klaus-Jürgen; Schlomka, Jens-Peter; Thran, Axel; Proksa, Roland

    2011-09-01

    The feasibility of K-edge imaging using energy-resolved, photon-counting transmission measurements in X-ray computed tomography (CT) has been demonstrated by simulations and experiments. The method is based on probing the discontinuities of the attenuation coefficient of heavy elements above and below the K-edge energy by using energy-sensitive, photon counting X-ray detectors. In this paper, we investigate the dependence of the sensitivity of K-edge imaging on the atomic number Z of the contrast material, on the object diameter D , on the spectral response of the X-ray detector and on the X-ray tube voltage. We assume a photon-counting detector equipped with six adjustable energy thresholds. Physical effects leading to a degradation of the energy resolution of the detector are taken into account using the concept of a spectral response function R(E,U) for which we assume four different models. As a validation of our analytical considerations and in order to investigate the influence of elliptically shaped phantoms, we provide CT simulations of an anthropomorphic Forbild-Abdomen phantom containing a gold-contrast agent. The dependence on the values of the energy thresholds is taken into account by optimizing the achievable signal-to-noise ratios (SNR) with respect to the threshold values. We find that for a given X-ray spectrum and object size the SNR in the heavy element's basis material image peaks for a certain atomic number Z. The dependence of the SNR in the high- Z basis-material image on the object diameter is the natural, exponential decrease with particularly deteriorating effects in the case where the attenuation from the object itself causes a total signal loss below the K-edge. The influence of the energy-response of the detector is very important. We observed that the optimal SNR values obtained with an ideal detector and with a CdTe pixel detector whose response, showing significant tailing, has been determined at a synchrotron differ by factors of

  20. Hard X-ray MCD in GdNi/sub 5/ and TbNi/sub 5/ single crystals

    CERN Document Server

    Galera, R M

    1999-01-01

    XMCD experiments have been performed at the R L/sub 2,3/ and Ni K- edges on magnetically saturated single crystals of GdNi/sub 5/ and Tb Ni/sub 5/ ferromagnetic compounds. The spectra present huge and well structured dichroic $9 signals at both the R L/sub 2,3/ and the Ni K- edges. Structures from the quadrupolar (2p to 4f) transitions are clearly observed at the R L/sub 2,3/-edges. Though Ni is not magnetic, large intensities, up to 0.4, are measured at the $9 Ni K- edge. The Ni K-edge XMCD shows a three-peak structure which intensities dependent on the rare earth. (7 refs).

  1. K-edge subtraction synchrotron X-ray imaging in bio-medical research.

    Science.gov (United States)

    Thomlinson, W; Elleaume, H; Porra, L; Suortti, P

    2018-05-01

    High contrast in X-ray medical imaging, while maintaining acceptable radiation dose levels to the patient, has long been a goal. One of the most promising methods is that of K-edge subtraction imaging. This technique, first advanced as long ago as 1953 by B. Jacobson, uses the large difference in the absorption coefficient of elements at energies above and below the K-edge. Two images, one taken above the edge and one below the edge, are subtracted leaving, ideally, only the image of the distribution of the target element. This paper reviews the development of the KES techniques and technology as applied to bio-medical imaging from the early low-power tube sources of X-rays to the latest high-power synchrotron sources. Applications to coronary angiography, functional lung imaging and bone growth are highlighted. A vision of possible imaging with new compact sources is presented. Copyright © 2018 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  2. K-edge energy-based calibration method for photon counting detectors

    Science.gov (United States)

    Ge, Yongshuai; Ji, Xu; Zhang, Ran; Li, Ke; Chen, Guang-Hong

    2018-01-01

    In recent years, potential applications of energy-resolved photon counting detectors (PCDs) in the x-ray medical imaging field have been actively investigated. Unlike conventional x-ray energy integration detectors, PCDs count the number of incident x-ray photons within certain energy windows. For PCDs, the interactions between x-ray photons and photoconductor generate electronic voltage pulse signals. The pulse height of each signal is proportional to the energy of the incident photons. By comparing the pulse height with the preset energy threshold values, x-ray photons with specific energies are recorded and sorted into different energy bins. To quantitatively understand the meaning of the energy threshold values, and thus to assign an absolute energy value to each energy bin, energy calibration is needed to establish the quantitative relationship between the threshold values and the corresponding effective photon energies. In practice, the energy calibration is not always easy, due to the lack of well-calibrated energy references for the working energy range of the PCDs. In this paper, a new method was developed to use the precise knowledge of the characteristic K-edge energy of materials to perform energy calibration. The proposed method was demonstrated using experimental data acquired from three K-edge materials (viz., iodine, gadolinium, and gold) on two different PCDs (Hydra and Flite, XCounter, Sweden). Finally, the proposed energy calibration method was further validated using a radioactive isotope (Am-241) with a known decay energy spectrum.

  3. Influence of interstitial solutions (H, N) on cerium electronic state in Ce-Fe intermetallic compounds: X-ray Absorption Spectroscopy (XAS) study

    International Nuclear Information System (INIS)

    Chaboy, J.; Marcelli, A.; Bozukov, L.

    1995-03-01

    It is presented an x-ray absorption spectroscopy (XAS) investigation performed at the L-edges of the rare-earth and at the K-edge of iron in the R-Fe intermetallic compounds (La, Ce) 2 Fe 14 BH χ and Ce 2 Fe 17 (H,N) χ , to elucidate the role of the interstitial doping into the electronic and magnetic properties of these systems. Comparison with x-ray circular magnetic dichroism (XCMD) experiments has been carried out to clarify the localization of 4f magnetic moment at the Ce sites upon hydriding. Both XAS and XCMD results evidence the interplay between the structural and magnetic changes, that are associated to the modification of the hybridization between the Fe(3d) and Ce(5d) bands

  4. K-Edge Subtraction Angiography with Synchrotron X-Rays; TOPICAL

    International Nuclear Information System (INIS)

    Giacomini, John C.

    1996-01-01

    The purpose of this project was to utilize dual energy, monochromatic X-rays produced from synchrotrons radiation in order to obtain noninvasive medical imaging. The application of synchrotrons radiation to medical imaging is based on the principle of iodine dichromography, first described by Bertil Jacobson of the Karolinska Institute in 1953. Medical imaging using synchrotrons radiation and K-edge dichromography was pioneered at Stanford University under the leadership of Dr. Ed Rubenstein, and the late Nobel Laureate in Physics, Dr. Robert Hofstadter. With progressive refinements in hardware, clinical-quality images were obtained of human coronary arteries utilizing peripheral injections of iodinated contrast agent. These images even now are far superior to those being presented by investigators using MRI as an imaging tool for coronary arteries. However, new supplies and instruments in the cardiac catheterization laboratory have served to transform coronary angiography into an outpatient procedure, with relatively little morbidity. We extended the principles learned with coronary angiography to noninvasive imaging of the human bronchial tree. For these images, we utilized xenon as the contrast agent, as it has a K-edge very similar to that of iodine. In this case, there is no true competing diagnostic test, and pulmonary neoplasm is an enormous public health concern. In early experiments, we demonstrated remarkably clear images of the human bronchial tree. These images have been shown internationally; however, funding difficulties primarily with the Department of Energy have not allowed for progression of this promising avenue of research. One potential criticism of the project is that in order to obtain these images, we utilized national laboratories. Some have questioned whether this would lead to a practical imaging modality. However, we have shown that the technology exists to allow for construction of a miniature storage ring, with a superconducting

  5. Solid energy calibration standards for P K-edge XANES: electronic structure analysis of PPh4Br.

    Science.gov (United States)

    Blake, Anastasia V; Wei, Haochuan; Donahue, Courtney M; Lee, Kyounghoon; Keith, Jason M; Daly, Scott R

    2018-03-01

    P K-edge X-ray absorption near-edge structure (XANES) spectroscopy is a powerful method for analyzing the electronic structure of organic and inorganic phosphorus compounds. Like all XANES experiments, P K-edge XANES requires well defined and readily accessible calibration standards for energy referencing so that spectra collected at different beamlines or under different conditions can be compared. This is especially true for ligand K-edge X-ray absorption spectroscopy, which has well established energy calibration standards for Cl (Cs 2 CuCl 4 ) and S (Na 2 S 2 O 3 ·5H 2 O), but not neighboring P. This paper presents a review of common P K-edge XANES energy calibration standards and analysis of PPh 4 Br as a potential alternative. The P K-edge XANES region of commercially available PPh 4 Br revealed a single, highly resolved pre-edge feature with a maximum at 2146.96 eV. PPh 4 Br also showed no evidence of photodecomposition when repeatedly scanned over the course of several days. In contrast, we found that PPh 3 rapidly decomposes under identical conditions. Density functional theory calculations performed on PPh 3 and PPh 4 + revealed large differences in the molecular orbital energies that were ascribed to differences in the phosphorus oxidation state (III versus V) and molecular charge (neutral versus +1). Time-dependent density functional theory calculations corroborated the experimental data and allowed the spectral features to be assigned. The first pre-edge feature in the P K-edge XANES spectrum of PPh 4 Br was assigned to P 1s → P-C π* transitions, whereas those at higher energy were P 1s → P-C σ*. Overall, the analysis suggests that PPh 4 Br is an excellent alternative to other solid energy calibration standards commonly used in P K-edge XANES experiments.

  6. K-edge x-ray-absorption spectroscopy of laser-generated Kr+ and Kr2+

    International Nuclear Information System (INIS)

    Southworth, S. H.; Arms, D. A.; Dufresne, E. M.; Dunford, R. W.; Ederer, D. L.; Hoehr, C.; Kanter, E. P.; Kraessig, B.; Landahl, E. C.; Peterson, E. R.; Rudati, J.; Santra, R.; Walko, D. A.; Young, L.

    2007-01-01

    Tunable, polarized, microfocused x-ray pulses were used to record x-ray absorption spectra across the K edges of Kr + and Kr 2+ produced by laser ionization of Kr. Prominent 1s→4p and 5p excitations are observed below the 1s ionization thresholds in accord with calculated transition energies and probabilities. Due to alignment of 4p hole states in the laser-ionization process, the Kr + 1s→4p cross section varies with respect to the angle between the laser and x-ray polarization vectors. This effect is used to determine the Kr + 4p 3/2 and 4p 1/2 quantum state populations, and these are compared with results of an adiabatic strong-field ionization theory that includes spin-orbit coupling

  7. Using X-ray, K-edge densitometry in spent fuel characterization

    International Nuclear Information System (INIS)

    Jensen, T.; Aljundi, T.; Gray, J.N.

    1998-01-01

    There are instances where records for spent nuclear fuel are incomplete, as well as cases where fuel assemblies have deteriorated during storage. To bring these materials into compliance for long term storage will require determination of parameters such as enrichment, total fissionable material, and burnup. To obtain accurate estimates of these parameters will require the combination of information from different inspection techniques. A method which can provide an accurate measure of the total uranium in the spent fuel is X-ray K-edge densitometry. To assess the potential for applying this method in spent fuel characterization, the authors have measured the amount of uranium in stacks of reactor fuel plates containing nuclear materials of different enrichments and alloys. They have obtained good agreement with expected uranium concentrations ranging from 60 mg/cm 2 to 3,000 mg/cm 2 , and have demonstrated that these measurements can be made in a high radiation field (> 200 mR/hr)

  8. Exotic sources of x-rays for iodine K-edge angiography

    International Nuclear Information System (INIS)

    Carr, R.

    1993-08-01

    Digital Subtractive Angiography (DSA) has been performed to image human coronary arteries using wiggler radiation from electron storage rings. The significant medical promise of this procedure motivates the development of smaller and less costly x-ray sources. Several exotic sources are candidates for consideration, using effects such as Cherenkov, channeling, coherent bremsstrahlung, laser backscattering, microundulator, parametric, Smith-Purcell, and transition radiation. In this work we present an analysis of these effects as possible sources of intense x-rays at the iodine K-edge at 33.169 key. The criteria we use are energy, efficiency, flux, optical properties, and technical realizability. For each of the techniques, we find that they suffer either from low flux, a low energy cutoff, target materials heating, too high electron beam energy requirement, optical mismatch to angiography, or a combination of these. We conclude that the foreseeable state-of-the-art favors a compact storage ring design

  9. Extended software for the KfK K-edge densitometer

    International Nuclear Information System (INIS)

    Eberle, H.

    1985-04-01

    In order to further exploit the possibilities of the KfK K-edge densitometer, and to enlarge the range of its application, we have extended and modified the instrument's software. With the new software packages the instrument can now be used for analysis of the actinide elemments Th, U, Np, Pu and Am in single element solutions, and for the simultaneous assay of U and Pu in mixed U/Pu solutions. Provisions have been made for later extensions, allowing the analysis of additional elements combinations, if necessary. The report gives a short description of the new programs, and of the modifications to the previous programs. The listings and the corresponding programs are given in the Appendix. (orig./HP)

  10. Three dimensional mapping of strontium in bone by dual energy K-edge subtraction imaging

    International Nuclear Information System (INIS)

    Cooper, D M L; Chapman, L D; Carter, Y; Zhouping, W; Wu, Y; Panahifar, A; Duke, M J M; Doschak, M; Britz, H M; Bewer, B

    2012-01-01

    The bones of many terrestrial vertebrates, including humans, are continually altered through an internal process of turnover known as remodeling. This process plays a central role in bone adaptation and disease. The uptake of fluorescent tetracyclines within bone mineral is widely exploited as a means of tracking new tissue formation. While investigation of bone microarchitecture has undergone a dimensional shift from 2D to 3D in recent years, we lack a 3D equivalent to fluorescent labeling. In the current study we demonstrate the ability of synchrotron radiation dual energy K-edge subtraction (KES) imaging to map the 3D distribution of elemental strontium within rat vertebral samples. This approach has great potential for ex vivo analysis of preclinical models and human tissue samples. KES also represents a powerful tool for investigating the pharmokinetics of strontium-based drugs recently approved in many countries around the globe for the treatment of osteoporosis. (paper)

  11. Si K EDGE STRUCTURE AND VARIABILITY IN GALACTIC X-RAY BINARIES

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, Norbert S.; Corrales, Lia; Canizares, Claude R. [Kavli Institute for Astrophysics and Space Research, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2016-08-10

    We survey the Si K edge structure in various absorbed Galactic low-mass X-ray binaries (LMXBs) to study states of silicon in the inter- and circum-stellar medium. The bulk of these LMXBs lie toward the Galactic bulge region and all have column densities above 10{sup 22} cm{sup −2}. The observations were performed using the Chandra High Energy Transmission Grating Spectrometer. The Si K edge in all sources appears at an energy value of 1844 ± 0.001 eV. The edge exhibits significant substructure that can be described by a near edge absorption feature at 1849 ± 0.002 eV and a far edge absorption feature at 1865 ± 0.002 eV. Both of these absorption features appear variable with equivalent widths up to several mÅ. We can describe the edge structure using several components: multiple edge functions, near edge absorption excesses from silicates in dust form, signatures from X-ray scattering optical depths, and a variable warm absorber from ionized atomic silicon. The measured optical depths of the edges indicate much higher values than expected from atomic silicon cross sections and interstellar medium abundances, and they appear consistent with predictions from silicate X-ray absorption and scattering. A comparison with models also indicates a preference for larger dust grain sizes. In many cases, we identify Si xiii resonance absorption and determine ionization parameters between log ξ = 1.8 and 2.8 and turbulent velocities between 300 and 1000 km s{sup −1}. This places the warm absorber in close vicinity of the X-ray binaries. In some data, we observe a weak edge at 1.840 keV, potentially from a lesser contribution of neutral atomic silicon.

  12. The potential for neurovascular intravenous angiography using K-edge digital subtraction angiography

    International Nuclear Information System (INIS)

    Schueltke, E.; Fiedler, S.; Kelly, M.; Griebel, R.; Juurlink, B.; LeDuc, G.; Esteve, F.; Le Bas, J.-F.; Renier, M.; Nemoz, C.; Meguro, K.

    2005-01-01

    Background: Catheterization of small-caliber blood vessels in the central nervous system can be extremely challenging. Alternatively, intravenous (i.v.) administration of contrast agent is minimally invasive and therefore carries a much lower risk for the patient. With conventional X-ray equipment, volumes of contrast agent that could be safely administered to the patient do not allow acquisition of high-quality images after i.v. injection, because the contrast bolus is extremely diluted by passage through the heart. However, synchrotron-based digital K-edge subtraction angiography does allow acquisition of high-quality images after i.v. administration of relatively small doses of contrast agent. Materials and methods: Eight adult male New Zealand rabbits were used for our experiments. Animals were submitted to both angiography with conventional X-ray equipment and synchrotron-based digital subtraction angiography. Results: With conventional X-ray equipment, no contrast was seen in either cerebral or spinal blood vessels after i.v. injection of iodinated contrast agent. However, using K-edge digital subtraction angiography, as little as 1 ml iodinated contrast agent, when administered as i.v. bolus, yielded images of small-caliber blood vessels in the central nervous system (both brain and spinal cord). Conclusions: If it would be possible to image blood vessels of the same diameter in the central nervous system of human patients, the synchrotron-based technique could yield high-quality images at a significantly lower risk for the patient than conventional X-ray imaging. Images could be acquired where catheterization of feeding blood vessels has proven impossible

  13. Stability of Working Reference Standards for Hybrid K-Edge Densitometer Quality Assurance

    International Nuclear Information System (INIS)

    Guzzardo, T.; Pickett, C.A.; McElroy, R.; Croft, S.; Garrison, J.; Venkataraman, R.

    2015-01-01

    The relatively short working life of aqueous solution standards of actinides for the calibration and quality control of Hybrid K-Edge Densitometer (HKED) measurements necessitates the development of a stable matrix material less susceptible to degradation. Degradation in the form of evaporation, radiolysis, settling, sloshing, and sediment formation can all reduce the reliability and working life of an aqueous standard. These factors make aqueous solutions inadequate for long-term quality assurance measurements designed to detect weak or subtle trends in system performance. Epoxy, studied here, is an alternative matrix material that may be less vulnerable to degradation. An additional benefit of epoxy is that standards can easily be characterized as sealed sources which allows for simplified administrative controls during shipping and storage. The stability of working reference standards consisting of U 3 O 8 in an epoxy matrix for use in the HKED has been tracked for over three years through repeated X-ray Fluorescence (XRF) and K-Edge (KED) measurements. A set of six epoxy standards ranging in concentration from 1 g/l to 76 g/l uranium were determined to be stable, within the expected accuracy of the system, over the period of analysis. During this time, no effort was made to enhance the stability of the epoxy standards; the radial measurement position was not controlled and in the middle of the analysis period the HKED system and standards were shipped from the vendor's factory to the customer. Epoxy standards afford numerous benefits over those created from aqueous solutions and should be considered when developing HKED standards for quality assurance measurements. The stability of the epoxy allows the development of working standards of a stability and robustness sufficient for use in a proposed international round-robin exercise based on the exchange of such standards. (author)

  14. 1913–2013 – The centennial of X-ray absorption spectroscopy (XAS): Evidences about a question still open

    Energy Technology Data Exchange (ETDEWEB)

    Mottana, Annibale, E-mail: annibale.mottana@uniroma3.it [Università degli Studi Roma Tre, Dipartimento di Scienze, Largo S. Leonardo Murialdo 1, I-00146 Roma (Italy); Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Via E. Fermi 40, I-00044 Frascati, RM (Italy)

    2014-10-15

    Highlights: • X-ray Absorption Spectroscopy (XAS) cannot be dated exactly as for its birth. • The assumed discoverer, M. de Broglie, was preceded by J. Herweg in the submission. • However, both their spectra were found to be mistaken. • Before the work of W. Stenström and H. Fricke no sure evidence of XAS is published. • The solution is, probably, taking October 1, 1918 as XAS fictitious birthday. - Abstract: In 1913 J. Herweg first (June 30) and M. de Broglie slightly later (November 17) claimed the discovery of a series of spots and lines closely following the main absorption edges of heavy metals, which they interpreted as the proof of the existence of X-ray spectra analogous to light spectra. In the following year they documented their discoveries via photographic plates. However, they were both discredited: Herweg by G.E.M. Jauncey, who showed that his spectra, taken on Pt and W, did not obey Moseley's rule; de Broglie by W.H. Bragg, M. Siegbahn and E. Wagner, who showed that his lines were in fact the fluorescence lines of the Ag and Br constituents of the photographic emulsion. Consequently, W. Stenström's description (sent to publisher on July 2, 1918) of certain photographically recorded and graphically rendered modulations near the M-series edges of heavy metals may possibly be the first published evidence of true X-ray absorption spectra. Indeed, they were interpreted as such by W. Kossel (1920) in his seminal theoretical paper. Otherwise, H. Fricke's table, although printed in 1920, which exhibits the photographic plate of sulphur absorption dated October 1, 1918, and its graphical rendering by a photometric method, is the first unequivocally dated evidence of recorded modulations at a XAS K-edge.

  15. Structure of spinel at high temperature using in-situ XANES study at the Al and Mg K-edge

    Energy Technology Data Exchange (ETDEWEB)

    Ligny, D de [Universite Claude Bernard Lyon 1, LPCML, 69622 Villeurbanne (France); Neuville, D R [Physique des Mineraux et Magmas, Geochimie-Cosmochimie, CNRS-IPGP, 4 place Jussieu, 75005 Paris (France); Flank, A-M; Lagarde, P, E-mail: deligny@pcml.univ-lyon1.f [Synchrotron SOLEIL, L' Orme des Merisiers, Saint Aubin, 91192 France (France)

    2009-11-15

    We present structural information obtained on spinel at high temperature (298-2400 K) using in situ XANES at the Mg and Al K-edge. Spinel, {sup [4]}(Al{sub x},Mg{sub 1-x}){sup [6]}(Al{sub 2-x},Mg{sub x})O{sub 4}, with increasing temperature, show a substitution of Mg by Al and Al by Mg in their respective sites. This substitution corresponds to an inversion of the Mg and Al sites. Furthermore, both experiments at the Al and Mg K-edges are in good agreement with XANES calculation made using FDMNES code.

  16. The use of the hybrid K-edge densitometer for routine analysis of safeguards verification samples of reprocessing input liquor

    International Nuclear Information System (INIS)

    Ottmar, H.; Eberle, H.

    1991-01-01

    Following successful tests of a hybrid K-edge instrument at TUI Karlsruhe and the routine use of a K-edge densitometer for safeguards verification at the same laboratory, the Euratom Safeguards Directorate of the Commission of the European Communities decided to install the first such instrument into a large industrial reprocessing plant for the routine verification of samples taken from the input accountancy tanks. This paper reports on the installation, calibration, sample handling procedure and the performance of this instrument after one year of routine operation

  17. Molecular anisotropy effects in carbon K-edge scattering: depolarized diffuse scattering and optical anisotropy

    Energy Technology Data Exchange (ETDEWEB)

    Stone, Kevin H.

    2014-07-14

    Some polymer properties, such as conductivity, are very sensitive to short- and intermediate-range orientational and positional ordering of anisotropic molecular functional groups, and yet means to characterize orientational order in disordered systems are very limited. We demonstrate that resonant scattering at the carbon K-edge is uniquely sensitive to short-range orientation correlations in polymers through depolarized scattering at high momentum transfers, using atactic polystyrene as a well-characterized test system. Depolarized scattering is found to coexist with unpolarized fluorescence, and to exhibit pronounced anisotropy. We also quantify the spatially averaged optical anisotropy from low-angle reflectivity measurements, finding anisotropy consistent with prior visible, x-ray absorption, and theoretical studies. The average anisotropy is much smaller than that in the depolarized scattering and the two have different character. Both measurements exhibit clear spectral signatures from the phenyl rings and the polyethylene-like backbone. Discussion focuses on analysis considerations and prospects for using this depolarized scattering for studies of disorder in soft condensed matter.

  18. New K-edge-balanced contrast phantom for image quality assurance in projection radiography

    Science.gov (United States)

    Cresens, Marc; Schaetzing, Ralph

    2003-06-01

    X-ray-absorber step-wedge phantoms serve in projection radiography to assess a detection system's overall exposure-related signal-to-noise ratio performance and contrast response. Data derived from a phantom image, created by exposing a step-wedge onto the image receptor, are compared with predefined acceptance criteria during periodic image quality assurance (QA). For contrast-related measurements, in particular, the x-ray tube potential requires accurate setting and low ripple, since small deviations from the specified kVp, causing energy spectrum changes, lead to significant image signal variation at high contrast ratios. A K-edge-balanced, rare-earth-metal contrast phantom can generate signals that are significantly more robust to the spectral variability and instability of exposure equipment in the field. The image signals from a hafnium wedge, for example, are up to eight times less sensitive to spectral fluctuations than those of today"s copper phantoms for a 200:1 signal ratio. At 120 kVp (RQA 9), the hafnium phantom still preserves 70% of the subject contrast present at 75 kVp (RQA 5). A copper wedge preserves only 7% of its contrast over the same spectral range. Spectral simulations and measurements on prototype systems, as well as potential uses of this new class of phantoms (e.g., QA, single-shot exposure response characterization) are described.

  19. Surface modification study of borate materials from B K-edge X-ray absorption spectroscopy

    Science.gov (United States)

    Kasrai, Masoud; Fleet, Michael E.; Muthupari, Swaminathan; Li, D.; Bancroft, G. M.

    The B K-edge X-ray absorption near-edge structure (XANES) spectra of two borates with tetrahedrally-coordinated B [[4]B; natural danburite (CaB2Si2O8) and synthetic boron phosphate (BPO4)] have been recorded in total electron yield (TEY) and fluorescence yield (FY) modes to investigate the surface and bulk structure of these materials. The TEY XANES measurement shows that danburite is susceptible to surface damage involving conversion of [4]B sites to [3]B sites by reaction with moisture and/or mechanical abrasion (grinding, polishing, etc.). The bulk of the mineral is essentially unaffected. Commercial boron phosphate powder exhibits more extensive surface and bulk damage, which increases with air exposure but is recovered on heating at 650°C. In contrast to ELNES, the XANES technique is not affected by beam damage and when collected in the FY mode is capable of yielding meaningful information on the coordination and intermediate-range structure of B in borate and borosilicate materials.

  20. The optical properties of boron carbide near boron K-edge inside periodical multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Ksenzov, Dmitriy; Schlemper, Christoph; Pietsch, Ullrich [University of Siegen (Germany)

    2010-07-01

    Multilayer mirrors made for the use in the wavelength range near K-edge of boron (188 eV) are of great interest for X-ray fluorescence analysis of boron content in doped semiconductors, plasma diagnostics, astronomy and lithography. Moreover, multilayer mirrors composed by a metal and a low Z element like boron are used as optical elements in both the soft x-ray spectral range as well as at higher photon energies on 3rd generation synchrotron beamlines. Using an energy-resolved photon-in-photon-out method we reconstructed the optical data from energy dependence of both integrated peak intensity and FWHM of the 1st order ML Bragg peak measured at the UHV triple axis soft-x-ray reflectometer at BESSY II. The experiments clearly demonstrate that the peak shape of the ML Bragg peak is most sensitive to any kind of electronic excitation and recombination in solid. The soft-ray reflectivity can give detailed information for MLs with thickness up to several tens of nanometers. In addition, measurements close to a resonance edge probe the chemical state of the respective constituent accompanied with a high sensitivity of changes close to the sample surface.

  1. Photoabsorption spectra of potassium and rubidium near the K-edge

    International Nuclear Information System (INIS)

    Azuma, Y.; Berry, H.G.; Cowan, P.L.

    1995-01-01

    We have used a high-temperature circulating heat-pipe absorption cell together with monochromatized X-ray beams at the X24A and X23A2 beam lines at the NSLS to obtain photoabsorption spectra of potassium and rubidium at their K- and KM-edges. The photon-energy ranges lay near 3600 eV and 15200 eV, respectively. We have also obtained first measurements of the LII and LIII edges in cesium. Although the K-edge photoabsorptions of the rare gases have been studied, there is little previous work on other atomic vapors. Most of the edges and resonance peaks that we observed have now been identified using Dirac Hartree-Fock calculations. As a check, we have compared these results with those obtained previously in closed-shell rare-gas absorption spectra. The absolute energies were obtained through a calibration of the X24A systems using measurements of several metal L-edges in the 3200-5000 eV energy range. We found that the 4p resonance in potassium is significantly enhanced compared with the corresponding situation in argon. Likewise, the 5p resonance in krypton is unresolved from the background ionization cross section, whereas it is well resolved in rubidium. As suggested by Amusia, these enhancements may be due to the enhanced potential seen in the excited state of the alkali systems as a result of the presence of an s-electron which reduces the nuclear shielding

  2. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions.

    Science.gov (United States)

    Olson, Angela C; Keith, Jason M; Batista, Enrique R; Boland, Kevin S; Daly, Scott R; Kozimor, Stosh A; MacInnes, Molly M; Martin, Richard L; Scott, Brian L

    2014-12-14

    Herein, we have evaluated relative changes in M-S electronic structure and orbital mixing in Group 6 MS4(2-) dianions using solid- and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density functional theory (TDDFT) calculations. To facilitate comparison with solution measurements (conducted in acetonitrile), theoretical models included gas-phase calculations as well as those that incorporated an acetonitrile dielectric, the latter of which provided better agreement with experiment. Two pre-edge features arising from S 1s → e* and t electron excitations were observed in the S K-edge XAS spectra and were reasonably assigned as (1)A1 → (1)T2 transitions. For MoS4(2-), both solution-phase pre-edge peak intensities were consistent with results from the solid-state spectra. For WS4(2-), solution- and solid-state pre-edge peak intensities for transitions involving e* were equivalent, while transitions involving the t orbitals were less intense in solution. Experimental and computational results have been presented in comparison to recent analyses of MO4(2-) dianions, which allowed M-S and M-O orbital mixing to be evaluated as the principle quantum number (n) for the metal valence d orbitals increased (3d, 4d, 5d). Overall, the M-E (E = O, S) analyses revealed distinct trends in orbital mixing. For example, as the Group 6 triad was descended, e* (π*) orbital mixing remained constant in the M-S bonds, but increased appreciably for M-O interactions. For the t orbitals (σ* + π*), mixing decreased slightly for M-S bonding and increased only slightly for the M-O interactions. These results suggested that the metal and ligand valence orbital energies and radial extensions delicately influenced the orbital compositions for isoelectronic ME4(2-) (E = O, S) dianions.

  3. Electronic structure of Ni/sub 3/Al and Ni/sub 3/Ga alloys

    CERN Document Server

    Pong, W F; Chang, Y K; Tsai, M H; Hsieh, H H; Pieh, J Y; Tseng, P K; Lee, J F; Hsu, L S

    1999-01-01

    This work investigates the charge transfer and Al(Ga) p-Ni d hybridization effects in the intermetallic Ni/sub 3/Al(Ni/sub 3/Ga) alloy using the NiL/sub 3.2/- and K-edge and Al(Ga)K X-ray absorption near edge structure (XANES) measurements. We find that the intensity of white-line features at the NiL/sub 3.2/-edge in the Ni/sub 3/Al(Ni /sub 3/Ga) alloy decreased in comparison with that of pure Ni, which can be attributed to the enhancement of Ni3d states filling and the depletion of the density of Ni 3d unoccupied states in the Ni/sub 3 /Al(Ni/sub 3/Ga) alloy. Two clear features are also observed in the Ni/sub 3/Al(Ni/sub 3/Ga) XANES spectrum at the Al(Ga) K-edge, which can be assigned to the Al(Ga) unoccupied 3p (4p) states and their hybridized states with the Ni 3d/4sp states above the Fermi level in Ni/sub 3/Al(Ni/sub 3/Ga). The threshold at Al K-edge XANES for Ni/sub 3/Al clearly shifts towards higher photon energies relative to that of pure Al, indicating that Al loses charges upon forming Ni/sub 3 /Al. ...

  4. Off-line NDA measurement of actinides in reprocessing solution using hybrid K-edge/K-XRF densitometer

    International Nuclear Information System (INIS)

    Bootharajan, M.; Swaminathan, K.; Venkata Subramani, C.R.; Kumar, R.

    2015-01-01

    A versatile, nondestructive assay (NDA) system of a hybrid K-edge/K-XRF facility adapted to a glove box facility has been developed at RCL, IGCAR for the analysis of U and Pu in process solutions obtained from the reprocessing of spent nuclear fuels. This paper describes i) The development of a hybrid K-edge/K-XRF facility adapted to a glove box system ii) The results obtained using conditioner solution of burn up 155 GWd/t with a dose of 20 R/h and iii) Comparison of the results with the parallel analyses of the same by Isotope dilution mass spectrometry. The hybrid K-edge cum K-XRF densitometer is ideally suited for dissolver solutions as well as U and Pu product solutions from reprocessing plant. This method can be useful in the analysis of mixed solution of Special Nuclear Materials (SNM) without chemical separation. To assay solutions with high radiation background, the hybrid K-edge/K-XRF system is designed and fabricated inside a glove box with adequate shielding from both source X-rays and the sample radiation. The theory and preliminary experiments are described elsewhere. Around 5 mL of the conditioner solution (burn up of 155 GWd/t with a dose of 20 R/h) was taken in a poly propylene vial placed concentrically in to another poly propylene vial. The concentration was estimated by K-edge densitometry with X-ray tube operated with 150 kV and 1 mA and counting period of 3000s. Background correction was obtained with the X-ray tube in OFF condition. The solution was analysed parallelly using isotopic dilution mass spectrometry

  5. Synthesis of nanocrystalline NiO/ZnO heterostructured composite powders by sol-gel auto combustion method and their characterizations

    Science.gov (United States)

    Tangcharoen, Thanit; Klysubun, Wantana; Kongmark, Chanapa

    2018-03-01

    Nanocrystalline NiO/ZnO heterostructured composite powders were prepared by the sol-gel auto combustion method, based on nickel and zinc nitrate precursors and using diethanolamine (DEA) as novel fuel. The composition of different NiO and ZnO ratios, ranging from 100/0, 95/5, 90/10, 80/20, 60/40, 50/50, 40/60, 20/80, 10/90, 5/95 to 0/100, were studied. The structural, chemical bonding, morphological, optical, and fluorescence properties including the local atomic structure of each calcined sample were systematically investigated by means of X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), UV-visible diffuse reflectance spectroscopy (UV-DRS), photoluminescence (PL) spectroscopy, and synchrotron X-ray absorption spectroscopy (XAS), respectively. For the ZnO concentration below 20%, both XRD and Raman spectroscopy results revealed only the NiO phase. This conformed to the observation of Zn K-edge and Ni K-edge X-ray absorption near edge structure (XANES). The Zn ions found in the samples of low ZnO concentration exhibited six-fold coordination with oxygen atoms rather than the four-fold coordination found in the wurtzite (WZ) structure of ZnO. In contrast, the Ni ions which are found in the samples of low NiO concentration (≤10%) are coordinated both tetrahedrally and octahedrally by four or six oxygen atoms, respectively, rather than the six-fold coordination which is usually observed for Ni ions in the rock salt (RS) form of NiO. All analytical results obtained from experimental XANES spectra were verified by the theoretical calculation of absorption spectra using the FEFF9.7 code. The UV-DRS results showed that there was an increase in the reflectance efficiency for both infrared and visible light conditions as the content of ZnO increases; meanwhile, the values for the energy gap (Eg) of all composite samples were higher than that of pure NiO and ZnO. In addition, the PL spectra revealed major blue emission bands observed at 490

  6. NMR and XAS Study of Fe-Mo Double Perovskites

    International Nuclear Information System (INIS)

    Zajac, D.A.; Kapusta, C.; Borowiec, M.; Sikora, M.; Marquina, C.; Blasco, J.; Ibarra, M.R.

    2005-01-01

    The results of NMR and XAS measurements of the A 2 FeMoO 6 double perovskites (DP) (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) at the Fe and Mo K edges are reported and the information on the individual site electronic and magnetic properties is analysed. The compounds studied belong to the family of materials exhibiting a high field '' colossal '' magnetoresistance as well as a low field '' giant '' magnetoresistance. Magnetoresistive properties of the compounds arise from their half-metallicity, i.e. only one spin direction being populated in the conduction band, which consists of overlapping spin down 3d Fe, 2p O and 4d Mo electron bands. Within the model, a spin-down electron undergoes a fast hopping through unoccupied oxygen 2p orbitals between Fe 3+ (3d 5 - spin up) and Mo 6+ (4d 0 ) ionic cores. This mechanism implicates an anti-parallel coupling of the Fe and Mo spins and leads to non-integer magnetic moments and a metallic character below TC. The interaction, in analogy with the '' double exchange '' (DE) in manganites, is called '' double exchange-like '' interaction. The superexchange interaction (SE) is also expected to be present, resulting also in an anti-parallel coupling of 3d Fe 3+ and 4d Mo 5+ spins through occupied oxygen 2p orbitals. The insulating character of SE is connected with an increase of the tilt angle of the Fe-O-Mo bond, which is related to a change of the structural tolerance factor f and results in structural distortions. The molybdenum NMR measurements revealed the existence of a non-integer magnetic moment at Mo and Fe, which can be attributed to the DE-like interaction. However, experiments using Moessbauer spectroscopy have shown the existence of two Fe ionisation states - with integer (SE) and non integer (DE) magnetic moments. The 95 Mo and 97 Mo NMR measurements on A 2 FeMoO 6 (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) presented in this work show different values of the Mo hyperfine field and the corresponding magnetic moment. This is attributed

  7. Synchrotron radiation based analytical techniques (XAS and XRF)

    International Nuclear Information System (INIS)

    Jha, Shambhu Nath

    2014-01-01

    A brief description of the principles of X-ray absorption spectroscopy (XAS) and X-ray fluorescence (XRF) techniques is given in this article with emphasis on the advantages of using synchrotron radiation-based instrumentation/beamline. XAS technique is described in more detail to emphasize the strength of the technique as a local structural probe. (author)

  8. Structural and chemical reactivity modifications of a cobalt perovskite induced by Sr-substitution. An in situ XAS study

    International Nuclear Information System (INIS)

    Hueso, Jose L.; Holgado, Juan P.; Pereñíguez, Rosa; Gonzalez-DelaCruz, V.M.; Caballero, Alfonso

    2015-01-01

    LaCoO 3 and La 0.5 Sr 0.5 CoO 3−δ perovskites have been studied by in situ Co K-edge XAS. Although the partial substitution of La(III) by Sr(II) species induces an important increase in the catalytic oxidation activity and modifies the electronic state of the perovskite, no changes could be detected in the oxidation state of cobalt atoms. So, maintaining the electroneutrality of the perovskite requires the generation of oxygen vacancies in the network. The presence of these vacancies explains that the substituted perovskite is now much more reducible than the original LaCoO 3 perovskite. As detected by in situ XAS, after a consecutive reduction and oxidation treatment, the original crystalline structure of the LaCoO 3 perovskite is maintained, although in a more disordered state, which is not the case for the Sr doped perovskite. So, the La 0.5 Sr 0.5 CoO 3−δ perovskite submitted to the same hydrogen reduction treatment produces metallic cobalt, while as determined by in situ XAS spectroscopy the subsequent oxidation treatment yields a Co(III) oxide phase with spinel structure. Surprisingly, no Co(II) species are detected in this new spinel phase. - Highlights: • A Sr-substituted lanthanum cobalt perovskite has been prepared by spray pyrolysis. • It has been established that Co(III) cations are present in both perovskites. • LaCoO 3 is a less reducible phase than the substituted La 0.5 Sr 0.5 CoO 3−δ . • After reoxidation of reduced La 0.5 Sr 0.5 CoO 3−δ , a 100% Co(III) spinel is obtained

  9. XAS Investigations of PEM Fuel Cells

    Science.gov (United States)

    Roth, Christina; Ramaker, David E.

    Polymer-electrolyte membrane (PEM) fuel cells are still far from an area-wide market launch due in part to long-term stability, reliability and cost issues. A more detailed knowledge of the underlying reaction mechanisms is expected to further their application, as it would allow for the design of tailor-made catalysts. However, this will only be possible by complementing traditional in situ studies on single-crystals in electrochemical cells with more sophisticated metal/electrolyte interfacial studies by novel spectroscopic methodologies, which can provide complementary insights into the behaviour of commercial catalysts under real fuel cell operating conditions. This review will focus on the advances of Xray absorption spectroscopy (XAS) in applied fuel cell research utilizing several examples. XAS enables both the nanoparticle morphology and the adsorbate coverage and binding site to be investigated with just one technique. The latter is possible when complementing the conventional extended X-ray absorption fine structure (EXAFS) analysis with the more novel Δμ XANES approach.

  10. Probing single magnon excitations in Sr₂IrO₄ using O K-edge resonant inelastic x-ray scattering.

    Science.gov (United States)

    Liu, X; Dean, M P M; Liu, J; Chiuzbăian, S G; Jaouen, N; Nicolaou, A; Yin, W G; Rayan Serrao, C; Ramesh, R; Ding, H; Hill, J P

    2015-05-27

    Resonant inelastic x-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin-orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr2IrO4, where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolution in the hard x-ray region is usually poor.

  11. Feasibility study of X-ray K-edge analysis of RCRA heavy metal contamination of sludge packaged in drums

    International Nuclear Information System (INIS)

    Jensen, T.

    1999-01-01

    A study has been completed to assess the capabilities of X-ray K-edge analysis in the measurement of RCRA metal contamination of sludge packaged in drums. Results were obtained for mercury and lead contamination. It was not possible to measure cadmium contamination using this technique. No false positive signals were observed. In cases where uniformity of the sludge can be assumed, this analysis can provide a quick, accurate measurement of heavy-metal contamination

  12. X-ray spectroscopy at the Mn K edge in LaMnO3 : An ab initio study

    NARCIS (Netherlands)

    Hozoi, L.; Vries, A.H. de; Broer, R.

    2001-01-01

    We present ab initio quantum chemical embedded cluster calculations of Mn core-valence and d-d transitions in LaMnO3. The results are also important for the analysis of recent x-ray absorption and x-ray scattering experiments at the Mn K edge in LaMnO3. We find that the first two peaks of the

  13. Operating software for plutonium measurements in the KfK K-edge densitometer. A user's guide

    International Nuclear Information System (INIS)

    Eberle, H.

    1983-09-01

    A set of computer programs has been developed for the execution of plutonium concentration measurements in the KfK K-edge photon absorptiometer for performance evaluation. The programs are implemented on a ND-6620 data acquisition and processing system. A short description of the programs and commands for data accumulation and analysis is given. Nevertheless, the user should be familiar with the ND-6620 data acquisition and processing system, its system software, and with the FORTRAN programming language. (orig./HP)

  14. XAS Investigation of bio-relevant cobalt complexes in aqueous media

    International Nuclear Information System (INIS)

    Bresson, C.; Lamouroux, C.; Esnouf, S.; Solari, P.L.; Den Auwer, C.

    2006-01-01

    Cobalt is an essential element of biological cycles involved in numerous metallo-biomolecules, but it becomes a toxic element at high concentration or a radio-toxic element because of its use in the nuclear industry. 'Molecular speciation' in biological media is an essential prerequisite to evaluate its chemical behaviour as well as its toxic or beneficial effects. In this scheme, we have focused on the coordination properties of the thiol-containing amino acid cysteine (Cys) and the pseudo-peptide N-(2-mercapto-propionyl) glycine (MPG) towards the Co 2+ cation in aqueous media. XAS at the Co K edge and traditional spectroscopic techniques have been coupled in order to structurally characterize the cobalt coordination sphere. Oxidation states and geometries of the bis- and tris-cysteinato Co(III) complexes are in agreement with the literature data. In addition, bond lengths between the metallic centre and the donor atoms have been determined. The structure of a new dimeric N-(2-mercapto-propionyl) glycinato Co(II) complex in solution is also reported. The coordination of MPG to Co(II) through the thiolate and carboxylate functions is ascertained. This work provides fundamental structural information about bio-relevant complexes of cobalt, which will contribute to our understanding of the chemical behaviour and the biological role of this radionuclide. (authors)

  15. Interpolation of Gamma-ray buildup Factors for Arbitrary Source Energies in the Vicinity of the K-edge

    International Nuclear Information System (INIS)

    Michieli, I.

    1998-01-01

    Recently, a new buildup factors approximation formula based on the expanded polynomial set (E-P function) was successfully introduced (Michieli 1994.) with the maximum approximation error below 4% throughout the standard data domain. Buildup factors interpolation in E-P function parameters for arbitrary source energies, near the K-edge in lead, was satisfactory. Maximum interpolation error, for lead, lays within 12% what appears to be acceptable for most Point Kernel application. 1991. Harima at. al., showed that, near the K-edge, fluctuation in energy of exposure rate attenuation factors i.e.: D(E)B(E, μ E r)exp(-μ E r), given as a function of penetration depth (r) in ordinary length units (not mfps.), is not nearly as great as that of buildup factors. That phenomenon leads to the recommendation (ANSI/ANS-6.4.3) that interpolations in that energy range should be made in the attenuation factors B(E, μ E r)exp(-μ E r) rather than in the buildup factors alone. In present article, such interpolation approach is investigated by applying it to the attenuation factors in lead, with E-P function representation of exposure buildup factors. Simple form of the E-P function leads to strait calculation of new function parameters for arbitrary source energy near the K-edge and thus allowing the same representation form of buildup factors as in the standard interpolation procedure. results of the interpolation are discussed and compared with those from standard approach. (author)

  16. Adsorption behavior of sulfur-containing amino acid molecule on transition metal surface studied by S K-edge NEXAFS

    International Nuclear Information System (INIS)

    Yagi, S.; Matsumura, K.; Nakano, Y.; Ikenaga, E.; Sardar, S.A.; Syed, J.A.; Soda, K.; Hashimoto, E.; Tanaka, K.; Taniguchi, M.

    2003-01-01

    Adsorption behavior of a sulfur-containing amino acid L-cysteine molecule on transition metal surface have been investigated by S K-edge near-edge X-ray absorption fine structure. The L-cysteine molecule for first adsorption layer was found to dissociate on polycrystalline nickel surface, whereas molecularly adsorbed on copper surface at room temperature. Most of the L-cysteine molecules have been dissociated on nickel surface in annealing condition up to 353 K. On the other hand, the L-cysteine molecule did not dissociate on copper surface and the elongation of the S-C bonding occurred at 353 K

  17. In situ Ru K-edge EXAFS of CO adsorption on a Ru modified Pt/C fuel cell catalyst

    International Nuclear Information System (INIS)

    Rose, Abigail; Bilsborrow, Robert; King, Colin R.; Ravikumar, M.K.; Qian Yangdong; Wiltshire, Richard J.K.; Crabb, Eleanor M.; Russell, Andrea E.

    2009-01-01

    The Ru-CO bond of CO adsorbed on a Ru modified Pt/C fuel cell catalyst has been directly probed by in situ EXAFS at the Ru K-edge, providing evidence of a CO:metal surface atom ratio greater than 1:1 and that CO is adsorbed at bridging sites associated with Ru atoms at the surface of the catalyst nanoparticles. This result illustrates the limitations of single crystal models as representations of the bonding of adsorbed species at nanoparticle surfaces.

  18. Pressure-induced magnetic transition in Fe sub 4 N probed by Fe K-edge XMCD measurement

    CERN Document Server

    Ishimatsu, N; Maruyama, H; Kawamura, N; Suzuki, M; Ohishi, Y; Ito, M; Nasu, S; Kawakami, T

    2003-01-01

    X-ray magnetic circular dichroism (XMCD) of gamma'-iron nitride (Fe sub 4 N) was recorded at Fe K-edge under high pressure up to 27 GPa. The XMCD intensity decreased remarkably with pressure, and vanished at 24 GPa. Compressibility was measured by the X-ray diffraction method. These results indicate that Fe sub 4 N undergoes a second-order phase transition from the ferromagnetic state to a paramagnetic state without any structural change. The pressure-induced demagnetizing process is discussed in terms of the Fe magnetic states in the local environment.

  19. Multiple Scattering Approach to Polarization Dependence of F K-Edge XANES Spectra for Highly Oriented Polytetrafluoroethylene (PTFE) Thin Film

    International Nuclear Information System (INIS)

    Nagamatsu, S.; Ono, M.; Kera, S.; Okudaira, K. K.; Fujikawa, T.; Ueno, N.

    2007-01-01

    The polarization dependence of F K-edge X-ray absorption near edge structure (XANES) spectra of highly-oriented thin-film of polytetrafluoroethylene (PTFE) has been analyzed by using multiple scattering theory. The spectra show clear polarization dependence due to the highly-oriented structure. The multiple scattering calculations reflects a local structure around an absorbing atom. The calculated results obtained by considering intermolecular-interactions are in good agreement with the observed polarization-dependence. We have also analyzed structural models of the radiation damaged PTFE films

  20. Bimagnon studies in cuprates with resonant inelastic x-ray scattering at the O K edge. I. Assessment on La2CuO4 and comparison with the excitation at Cu L3 and Cu K edges

    Science.gov (United States)

    Bisogni, V.; Simonelli, L.; Ament, L. J. P.; Forte, F.; Moretti Sala, M.; Minola, M.; Huotari, S.; van den Brink, J.; Ghiringhelli, G.; Brookes, N. B.; Braicovich, L.

    2012-06-01

    We assess the capabilities of magnetic resonant inelastic x-ray scattering (RIXS) at the O K edge in undoped cuprates by taking La2CuO4 as a benchmark case, based on a series of RIXS measurements that we present here. By combining the experimental results with basic theory we point out the fingerprints of bimagnon excitation in the O K edge RIXS spectra. These are a dominant peak around 450 meV, the almost complete absence of dispersion both with π and σ polarization, and the almost constant intensity vs the transferred momentum with σ polarization. This behavior is quite different from Cu L3 edge RIXS giving a strongly dispersing bimagnon tending to zero at the center of the Brillouin zone. This is clearly shown by RIXS measurements at the Cu L3 edge that we present. The Cu L3 bimagnon spectra and those at the Cu K edge—both from the literature and from our data—however, have the same shape. These similarities and differences are understood in terms of different sampling of the bimagnon continuum. This panorama points out the unique possibilities offered by O K RIXS in the study of magnetic excitations in cuprates near the center of the BZ.

  1. Feasibility of photon-counting K-edge imaging in X-ray and computed tomographic systems: Monte Carlo simulation studies

    International Nuclear Information System (INIS)

    Lee, Seung-Wan; Choi, Yu-Na; Cho, Hyo-Min; Lee, Young-Jin; Ryu, Hyun-Ju; Kim, Hee-Joung

    2011-01-01

    Conventional X-ray systems and X-ray computed tomography (CT) systems, which use detectors operated in the integrating mode, are not able to reflect spectral information because the detector output is proportional to the energy fluence integrated over the whole spectrum. Photon-counting detectors have been considered as alternative devices. These detectors can measure the photon energy deposited by each event and improve the image quality. In this study, we investigated the feasibility of K-edge imaging using a photon-counting detector and evaluated the capability of material decomposition in X-ray images. The geometries of X-ray imaging systems equipped with cadmium telluride (CdTe) detectors and phantoms consisting of different materials were designed using Geant4 Application for Tomographic Emission (GATE) version 6.0. To observe the effect of a discontinuity in the attenuation due to the K-edge of a high atomic number material, we chose the energy windows to be one below and one above the K-edge absorption energy of the target material. The contrast-to-noise ratios (CNRs) of the target materials were increased at selective energy levels above the K-edge absorption energy because the attenuation is more dramatically increased at energies above the K-edge absorption energy of the material than at energies below that. The CNRs for the target materials in the K-edge image were proportional to the material concentration. The results of this study show that K-edge imaging can be carried out in conventional X-ray systems and X-ray CT systems using CdTe photon-counting detectors and that the target materials can be separated from background materials by using K-edge imaging. The photon-counting detector has potential to provide improved image quality, and this study will be used as a basis for future studies on photon-counting X-ray imaging.

  2. Novel digital K-edge imaging system with transition radiation from an 855-MeV electron beam

    CERN Document Server

    Hagenbuck, F; Clawiter, N; Euteneuer, H; Görgen, F; Holl, P; Johann, K; Kiser, K H; Kemmer, J; Kerschner, T; Kettig, O; Koch, H; Kube, G; Lauth, W; Mauhay, H; Schütrumpf, M; Stotter, R; Strüder, L; Walcher, T; Wilms, A; von Zanthier, C; Zemter, M

    2001-01-01

    A novel K-edge imaging method has been developed at the Mainz Microtron MAMI aiming at a very efficient use of the transition radiation (TR) flux generated by the external 855-MeV electron beam in a foil stack. A fan-like quasi-monochromatic hard X-ray beam is produced from the +or-1-mrad-wide TR cone with a highly oriented pyrolytic graphite (HOPG) crystal. The absorption of the object in front of a 30 mm*10 mm pn charge-coupled device (pn-CCD) photon detector is measured at every pixel by a broad-band energy scan around the K-absorption edge. This is accomplished by a synchronous variation of the lateral crystal position and the electron beam direction which defines also the direction of the TR cone. The system has been checked with a phantom consisting of a 2.5- mu m thick molybdenum sample embedded in a 136- or 272- mu m-thick copper bulk foil. A numerical analysis of the energy spectrum for every pixel demonstrates that data as far as +or-0.75 keV away from the K edge of molybdenum at 20 keV still improv...

  3. XAS studies on selenite reduction by pyrite

    International Nuclear Information System (INIS)

    Kang Mingliang; Liu Chunli; Chen Fanrong; Charlet, Laurnet

    2012-01-01

    The interaction of aqueous Se (IV) with pyrite were systematically investigated in light of thermodynamic calculations and X-ray Absorption Spectroscopy (XAS). The results from the speciation study reveal that the reduction product is Se (O) when natural pyrite reacts with Se (N) at pH≤5.65, while small amount of FeSeO 3 or iron selenides may be formed at pH 6.1. At pH≥6.94, due to the precipitation of Fe (Ⅲ) -oxyhydroxide, the formation of the thermodynamically most stable species, FeSe 2 , is inhibited. However, when the reactive nanopyrite-greigite was used for reaction, the thermodynamically most stable species, FeSe 2 , was found for the first time as the predominant product in the present study, suggesting that 79 Se can be immobilized in its most insoluble form, FeSe 2 , in Fe (Ⅱ) -sulfide containing environment. This study confirms that pyrite can significantly attenuate the mobility of Se by reductive precipitation, and that the reaction process does not produce protons under acidic or neutral condition when Se (O) is formed. (authors)

  4. Solid-Phase Fe Speciation along the Vertical Redox Gradients in Floodplains using XAS and Mössbauer Spectroscopies.

    Science.gov (United States)

    Chen, Chunmei; Kukkadapu, Ravi K; Lazareva, Olesya; Sparks, Donald L

    2017-07-18

    Properties of Fe minerals are poorly understood in natural soils and sediments with variable redox conditions. In this study, we combined 57 Fe Mössbauer and Fe K-edge X-ray absorption spectroscopic (XAS) techniques to assess solid-phase Fe speciation along the vertical redox gradients of floodplains, which exhibited a succession of oxic, anoxic, and suboxic-oxic zones with increasing depth along the vertical profiles. The incised stream channel is bounded on the east by a narrow floodplain and a steep hillslope, and on the west by a broad floodplain. In the eastern floodplain, the anoxic conditions at the intermediate horizon (55-80 cm) coincided with lower Fe(III)-oxides (particularly ferrihydrite), in concurrence with a greater reduction of phyllosilicates(PS)-Fe(III) to PS-Fe(II), relative to the oxic near-surface and sandy gravel layers. In addition, the anoxic conditions in the eastern floodplain coincided with increased crystallinity of goethite, relative to the oxic layers. In the most reduced intermediate sediments at 80-120 cm of the western floodplain, no Fe(III)-oxides were detected, concurrent with the greatest PS-Fe(III) reduction (PS-Fe(II)/Fe(III) ratio ≈ 1.2 (Mössbauer) or 0.8 (XAS)). In both oxic near-surface horizon and oxic-suboxic gravel aquifers beneath the soil horizons, Fe(III)-oxides were mainly present as ferrihydrite with a much less amount of goethite, which preferentially occurred as nanogoethite or Al/Si-substituted goethite. Ferrihydrite with varying crystallinity or impurities such as organic matter, Al or Si, persisted under suboxic-oxic conditions in the floodplain. This study indicates that vertical redox gradients exert a major control on the quantity and speciation of Fe(III) oxides as well as the oxidation state of structural Fe in PS, which could significantly affect nutrient cycling and carbon (de)stabilization.

  5. Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

    International Nuclear Information System (INIS)

    Ildefonse, P.; Calas, G.; Flank, A.M.; Lagarde, P.

    1995-01-01

    Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaO-MgO-2SiO 2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mg-O distances of 2.01 A. In aluminosilicate gels, Al-K XANES has been used to investigate the [4]Al/Al total ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Si-K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si=1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels. (orig.)

  6. Low Z elements (Mg, Al, and Si) K-edge X-ray absorption spectroscopy in minerals and disordered systems

    Science.gov (United States)

    Ildefonse, Ph.; Calas, G.; Flank, A. M.; Lagarde, P.

    1995-05-01

    Soft X-ray absorption near edge spectroscopy (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopy have been performed at the Mg-, Al- and Si-K edges in order to establish the ability of this spectroscopy to derive structural information in disordered solids such as glasses and gels. Mg- and Al-K XANES are good structural probes to determine the coordination state of these elements in important minerals, glasses and gels. In a CaOsbnd MgOsbnd 2SiO2 glass Mg XANES spectra differ from that found in the crystalline equivalent, with a significant shift of the edge maxima to lower energy, consistent with a CN lower than 6. Mg-EXAFS on the same sample are in agreement and indicate the presence of 5-coordinated Mg with Mgsbnd O distances of 2.01Å. In aluminosilicate gels, Alsbnd K XANES has been used to investigate the [4]Al/Altotal ratios. These ratios increase as the Al/Si ratios decrease. Aluminosilicate and ferric-silicate gels were studied by using Sisbnd K edge XANES. XANES spectra differ significantly among the samples studied. Aluminosilicate gels with Al/Si= 1 present a different Al and Si local environment from that known in clay minerals with the same Al/Si ratio. The gel-to-mineral transformation thus implies a dissolution-recrystallization mechanism. On the contrary, ferric-silicate gel presents a Si local environment close to that found in nontronite which may be formed by a long range ordering of the initial gels.

  7. The local structure of Ca-Na pyroxenes. 2-Xanes studies at the Mg and A1 K edges

    International Nuclear Information System (INIS)

    Mottana, A.; Cibin, G.; Paris, E.; Giuli, G.; Florence Univ., Florence

    1999-01-01

    X-ray absorption spectra at the Mg and A1 K edges have been recorded on synthetic endmember diopside (Di) and jadeite (Jd) and on a series of natural Fe-poor Ca-Na clinopyroxenes compositionally straddling the Jd-Di join. The spectra of C2/c members of the series (C-omphacites) are different from having P2/n symmetry (P-omphacites). Differences can be explained by theoretical spectra calculated via the multiple-scattering formalism on atomic clusters with at least 89 atoms, extending to a. 0.62 nm away from the Mg viz. A1 absorber: Xanes detects in these systems medium- rather than short-range order-disorder relationships. Near-edge features of C-omphacites reflect the single-type of octahedral arrangement of the back scattering nearest-neighbours (six O atoms) around the absorber (Mg resp. A1) at the centre of the cluster (site M1). Others arise again from medium-range order. P-omphacites show more complicated spectra than C-omphacites. Their additional features reflect the increased local disorder around the probed atom (Mg resp. A1) induced by the two alternative M1, M11 configurations of the six O atoms forming the first co-ordination spheres. Mg and A1 are confirmed to be preferentially partitioned in the M1 resp. M11 site of the P-omphacite crystal structure, however never exclusively, but in a ratio close to 85:15 (plus or minus 10%) that implies a certain degree of local disorder. Changes in the relative heights of some prominent features are more evident in the A1 than in the Mg K-edge spectra. They are diagnostic to qualitatively distinguish C-from P-omphacites

  8. The local structure of Ca-Na pyroxenes. 2-Xanes studies at the Mg and A1 K edges

    Energy Technology Data Exchange (ETDEWEB)

    Mottana, A. [Rome Univ. Roma Tre, Rome (Italy). Dipt. di Scienze Geologiche; Murata, T. [Kyoto University of Education, Kyoto (Japan). Dept. of Physics; Marcelli, A. [Istituto Nazionale di Fisica Nucleare, Frascati, RM (Italy). Laboratori Nazionali di Frascati; Wu, Z.Y. [Istituto Nazionale di Fisica Nucleare, Frascati, RM (Italy). Laboratori Nazionali di Frascati]|[Laboratoire Piere Suee, Gif-sur Yvette Cedex, (France); Cibin, G. [Istituto Nazionale di Fisica Nucleare, Frascati, RM (Italy). Laboratori Nazionali di Frascati; Paris, E. [Camerino Univ., Camerino, MC (Italy). Dipt. di Scienze della Terra; Giuli, G. [Camerino Univ., Camerino, MC (Italy). Dipt. di Scienze della Terra]|[Florence Univ., Florence (Italy). Dipt. di Scienze della Terra

    1999-07-01

    X-ray absorption spectra at the Mg and A1 K edges have been recorded on synthetic end member diopside (Di) and jadeite (Jd) and on a series of natural Fe-poor Ca-Na clinopyroxenes compositionally straddling the Jd-Di join. The spectra of C2/c members of the series (C-omphacites) are different from having P2/n symmetry (P-omphacites). Differences can be explained by theoretical spectra calculated via the multiple-scattering formalism on atomic clusters with at least 89 atoms, extending to a. 0.62 nm away from the Mg viz. A1 absorber: Xanes detects in these systems medium- rather than short-range order-disorder relationships. Near-edge features of C-omphacites reflect the single-type of octahedral arrangement of the back scattering nearest-neighbours (six O atoms) around the absorber (Mg resp. A1) at the centre of the cluster (site M1). Others arise again from medium-range order. P-omphacites show more complicated spectra than C-omphacites. Their additional features reflect the increased local disorder around the probed atom (Mg resp. A1) induced by the two alternative M1, M11 configurations of the six O atoms forming the first co-ordination spheres. Mg and A1 are confirmed to be preferentially partitioned in the M1 resp. M11 site of the P-omphacite crystal structure, however never exclusively, but in a ratio close to 85:15 (plus or minus 10%) that implies a certain degree of local disorder. Changes in the relative heights of some prominent features are more evident in the A1 than in the Mg K-edge spectra. They are diagnostic to qualitatively distinguish C-from P-omphacites.

  9. 2D-PES/XAS method for atomic-layer-resolved magnetic structure analysis

    International Nuclear Information System (INIS)

    Matsui, F.; Daimon, H.; Matsushita, T.; Guo, F.Z.

    2008-01-01

    Photoelectron and Auger electron angular distributions from a localized core level provide information on atomic configurations. Forward-focusing peaks indicate the directions of atoms surrounding the excited atom. X-ray absorption fine structure and X-ray magnetic circular dichroism measurements by Auger electron yield detection on the other hand are excellent methods for studying of the electronic and magnetic structures of surfaces, adsorbates, and thin films. However, all the information from atoms within the electron mean-free-path region is averaged into the obtained spectra. Here, we introduce a new method of X-ray absorption spectroscopy (XAS) combined with measurements of Auger electron angular distribution using a display-type analyzer. Taking advantage of the forward-focusing peak as an excellent element- and site-selective probe, 2D-XAS enables direct access to the individual electronic and magnetic structures of each atomic layer. This method was applied to studying the electronic and magnetic structures of Ni thin film at atomic level. (author)

  10. The structure of ZrO2 phases and deviltrification processes in a Ca-Zr-Si-O-based glass ceramic: a combined a-XRD and XAS study

    International Nuclear Information System (INIS)

    Meneghini, C.; Mobilio, S.

    2004-01-01

    The structure of Zr atomic environment in a CaO-ZrO 2 -Si 2 glass ceramic as a function of thermal treatments has been studied, combining X-ray absorption spectroscopy (XAS), X-ray diffraction (XRD) and anomalous XRD (a-XRD) techniques. The analysis of XRD patterns demonstrates that the devitrification process proceeds through the partial segregation of Zr-depleted phases (wollastonite-like) and Zr-rich phases (Zr oxides). The XAS and a-XRD measurements at the Zr K-edge have been exploited in order to obtain a closer insight into the atomic structure around the Zr atoms. In the as-quenched glass the Zr atom is sixfold coordinated to O atoms in an amorphous environment rich in Ca and Si. Thermal treatment firstly (T=1273-1323 K) causes partial segragation of Zr in the form of an oxide with a tetragonal zirconia (t-ZrO 2 ) crystalline structure. Raising the temperature (T=1373 K) causes the formation of ZrO 2 crystallites in the monoclinic crystallographic phase (baddeleyite, m-ZrO 2 ). Analysis of the XAS data shows that a considerable amount of Zr remains in an amorphous calcium silicate phase. (orig.)

  11. In situ XAS of the solvothermal decomposition of dithiocarbamate complexes

    NARCIS (Netherlands)

    Islam, H.-U.; Roffey, A.; Hollingsworth, N.; Catlow, R.; Wolthers, M.; de Leeuw, N.H.; Bras, W.; Sankar, G.; Hogarth, G.

    2012-01-01

    An in situ XAS study of the solvothermal decomposition of iron and nickel dithiocarbamate complexes was performed in order to gain understanding of the decomposition mechanisms. This work has given insight into the steps involved in the decomposition, showing variation in reaction pathways between

  12. Synchrotron-based intra-venous K-edge digital subtraction angiography in a pig model: A feasibility study

    Energy Technology Data Exchange (ETDEWEB)

    Schueltke, Elisabeth [Departments of Surgery, University of Saskatchewan, Saskatoon, SK (Canada); Anatomy and Cell Biology, University of Saskatchewan, Saskatoon, SK (Canada); Department of Neurological Sciences, Walton Medical Centre, University of Liverpool, Liverpool L97 LJ (United Kingdom)], E-mail: e.schultke@usask.ca; Fiedler, Stefan [European Molecular Biology Laboratory (EMBL), Nottkestrasse 85, 22603 Hamburg (Germany); Nemoz, Christian [European Synchrotron Radiation Facility (ESRF), 6 rue Horowitz, 38043 Grenoble (France); Ogieglo, Lissa [Departments of Surgery, University of Saskatchewan, Saskatoon, SK (Canada); Kelly, Michael E. [Departments of Surgery, University of Saskatchewan, Saskatoon, SK (Canada); Department of Neurosurgery, Section of Cerebrovascular and Endovascular Neurosurgery, Cleveland Clinic, 9500 Euclid Avenue, Cleveland, OH (United States); Crawford, Paul [Royal Veterinary College, Hawkshead Lane, North Mymms, Hatfield, Herfordshire AL9 7TA (United Kingdom); Esteve, Francois [INSERM U836-ESRF, 6 rue Horowitz, 38043 Grenoble (France); Brochard, Thierry; Renier, Michel; Requardt, Herwig; Le Duc, Geraldine [European Synchrotron Radiation Facility (ESRF), 6 rue Horowitz, 38043 Grenoble (France); Juurlink, Bernhard [Anatomy and Cell Biology, University of Saskatchewan, Saskatoon, SK (Canada); Meguro, Kotoo [Departments of Surgery, University of Saskatchewan, Saskatoon, SK (Canada)

    2010-03-15

    Background: K-edge digital subtraction angiography (KEDSA) combined with the tunability of synchrotron beam yields an imaging technique that is highly sensitive to low concentrations of contrast agents. Thus, contrast agent can be administered intravenously, obviating the need for insertion of a guided catheter to deliver a bolus of contrast agent close to the target tissue. With the high-resolution detectors used at synchrotron facilities, images can be acquired at high spatial resolution. Thus, the KEDSA appears particularly suited for studies of neurovascular pathology in animal models, where the vascular diameters are significantly smaller than in human patients. Materials and methods: This feasibility study was designed to test the suitability of KEDSA after intravenous injection of iodine-based contrast agent for use in a pig model. Four adult male pigs were used for our experiments. Neurovascular angiographic images were acquired using KEDSA with a solid state Germanium (Ge) detector at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France. Results: After intravenous injection of 0.9 ml/kg iodinated contrast agent (Xenetix), the peak iodine concentrations in the internal carotid and middle cerebral arteries reached 35 mg/ml. KEDSA images in radiography mode allowed the visualization of intracranial arteries of less than 1.5 mm diameter.

  13. Sulfur K-edge absorption spectroscopy on selected biological systems; Schwefel-K-Kanten-Absorptionsspektroskopie an ausgewaehlten biologischen Systemen

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberg, Henning

    2008-07-15

    Sulfur is an essential element in organisms. In this thesis investigations of sulfur compounds in selected biological systems by XANES (X-ray Absorption Near Edge Structure) spectroscopy are reported. XANES spectroscopy at the sulfur K-edge provides an excellent tool to gain information about the local environments of sulfur atoms in intact biological samples - no extraction processes are required. Spatially resolved measurements using a Kirkpatrick-Baez mirror focusing system were carried out to investigate the infection of wheat leaves by rust fungi. The results give information about changes in the sulfur metabolism of the host induced by the parasite and about the extension of the infection into visibly uninfected plant tissue. Furthermore, XANES spectra of microbial mats from sulfidic caves were measured. These mats are dominated by microbial groups involved in cycling sulfur. Additionally, the influence of sulfate deprivation and H{sub 2}S exposure on sulfur compounds in onion was investigated. To gain an insight into the thermal degradation of organic material the influence of roasting of sulfur compounds in coffee beans was studied. (orig.)

  14. Resonant soft x-ray reflectivity of Me/B4C multilayers near the boron K edge

    Energy Technology Data Exchange (ETDEWEB)

    Ksenzov, Dmitriy; Schlemper, Christoph; Pietsch, Ullrich

    2010-09-01

    Energy dependence of the optical constants of boron carbide in the short period Ru/B4C and Mo/B4C multilayers (MLs) are evaluated from complete reflectivity scans across the boron K edge using the energy-resolved photon-in-photon-out method. Differences between the refractive indices of the B4Cmaterial inside and close to the surface are obtained from the peak profile of the first order ML Bragg peak and the reflection profile near the critical angle of total external reflection close to the surface. Where a Mo/B4C ML with narrow barrier layers appears as a homogeneous ML at all energies, a Ru/B4C ML exhibits another chemical nature of boron at the surface compared to the bulk. From evaluation of the critical angle of total external reflection in the energy range between 184 and 186 eV, we found an enriched concentration of metallic boron inside the Ru-rich layer at the surface, which is not visible in other energy ranges.

  15. Synchrotron-based intra-venous K-edge digital subtraction angiography in a pig model: A feasibility study

    International Nuclear Information System (INIS)

    Schueltke, Elisabeth; Fiedler, Stefan; Nemoz, Christian; Ogieglo, Lissa; Kelly, Michael E.; Crawford, Paul; Esteve, Francois; Brochard, Thierry; Renier, Michel; Requardt, Herwig; Le Duc, Geraldine; Juurlink, Bernhard; Meguro, Kotoo

    2010-01-01

    Background: K-edge digital subtraction angiography (KEDSA) combined with the tunability of synchrotron beam yields an imaging technique that is highly sensitive to low concentrations of contrast agents. Thus, contrast agent can be administered intravenously, obviating the need for insertion of a guided catheter to deliver a bolus of contrast agent close to the target tissue. With the high-resolution detectors used at synchrotron facilities, images can be acquired at high spatial resolution. Thus, the KEDSA appears particularly suited for studies of neurovascular pathology in animal models, where the vascular diameters are significantly smaller than in human patients. Materials and methods: This feasibility study was designed to test the suitability of KEDSA after intravenous injection of iodine-based contrast agent for use in a pig model. Four adult male pigs were used for our experiments. Neurovascular angiographic images were acquired using KEDSA with a solid state Germanium (Ge) detector at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France. Results: After intravenous injection of 0.9 ml/kg iodinated contrast agent (Xenetix), the peak iodine concentrations in the internal carotid and middle cerebral arteries reached 35 mg/ml. KEDSA images in radiography mode allowed the visualization of intracranial arteries of less than 1.5 mm diameter.

  16. Synchrotron-based intra-venous K-edge digital subtraction angiography in a pig model: a feasibility study.

    Science.gov (United States)

    Schültke, Elisabeth; Fiedler, Stefan; Nemoz, Christian; Ogieglo, Lissa; Kelly, Michael E; Crawford, Paul; Esteve, Francois; Brochard, Thierry; Renier, Michel; Requardt, Herwig; Le Duc, Geraldine; Juurlink, Bernhard; Meguro, Kotoo

    2010-03-01

    K-edge digital subtraction angiography (KEDSA) combined with the tunability of synchrotron beam yields an imaging technique that is highly sensitive to low concentrations of contrast agents. Thus, contrast agent can be administered intravenously, obviating the need for insertion of a guided catheter to deliver a bolus of contrast agent close to the target tissue. With the high-resolution detectors used at synchrotron facilities, images can be acquired at high spatial resolution. Thus, the KEDSA appears particularly suited for studies of neurovascular pathology in animal models, where the vascular diameters are significantly smaller than in human patients. This feasibility study was designed to test the suitability of KEDSA after intravenous injection of iodine-based contrast agent for use in a pig model. Four adult male pigs were used for our experiments. Neurovascular angiographic images were acquired using KEDSA with a solid state Germanium (Ge) detector at the European Synchrotron Radiation Facility (ESRF) in Grenoble, France. After intravenous injection of 0.9 ml/kg iodinated contrast agent (Xenetix), the peak iodine concentrations in the internal carotid and middle cerebral arteries reached 35 mg/ml. KEDSA images in radiography mode allowed the visualization of intracranial arteries of less than 1.5mm diameter. Copyright 2009 Elsevier Ireland Ltd. All rights reserved.

  17. Origin of the chemical shift in X-ray absorption near-edge spectroscopy at the Mn K-Edge in manganese oxide compounds

    NARCIS (Netherlands)

    de Vries, AH; Hozoi, L.; Broer, R.

    2003-01-01

    The absorption edge in Mn K-edge X-ray absorption spectra of manganese oxide compounds shows a shift of several electronvolts in going from MnO through LaMnO3 to CaMnO3. On the other hand, in X-ray photoelectron spectra much smaller shifts are observed. To identify the mechanisms that cause the

  18. In situ observation of Cu-Ni alloy nanoparticle formation by X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy: Influence of Cu/Ni ratio

    DEFF Research Database (Denmark)

    Wu, Qiongxiao; Duchstein, Linus Daniel Leonhard; Chiarello, Gian Luca

    2014-01-01

    Silica-supported, bimetallic Cu-Ni nanomaterials were prepared with different ratios of Cu to Ni by incipient wetness impregnation without a specific calcination step before reduction. Different in situ characterization techniques, in particular transmission electron microscopy (TEM), X-ray...... diffraction (XRD), and X-ray absorption spectroscopy (XAS), were applied to follow the reduction and alloying process of Cu-Ni nanoparticles on silica. In situ reduction of Cu-Ni samples with structural characterization by combined synchrotron XRD and XAS reveals a strong interaction between Cu and Ni species......, which results in improved reducibility of the Ni species compared with monometallic Ni. At high Ni concentrations silica-supported Cu-Ni alloys form a homogeneous solid solution of Cu and Ni, whereas at lower Ni contents Cu and Ni are partly segregated and form metallic Cu and Cu-Ni alloy phases. Under...

  19. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    International Nuclear Information System (INIS)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-01-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2 Ge 0.8 Cr 0.2 O 4 , Ba 2 Ge 0.1 Cr 0.9 O 4 , Sr 2 CrO 4 , Ca 2 (PO 4 ) x (CrO 4 ) 1-x Cl (x=0.25,0.5), Ca 5 (CrO 4 ) 3 Cl, CrO 3 , the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3 , CrF 3 , Cr 2 O 3 , KCr(SO 4 ) 2 · 12H 2 O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code

  20. The local structure of CaNa pyroxenes. I. XANES study at the Na K-edge

    International Nuclear Information System (INIS)

    Mottana, Annibale; Murata, T.; Wu, Ziyu; Marcelli, Augusto; Paris, E.

    1996-07-01

    X-ray absorption Na K-edge spectra have been recorded on synthetic end member jadeite and on a series of natural Ca-Na pyroxenes compositionally straddling the Jd-Di. The disordered C2/c members of the series are systematically different from the ordered P2/n members. These differences can be interpreted and explained by comparing the experimental spectra with theoretical spectra. These have been calculated by the multiple-scattering formalism from the atomic positional parameters determined by single-crystal X-ray diffraction structure refinement on the same samples. In the full multiple scattering region of the spectrum (1075 to 1095 eV) C-pyroxenes exhibit three features which reflect the 6-2 configuration of the O back-scattering atoms around the Na absorber located at the center of the cluster (site M2 of the jadeite structure). P-pyroxenes show more complicated spectra in which at least four features can be recognized; they reflect the two types of the configuration (6-2 and 4-2-2) of the oxygens around Na in the two independent M2 and M21 eight-fold coordinated sites of the omphacite structure. A weak, sometimes poorly resolved peak at 1079 eV diagnostic and discriminates C- from P-pyroxenes. The Garnet Ridge C2/c impure jadeite exhibits a spectrum which is intermediate between those of jadeite and omphacite. The Hedin-Lundqist potential proves best for these insulating materials and allows multiple-scattering calculations agreeing well with experiments. The assessment of the local electronic properties of compositionally and structurally complex minerals such as clinopyroxenes is thus enhanced

  1. The local structure of Ca{sub N}a pyroxenes. I. XANES study at the Na K-edge

    Energy Technology Data Exchange (ETDEWEB)

    Mottana, Annibale [Rome, Univ. III (Italy). Dipt. di Scienze Geologiche; Murata, T. [Kyoto, Univ. of Education (Japan). Dept. of Physics; Wu, Ziyu; Marcelli, Augusto [INFN, Frascati (Italy). Laboratori Nazionali di Frascati; Paris, E. [Camerino, Univ. (Italy). Dipt. di Scienze della Terra

    1996-07-01

    X-ray absorption Na K-edge spectra have been recorded on synthetic end member jadeite and on a series of natural Ca-Na pyroxenes compositionally straddling the Jd-Di. The disordered C2/c members of the series are systematically different from the ordered P2/n members. These differences can be interpreted and explained by comparing the experimental spectra with theoretical spectra. These have been calculated by the multiple-scattering formalism from the atomic positional parameters determined by single-crystal X-ray diffraction structure refinement on the same samples. In the full multiple scattering region of the spectrum (1075 to 1095 eV) C-pyroxenes exhibit three features which reflect the 6-2 configuration of the O back-scattering atoms around the Na absorber located at the center of the cluster (site M2 of the jadeite structure). P-pyroxenes show more complicated spectra in which at least four features can be recognized; they reflect the two types of the configuration (6-2 and 4-2-2) of the oxygens around Na in the two independent M2 and M21 eight-fold coordinated sites of the omphacite structure. A weak, sometimes poorly resolved peak at 1079 eV diagnostic and discriminates C- from P-pyroxenes. The Garnet Ridge C2/c impure jadeite exhibits a spectrum which is intermediate between those of jadeite and omphacite. The Hedin-Lundqist potential proves best for these insulating materials and allows multiple-scattering calculations agreeing well with experiments. The assessment of the local electronic properties of compositionally and structurally complex minerals such as clinopyroxenes is thus enhanced.

  2. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D

    2004-05-10

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca{sub 2}Ge{sub 0.8}Cr{sub 0.2}O{sub 4}, Ba{sub 2}Ge{sub 0.1}Cr{sub 0.9}O{sub 4}, Sr{sub 2}CrO{sub 4}, Ca{sub 2}(PO{sub 4}){sub x}(CrO{sub 4}){sub 1-x}Cl (x=0.25,0.5), Ca{sub 5}(CrO{sub 4}){sub 3}Cl, CrO{sub 3}, the octahedrally coordinated compounds Cr(II)-acetate, CrCl{sub 3}, CrF{sub 3}, Cr{sub 2}O{sub 3}, KCr(SO{sub 4}){sub 2} {center_dot} 12H{sub 2}O, CrO{sub 2} and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  3. The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

    Science.gov (United States)

    Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

    2004-05-01

    X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

  4. UMo nuclear fuels behaviour under heavy ion irradiation: a μ-XAS study

    International Nuclear Information System (INIS)

    Palancher, H.; Martin, P.; Dubois, S.; Valot, C.; Sabathier, C.; Palancher, H.; Nassif, V.; Proux, O.; Hazemann, J.L.; Wieschalla, N.; Petry, W.; Jarousse, C.

    2007-01-01

    defined on the basis of μ-XRD measurements. Thus we performed a μ-EXAFS study at the Mo K edge on BM30B at the ESRF using two Rh-coated mirrors installed in the Kirkpatrik-Baez geometry. The size of the spot was lower than 20 x 10 μm 2 . This poster will be focused on the results of these measurements. (authors)

  5. Sulfur K-edge X-ray absorption spectroscopy and density functional theory calculations on monooxo Mo(IV) and bisoxo Mo(VI) bis-dithiolenes: insights into the mechanism of oxo transfer in sulfite oxidase and its relation to the mechanism of DMSO reductase.

    Science.gov (United States)

    Ha, Yang; Tenderholt, Adam L; Holm, Richard H; Hedman, Britt; Hodgson, Keith O; Solomon, Edward I

    2014-06-25

    Sulfur K-edge X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations have been used to determine the electronic structures of two complexes [Mo(IV)O(bdt)2](2-) and [Mo(VI)O2(bdt)2](2-) (bdt = benzene-1,2-dithiolate(2-)) that relate to the reduced and oxidized forms of sulfite oxidase (SO). These are compared with those of previously studied dimethyl sulfoxide reductase (DMSOr) models. DFT calculations supported by the data are extended to evaluate the reaction coordinate for oxo transfer to a phosphite ester substrate. Three possible transition states are found with the one at lowest energy, stabilized by a P-S interaction, in good agreement with experimental kinetics data. Comparison of both oxo transfer reactions shows that in DMSOr, where the oxo is transferred from the substrate to the metal ion, the oxo transfer induces electron transfer, while in SO, where the oxo transfer is from the metal site to the substrate, the electron transfer initiates oxo transfer. This difference in reactivity is related to the difference in frontier molecular orbitals (FMO) of the metal-oxo and substrate-oxo bonds. Finally, these experimentally related calculations are extended to oxo transfer by sulfite oxidase. The presence of only one dithiolene at the enzyme active site selectively activates the equatorial oxo for transfer, and allows facile structural reorganization during turnover.

  6. Probing single magnon excitations in Sr2IrO4 using O K-edge resonant inelastic x-ray scattering

    International Nuclear Information System (INIS)

    Liu, X; Ding, H; Dean, M P M; Yin, W G; Hill, J P; Liu, J; Ramesh, R; Chiuzbăian, S G; Jaouen, N; Nicolaou, A; Serrao, C Rayan

    2015-01-01

    Resonant inelastic x-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin–orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr 2 IrO 4 , where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolution in the hard x-ray region is usually poor. (fast track communication)

  7. Optical properties of boron carbide near the boron K edge evaluated by soft-x-ray reflectometry from a Ru/B4C multilayer

    Energy Technology Data Exchange (ETDEWEB)

    Ksenzov, Dmitriy; Panzner, Tobias; Schlemper, Christoph; Morawe, Christian; Pietsch, Ullrich

    2009-12-10

    Soft-x-ray Bragg reflection from two Ru/B4C multilayers with 10 and 63 periods was used for independent determination of both real and imaginary parts of the refractive index n = 1 -{delta} + i{beta} close to the boron K edge ({approx}188 eV). Prior to soft x-ray measurements, the structural parameters of the multilayers were determined by x-ray reflectometry using hard x rays. For the 63-period sample, the optical properties based on the predictions made for elemental boron major deviations were found close to the K edge of boron for the 10-period sample explained by chemical bonding of boron to B4C and various boron oxides.

  8. User's guide for the portable microprocessor equipment: 'KfK K-edge densitometer' for quantitative determination of Th, U, Np, Pu, Am in solutions

    International Nuclear Information System (INIS)

    Michel-Piper, I.; Matussek, P.

    1985-06-01

    This report describes the hardware and software features, and the use of the microprocessor-controlled multichannel analyzer system SILENA + IRIS. The self-contained portable system, which permits independent accumulation and evaluation of spectral data from the KfK K-edge densitometer, provides one of the possible means for the authentication of resident instruments by safeguards inspectors. The 'K-Edge' program, written in PL/M language for compatibility with the system's firmware, allows fully automated assays of heavy element concentrations in solutions by means of X-ray absorption edge spectrometry. It is primarily intended for highly accurate determinations of the U and Pu content in process- and product solutions of a reprocessing plant. (orig.)

  9. Sn-L3 EDGE and Fe K edge XANES spectra of the surface layer of ancient Chinese black mirror Heiqigu

    International Nuclear Information System (INIS)

    Gaowei Mengjia; Liu Yuzhen; Chu Wangsheng; Wu Ziyu; Wang Changsui

    2009-01-01

    The Chinese ancient black mirror known as Heiqigu was studied by x-ray-absorption near-edge structure spectroscopy and results were reported. The Sn-L 3 edge and Fe K edge spectra further confirmed the Schottky-type defect model in the Heiqigu surface system. And it was suggested that the surface layer of the mirror was a combined structure of oxidation of Sn(IV) and Sn(II). (authors)

  10. Mn K-edge XANES spectroscopy of photosynthetic water oxidation enzyme in the S0-, S1-, S2- and S3-states induced by flash excitation

    International Nuclear Information System (INIS)

    Ono, Taka-aki; Noguchi, Takumi; Inoue, Yorinao; Kusunoki, Masami; Matsushita, Tadashi; Oyanagi, Hiroyuki.

    1993-01-01

    Electronic and structural rearrangement of the Mn-cluster during the four step oxidation of water in photosynthetic oxygen evolution was studied by XANES spectroscopy. The Mn K-edge energy of the spectrum was changed with flash number to show a clear quadruple oscillation, indicating a periodic change in oxidation and electronic state of the Mn-cluster depending on Joliot and Kok's oxygen clock. (author)

  11. Determining metal ion distributions using resonant scattering at very high-energy K-edges: Bi/Pb in Pb5Bi6Se14

    International Nuclear Information System (INIS)

    Zhang Yuegang; Lee, P.L.; Shastri, S.D.; Shu Deming; Wilkinson, A.P.; Chung Duck-Young; Kanatzidis, M.G.

    2005-01-01

    Powder diffraction data collected at ∝ 86 keV, and just below both the Pb and the Bi K-edges, on an imaging plate detector using synchrotron radiation from the Advanced Photon Source have been used to examine the Pb/Bi distribution over the 11 crystallographically distinct sites in Pb 5 Bi 6 Se 14 [space group P2 1 /m, a=16.0096(2) Aa, b=4.20148(4) Aa, c=21.5689(3) Aa and β=97.537(1) 0 ]. The scattering factors needed for the analyses were determined both by Kramers- Kronig transformation of absorption spectra and by analyses of diffraction patterns from reference compounds. Even with the relatively low scattering contrast that is available at the K-edges, it was possible to determine the Pb/Bi distribution and probe the presence of cation site vacancies in the material. The current results indicate that resonant scattering measurements at high-energy K-edges are a viable, and perhaps preferable, route to site occupancies when absorption from the sample or sample environment/container is a major barrier to the acquisition of high-quality resonant scattering data at lower-energy edges

  12. Performance of computed tomography for contrast agent concentration measurements with monochromatic x-ray beams: comparison of K-edge versus temporal subtraction

    International Nuclear Information System (INIS)

    Elleaume, H.; Charvet, A.M.; Corde, S.; Esteve, F.; Le Bas, J.F.

    2002-01-01

    We investigated the performance of monochromatic computed tomography for the quantification of contrast agent concentrations. Two subtraction methods (K-edge subtraction and temporal subtraction) were evaluated and compared theoretically and experimentally in terms of detection limit, precision and accuracy. Measurements were performed using synchrotron x-rays with Lucite phantoms (10 cm and 17.5 cm in diameter) containing iodine or gadolinium solutions ranging from 50 μg ml -1 to 5 mg ml -1 . The experiments were carried out using monochromators developed at the European Synchrotron Radiation Facility (ESRF) medical beamline. The phantoms were imaged either above and below the contrast agent K-edge, or before and after the addition of the contrast agent. Both methods gave comparable performance for phantoms less than 10 cm in diameter. For large phantoms, equivalent to a human head, the temporal subtraction is more suitable for detecting elements such as iodine, keeping a reasonable x-ray dose delivered to the phantom. A good agreement was obtained between analytical calculations, simulations and measurements. The beam harmonic content was taken into account in the simulations. It explains the performance degradation with high contrast agent concentrations. The temporal subtraction technique has the advantage of energy tunability and is well suited for imaging elements, such as iodine or gadolinium, in highly absorbing samples. For technical reasons, the K-edge method is preferable when the imaged organ is moving since the two measurements can be performed simultaneously, which is mandatory for obtaining a good subtraction. (author)

  13. Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment

    Energy Technology Data Exchange (ETDEWEB)

    Baiardi, Alberto; Mendolicchio, Marco; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it [Scuola Normale Superiore, Piazza dei Cavalieri 7, 56125 Pisa (Italy); Fronzoni, Giovanna; Cardenas Jimenez, Gustavo Adolfo; Stener, Mauro; Grazioli, Cesare [Dipartimento di Scienze Chimiche e Farmaceutiche, Universita’ di Trieste, Via Giorgieri 1, 34127 Trieste (Italy); Simone, Monica de [CNR-IOM, Laboratorio TASC, Area Science Park Basovizza, 34149 Trieste (Italy); Coreno, Marcello [CNR-ISM, UOS Trieste, Area Science Park Basovizza, 34149 Trieste (Italy)

    2015-11-28

    In the present work, the near edge X-ray absorption spectroscopy (NEXAFS) spectra at both C and N K-edges of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine have been studied both experimentally and theoretically. From an electronic point of view, both transition potential density functional theory and time-dependent density functional theory approaches lead to reliable results provided that suitable basis sets and density functionals are employed. In this connection, the global hybrid B3LYP functional in conjunction with the EPR-III basis set appears particularly suitable after constant scaling of the band positions. For the N K-edge, vertical energies obtained at these levels and broadened by symmetric Gaussian distributions provide spectra in reasonable agreement with the experiment. Vibronic contributions further modulate the band-shapes leading to a better agreement with the experimental results, but are not strictly necessary for semi-quantitative investigations. On the other hand, vibronic contributions are responsible for strong intensity redistribution in the NEXAFS C K-edge spectra, and their inclusion is thus mandatory for a proper description of experiments. In this connection, the simple vertical gradient model is particularly appealing in view of its sufficient reliability and low computational cost. For more quantitative results, the more refined vertical Hessian approach can be employed, and its effectiveness has been improved thanks to a new least-squares fitting approach.

  14. In situ removal of carbon contamination from a chromium-coated mirror: ideal optics to suppress higher-order harmonics in the carbon K-edge region.

    Science.gov (United States)

    Toyoshima, Akio; Kikuchi, Takashi; Tanaka, Hirokazu; Mase, Kazuhiko; Amemiya, Kenta

    2015-11-01

    Carbon-free chromium-coated optics are ideal in the carbon K-edge region (280-330 eV) because the reflectivity of first-order light is larger than that of gold-coated optics while the second-order harmonics (560-660 eV) are significantly suppressed by chromium L-edge and oxygen K-edge absorption. Here, chromium-, gold- and nickel-coated mirrors have been adopted in the vacuum ultraviolet and soft X-ray branch beamline BL-13B at the Photon Factory in Tsukuba, Japan. Carbon contamination on the chromium-coated mirror was almost completely removed by exposure to oxygen at a pressure of 8 × 10(-2) Pa for 1 h under irradiation of non-monochromated synchrotron radiation. The pressure in the chamber recovered to the order of 10(-7) Pa within a few hours. The reflectivity of the chromium-coated mirror of the second-order harmonics in the carbon K-edge region (560-660 eV) was found to be a factor of 0.1-0.48 smaller than that of the gold-coated mirror.

  15. XAS study of TiO2-based nanomaterials

    Science.gov (United States)

    Schneider, K.; Zajac, D.; Sikora, M.; Kapusta, Cz.; Michalow-Mauke, K.; Graule, Th.; Rekas, M.

    2015-07-01

    X-Ray Absorption Spectroscopy studies of the W (0-1 at% W) and Mo-doped TiO2 (0-1 at% Mo) nanoparticle specimens at the K edges of titanium and molybdenum as well as at the L2 L3 edges of tungsten are presented. The materials were prepared with Flame Spray Synthesis process by oxidation of metal-organic precursors. The Ti:K edge spectra in the XANES range show pre-edge and post-edge features characteristic for anatase. A decrease of the amplitude of the EXAFS function with doping is observed and attributed to a softening of the crystal lattice. The Mo EXAFS functions show a considerable decrease of the second-neighbour-shell peak with increasing Mo content, which is attributed to an increased number of cation vacancies. For tungsten a less pronounced effect is observed. The Mo and W XANES spectra do not show noticeable changes with doping level, which indicates their unchanged oxidation states.

  16. XAS and XMCD investigation of Mn12 monolayers on gold.

    Science.gov (United States)

    Mannini, Matteo; Sainctavit, Philippe; Sessoli, Roberta; Cartier dit Moulin, Christophe; Pineider, Francesco; Arrio, Marie-Anne; Cornia, Andrea; Gatteschi, Dante

    2008-01-01

    The deposition of Mn(12) single molecule magnets on gold surfaces was studied for the first time using combined X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) methods at low temperature. The ability of the proposed approach to probe the electronic structure and magnetism of Mn(12) complexes without significant sample damage was successfully checked on bulk samples. Detailed information on the oxidation state and magnetic polarization of manganese ions in the adsorbates was obtained from XAS and XMCD spectra, respectively. Partial reduction of metal ions to Mn(II) was clearly observed upon deposition on Au(111) of two different Mn(12) derivatives bearing 16-acetylthio-hexadecanoate and 4-(methylthio)benzoate ligands. The average oxidation state, as well as the relative proportions of Mn(II), Mn(III) and Mn(IV) species, are strongly influenced by the deposition protocol. Furthermore, the local magnetic polarizations are significantly decreased as compared with bulk Mn(12) samples. The results highlight an utmost redox instability of Mn(12) complexes at gold surfaces, presumably accompanied by structural rearrangements, which cannot be easily revealed by standard surface analysis based on X-ray photoelectron spectroscopy and scanning tunnelling microscopy.

  17. Demonstration of iodine K-edge imaging by use of an energy-discrimination X-ray computed tomography system with a cadmium telluride detector.

    Science.gov (United States)

    Abudurexiti, Abulajiang; Kameda, Masashi; Sato, Eiichi; Abderyim, Purkhet; Enomoto, Toshiyuki; Watanabe, Manabu; Hitomi, Keitaro; Tanaka, Etsuro; Mori, Hidezo; Kawai, Toshiaki; Takahashi, Kiyomi; Sato, Shigehiro; Ogawa, Akira; Onagawa, Jun

    2010-07-01

    An energy-discrimination K-edge X-ray computed tomography (CT) system is useful for increasing the contrast resolution of a target region by utilizing contrast media. The CT system has a cadmium telluride (CdTe) detector, and a projection curve is obtained by linear scanning with use of the CdTe detector in conjunction with an X-stage. An object is rotated by a rotation step angle with use of a turntable between the linear scans. Thus, CT is carried out by repetition of the linear scanning and the rotation of an object. Penetrating X-ray photons from the object are detected by the CdTe detector, and event signals of X-ray photons are produced with use of charge-sensitive and shaping amplifiers. Both the photon energy and the energy width are selected by use of a multi-channel analyzer, and the number of photons is counted by a counter card. For performing energy discrimination, a low-dose-rate X-ray generator for photon counting was developed; the maximum tube voltage and the minimum tube current were 110 kV and 1.0 microA, respectively. In energy-discrimination CT, the tube voltage and the current were 60 kV and 20.0 microA, respectively, and the X-ray intensity was 0.735 microGy/s at 1.0 m from the source and with a tube voltage of 60 kV. Demonstration of enhanced iodine K-edge X-ray CT was carried out by selection of photons with energies just beyond the iodine K-edge energy of 33.2 keV.

  18. K-edge x-ray dichroism investigation of Fe1−xCoxSi: Experimental evidence for spin polarization crossover

    International Nuclear Information System (INIS)

    Hearne, G.R.; Diguet, G.; Baudelet, F.; Itié, J.-P.; Manyala, N.

    2015-01-01

    Both Fe and Co K-edge x-ray magnetic circular dichroism (XMCD) have been employed as element-specific probes of the magnetic moments in the composition series of the disordered ferromagnet Fe 1−x Co x Si (for x=0.2, 0.3, 0.4, 0.5). A definitive single peaked XMCD profile occurs for all compositions at both Fe and Co K-edges. The Fe 4p orbital moment, deduced from the integral of the XMCD signal, has a steep dependence on x at low doping levels and evolves to a different (weaker) dependence at x≥0.3, similar to the behavior of the magnetization in the Co composition range studied here. It is systematically higher, by at least a factor of two, than the corresponding Co orbital moment for most of the composition series. Fine structure beyond the K-edge absorption (limited range EXAFS) suggests that the local order (atomic environment) is very similar across the series, from the perspective of both the Fe and Co absorbing atom. The variation in the XMCD integral across the Co composition range has two regimes, that which occurs below x=0.3 and then evolves to different behavior at higher doping levels. This is more conspicuously present in the Fe contribution. This is rationalized as the evolution from a half-metallic ferromagnet at low Co doping to that of a strong ferromagnet at x>0.3 and as such, spin polarization crossover occurs. The Fermi level is tuned from the majority spin band for x<0.3 where a strongly polarized majority spin electron gas prevails, to a regime where minority spin carriers dominate at higher doping. The evolution of the Fe-derived spin polarized (3d) bands, indirectly probed here via the 4p states, is the primary determinant of the doping dependence of the magnetism in this alloy series. - Highlights: • Element-specific probing of the electronic structure of the Fe 1−x Co x Si series. • XMCD at the level of 10 −4 at the K-edge in such low-moment systems. • Element-specific probing of magnetic contributions from both Fe and Co

  19. MO-FG-CAMPUS-IeP1-01: Alternative K-Edge Filters for Low-Energy Image Acquisition in Contrast Enhanced Spectral Mammography

    Energy Technology Data Exchange (ETDEWEB)

    Shrestha, S; Vedantham, S; Karellas, A [University of Massachusetts Medical School, Worcester, MA (United States)

    2016-06-15

    Purpose: In Contrast Enhanced Spectral Mammography (CESM), Rh filter is often used during low-energy image acquisition. The potential for using Ag, In and Sn filters, which exhibit K-edge closer to, and just below that of Iodine, instead of the Rh filter, was investigated for the low-energy image acquisition. Methods: Analytical computations of the half-value thickness (HVT) and the photon fluence per mAs (photons/mm2/mAs) for 50µm Rh were compared with other potential K-edge filters (Ag, In and Sn), all with K-absorption edge below that of Iodine. Two strategies were investigated: fixed kVp and filter thickness (50µm for all filters) resulting in HVT variation, and fixed kVp and HVT resulting in variation in Ag, In and Sn thickness. Monte Carlo simulations (GEANT4) were conducted to determine if the scatter-to-primary ratio (SPR) and the point spread function of scatter (scatter PSF) differed between Rh and other K-edge filters. Results: Ag, In and Sn filters (50µm thick) increased photon fluence/mAs by 1.3–1.4, 1.8–2, and 1.7–2 at 28-32 kVp compared to 50µm Rh, which could decrease exposure time. Additionally, the fraction of spectra closer to and just below Iodine’s K-edge increased with these filters, which could improve post-subtraction image contrast. For HVT matched to 50µm Rh filtered spectra, the thickness range for Ag, In, and Sn were (41,44)µm, (49,55)µm and (45,53)µm, and increased photon fluence/mAs by 1.5–1.7, 1.6–2, and 1.6–2.2, respectively. Monte Carlo simulations showed that neither the SPR nor the scatter PSF of Ag, In and Sn differed from Rh, indicating no additional detriment due to x-ray scatter. Conclusion: The use of Ag, In and Sn filters for low-energy image acquisition in CESM is potentially feasible and could decrease exposure time and may improve post-subtraction image contrast. Effect of these filters on radiation dose, contrast, noise and associated metrics are being investigated. Funding Support: Supported in

  20. Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

    International Nuclear Information System (INIS)

    Aken, P.A. van; Sharp, T.G.; Seifert, F.

    1998-01-01

    The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R∼0.172 nm and N∼5) to R∼0.167 nm and N∼4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of σ N 2 ∼83.8pm 2 as it changes from σ st 2 =51.8pm 2 for sixfold to σ qu 2 =18.4pm 2 for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of

  1. Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

    Science.gov (United States)

    van Aken, P. A.; Sharp, T. G.; Seifert, F.

    The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by

  2. Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

    International Nuclear Information System (INIS)

    Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Simon, Marc; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok

    2014-01-01

    We report a theoretical and experimental study of the high resolution resonant K α X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K α emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state

  3. Resonant inelastic x-ray scattering on iso-C2H2Cl2 around the chlorine K-edge: Structural and dynamical aspects

    Science.gov (United States)

    Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

    2014-10-01

    We report a theoretical and experimental study of the high resolution resonant Kα X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the Kα emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

  4. Resonant inelastic x-ray scattering on iso-C₂H₂Cl₂ around the chlorine K-edge: structural and dynamical aspects.

    Science.gov (United States)

    Kawerk, Elie; Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Piancastelli, Maria Novella; Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok; Kavčič, Matjaž; Céolin, Denis; Khoury, Antonio; Simon, Marc

    2014-10-14

    We report a theoretical and experimental study of the high resolution resonant K(α) X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K(α) emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

  5. Determination of the products from the oxidation of aqueous hydrogen sulfide by sulfur K-edge XANES spectroscopy

    International Nuclear Information System (INIS)

    Vairavamurthy, A.; Manowitz, B.; Jeon, Yongseog; Zhou, Weiqing.

    1993-01-01

    The application of synchrotron radiation based XANES spectroscopy is described for determining the products formed from oxidation of aqueous sulfide.This technique allows simultaneous characterization of all the different forms of sulfur both qualitatively and quantitatively. Thus, it is superior to other commonly used techniques, such as chromatography, which are usually targeted at specific compounds. Since the use of XANES-based technique is relatively new in geochemistry, we present here an overview of the principles of the technique as well as the approach used for quantitative analysis. We studied the sulfide oxidation under conditions of high sulfide to oxygen ratio using 0.1 M sulfide solutions and the catalytic effects of sea sand, Fe 2+ , and Ni 2+ , were also examined. Significant results obtained from this study are presented to illustrate the value of the XANES technique for the determination of the products formed from the oxidation of sulfide at high concentrations

  6. XAS study of the local environment of impurities in doped TiO{sub 2} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez Torres, C.E. [Departamento de Fisica e IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina)]. E-mail: torres@fisica.unlp.edu.ar; Cabrera, A.F. [Departamento de Fisica e IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina); Errico, L.A. [Departamento de Fisica e IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina); Duhalde, S. [Lab. de Ablacion Laser, FI-UBA (Argentina); Renteria, M. [Departamento de Fisica e IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina); Golmar, F. [Lab. de Ablacion Laser, FI-UBA (Argentina); Sanchez, F.H. [Departamento de Fisica e IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata (Argentina)

    2007-09-01

    In this work, we present an X-ray absorption spectroscopy (XAS) characterization of the local environment of the impurity in room temperature ferromagnetic (RTF) anatase TiO{sub 2} thin films doped with Co, Ni, Cu, or Zn, deposited on LaAlO{sub 3} substrate by pulsed laser deposition (PLD). It was found that there is a considerable amount of impurity atoms substituting Ti in TiO{sub 2} anatase, although the presence of metal transition monoxide clusters can not be discarded. From our results, we infer that the observed RT ferromagnetism of the samples could be assigned to the metal transition atoms replacing Ti in TiO{sub 2} anatase.

  7. Local environment of zirconium in nuclear gels studied by XAS

    International Nuclear Information System (INIS)

    Pelegrin, E.; Ildefonse, Ph.; Calas, G.; Ricol, St.; Flank, A.M.

    1997-01-01

    During lixiviation experiments, nuclear gels are formed and heavy metals are retained. In order to understand this retardation mechanisms, we performed an analysis of the local environment of Zr in parent glasses and derived alteration gels both at the Zr-L II,III , and Zr-K edges. Calibration of the method was conducted through the analysis of model compounds with known coordination number (CN): catapleite Na 2 ZrSi 3 O 9 ,2H 2 O (CN=6), baddeleyite ZrO 2 (CN=7) and zircon SiZrO 4 (CN=8). Nuclear glasses (R7T7, and a simplified nuclear glass V 1) and gels obtained at 90 deg C, with leaching times from 7 to 12 months and with solution renewal. were also investigated (GR7T7R and GV1). Zr-L II,III XANES spectra evidenced that zirconium is 6-fold coordinated in R7T7 and V1 nuclear glasses. For GR7T7R and GV1 gels, Zr local environment is significantly changed, and a mixture of CN (6 and 7J has been evidenced. Quantitative structural results were derived from EXAFS analysis at Zr-K edge. In parent glasses, derived Zr-O distance is 2.10±0.01 10 -10 m, and is in the range Zr-O distances for octahedral coordination in model compounds. In both gels studied, Zr-O distances increase significantly up to 2.15 ±0.01 10 -10 m. This distance is close to that known in baddeleyite (2,158 10 -10 m). A better understanding of the Zr retention mechanism has to be made by studying the second neighbors contributions. (authors)

  8. Structural Investigation of Fe-Ni-S and Fe-Ni-Si Melts by High-temperature Fluorescence XAFS Measurements

    International Nuclear Information System (INIS)

    Manghnani, Murli H.; Balogh, John; Hong Xinguo; Newville, Matthew; Amulele, G.

    2007-01-01

    Iron-nickel (Fe-Ni) alloy is regarded as the most abundant constituent of Earth's core, with an amount of 5.5 wt% Ni in the core based on geochemical and cosmochemical models. The structural role of nickel in liquid Fe-Ni alloys with light elements such as S or Si is poorly understood, largely because of the experimental difficulties of high-temperature melts. Recently, we have succeeded in acquiring Ni K-edge fluorescence x-ray absorption fine structure (XAFS) spectra of Fe-Ni-S and Fe-Ni-Si melts and alloys. Different structural environment of Ni atoms in Fe-Ni-S and Fe-Ni-Si melts is observed, supporting the effect of light elements in Fe-Ni melts

  9. Charge-transfer and Mott-Hubbard Excitations in FeBo3: Fe K-edge resonant Inelastic x-ray scattering study

    International Nuclear Information System (INIS)

    Kim, J.; Shvydko, Y.

    2011-01-01

    Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out successfully at the Fe K-edge for the first time. The RIXS spectra of a FeBO 3 single crystal reveal a wealth of information on ∼ 1-10 eV electronic excitations. The IXS signal resonates when the incident photon energy approaches the pre-edge (1s - -3d) and the main-edge (1s - -4p) of the Fe K-edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, photon polarization, and temperature. We present a multielectron analysis of the Mott-Hubbard (MH) and charge transfer (CT) excitations, and calculate their energies. Electronic excitations observed in the pre-edge and main-edge RIXS spectra are interpreted as MH and CT excitations, respectively. We propose the electronic structure around the chemical potential in FeBO 3 based on the experimental data.

  10. Arsenic K-edge X-ray absorption near-edge spectroscopy to determine oxidation states of arsenic of a coastal aquifer–aquitard system

    International Nuclear Information System (INIS)

    Wang, Ya; Jiao, Jiu Jimmy; Zhu, Sanyuan; Li, Yiliang

    2013-01-01

    Determination of oxidation states of solid-phase arsenic in bulk sediments is a valuable step in the evaluation of its bioavailability and environmental fate in deposits, but is difficult when the sediments have low arsenic contents and heterogeneous distribution of arsenic species. As K-edge X-ray absorption near-edge spectroscopy (XANES) was used to determine quantitatively the oxidation states of arsenic in sediments collected from different depths of boreholes in the Pearl River Delta, China, where the highest aquatic arsenic concentration is 161.4 μg/L, but the highest solid arsenic content only 39.6 mg/kg. The results demonstrated that XANES is efficient in determining arsenic oxidation states of the sediments with low arsenic contents and multiple arsenic species. The study on the high-resolution vertical variations of arsenic oxidation states also indicated that these states are influenced strongly by groundwater activities. With the help of geochemical data, solid arsenic speciation, toxicity and availability were further discussed. -- Highlights: •XANES is efficient in determining arsenic oxidation states of the bulk sediments. •Distribution of arsenic oxidation states is consistent with geochemical conditions. •Arsenic oxidation states are influenced strongly by groundwater activities. -- As K-edge X-ray absorption near-edge spectroscopy is efficient in determining arsenic oxidation states of the bulk sediments with low arsenic contents and heterogeneous distribution of arsenic species

  11. Nitrogen K-edge X-ray absorption near edge structure (XANES) spectra of purine-containing nucleotides in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, Hiroyuki; Fukao, Taishi; Minami, Hirotake; Ukai, Masatoshi [Department of Applied Physics, Tokyo University of Agriculture and Technology, Koganei-shi, Tokyo 184-8588 (Japan); Fujii, Kentaro; Yokoya, Akinari [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Fukuda, Yoshihiro; Saitoh, Yuji [Synchrotron Radiation Research Center, Japan Atomic Energy Agency, Sayo-gun, Hyougo 679-5148 (Japan)

    2014-08-07

    The N K-edge X-ray absorption near edge structure (XANES) spectra of the purine-containing nucleotide, guanosine 5{sup ′}-monophosphate (GMP), in aqueous solution are measured under various pH conditions. The spectra show characteristic peaks, which originate from resonant excitations of N 1s electrons to π* orbitals inside the guanine moiety of GMP. The relative intensities of these peaks depend on the pH values of the solution. The pH dependence is explained by the core-level shift of N atoms at specific sites caused by protonation and deprotonation. The experimental spectra are compared with theoretical spectra calculated by using density functional theory for GMP and the other purine-containing nucleotides, adenosine 5{sup ′}-monophosphate, and adenosine 5{sup ′}-triphosphate. The N K-edge XANES spectra for all of these nucleotides are classified by the numbers of N atoms with particular chemical bonding characteristics in the purine moiety.

  12. Non-destructive assay system for uranium and plutonium in reprocessing input solutions. Hybrid K-edge/XRF Densitometer. JASPAS JC-11 final report

    International Nuclear Information System (INIS)

    Surugaya, N.; Abe, K.; Kurosawa, A.; Ikeda, H.; Kuno, Y.

    1997-05-01

    As a part of JASPAS programme, a non-radioactive assay system for the accountability of uranium and plutonium in input dissolver solutions of a spent fuel reprocessing plant, called Hybrid K-edge/XRF Densitometer, has been developed at the Tokai Reprocessing plant (TRP) since 1991. The instrument is the one of the hybrid type combined K-edge densitometry (KED) and X-ray fluorescence (XRF) analysis. The KED is used to determine the uranium concentration and the XRF is used to determine the U/Pu ratio. These results give the plutonium concentration in consequence. It is considered that the instrument has the capability of timely on-site verification for input accountancy. The instrument had been installed in the analytical hot cell at the TRP and the experiments comparing with Isotope Dilution Mass Spectrometry (IDMS) method have been carried out. As the results of measurements for the actual input solutions in the acceptance and performance tests, it was typically confirmed that the precision for determining uranium concentration by the KED was within 0.2%, whereas the XRF for plutonium performed within 0.7%. This final report summarizes the design information and performance data so as to end the JASPAS programme. (author)

  13. Design of an electrochemical cell for in situ XAS studies

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, N. [Instituto de Quimica, Universidade Estadual de Campinas (UNICAMP), Box 6154, CEP 13083-970, Campinas, SP (Brazil); Morais, J. [Instituto de Fisica, Universidade Federal do Rio Grande do Sul (UFRGS), Avenida Bento Goncalves, 9500, Bairro Agronomia, CP 15051, CEP 91501-970, Porto Alegre, RS (Brazil); Alves, M.C.M. [Instituto de Quimica, Universidade Federal do Rio Grande do Sul (UFRGS), Avenida Bento Goncalves, 9500, Bairro Agronomia, CP 15003, CEP 91501-970, Porto Alegre, RS (Brazil)], E-mail: maria@iq.ufrgs.br

    2007-05-15

    In situ X-ray absorption spectroscopy (XAS) studies have been carried out on the electrochemical insertion of Co metal particles in polypyrrole. This has become possible due to the development of an electrochemical cell to allow XAS studies in fluorescence geometry under steady-state conditions. The experimental set-up allows the in situ monitoring of the structural and electronic changes of the selected atom in a matrix. The project of the electrochemical cell is presented with the results obtained at different stages of the electrochemical process. XANES and EXAFS results showed that the initial stage of the cobalt insertion in polypyrrole took place in an ionic form, like [-[(C{sub 4}H{sub 2}N){sub 3}CH{sub 3}(CH{sub 2}){sub 11}OSO{sub 3}{sup -}]{sub 6}Co{sup 2+}] with posterior reduction to a metallic form. The quantitative analysis of the first shell shows that, at -0.60 V, the cobalt atoms are surrounded by 6 ({+-}0.5) atoms located at 2.12 ({+-}0.05) A with a large Debye-Waller factor ({sigma}{sup 2}) value of 0.0368 ({+-}0.0074). At -0.80 V, two distances of R = 1.99 ({+-}0.01) and R = 2.50 ({+-}0.01) A show the coexistence of cobalt in the oxidized and reduced (Co{sup 0}) forms. The Co-Co distance corresponds to that of bulk cobalt. At -1.20 V, the obtained values of N = 12 ({+-}0.5) and R = 2.56 ({+-}0.01) A and a Debye-Waller factor of 0.0176 ({+-}0.0004) suggest the formation of metallic cobalt in a quite disordered form.

  14. A Monte Carlo simulation study of an improved K-edge log-subtraction X-ray imaging using a photon counting CdTe detector

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Youngjin, E-mail: radioyoungj@gmail.com [Department of Radiological Science, Eulji University, 553, Sanseong-daero, Sujeong-gu, Seongnam-si, Gyeonggi-do (Korea, Republic of); Lee, Amy Candy [Department of Mathematics and Statistics, McGill University (Canada); Kim, Hee-Joung [Department of Radiological Science and Radiation Convergence Engineering, Yonsei University (Korea, Republic of)

    2016-09-11

    Recently, significant effort has been spent on the development of photons counting detector (PCD) based on a CdTe for applications in X-ray imaging system. The motivation of developing PCDs is higher image quality. Especially, the K-edge subtraction (KES) imaging technique using a PCD is able to improve image quality and useful for increasing the contrast resolution of a target material by utilizing contrast agent. Based on above-mentioned technique, we presented an idea for an improved K-edge log-subtraction (KELS) imaging technique. The KELS imaging technique based on the PCDs can be realized by using different subtraction energy width of the energy window. In this study, the effects of the KELS imaging technique and subtraction energy width of the energy window was investigated with respect to the contrast, standard deviation, and CNR with a Monte Carlo simulation. We simulated the PCD X-ray imaging system based on a CdTe and polymethylmethacrylate (PMMA) phantom which consists of the various iodine contrast agents. To acquired KELS images, images of the phantom using above and below the iodine contrast agent K-edge absorption energy (33.2 keV) have been acquired at different energy range. According to the results, the contrast and standard deviation were decreased, when subtraction energy width of the energy window is increased. Also, the CNR using a KELS imaging technique is higher than that of the images acquired by using whole energy range. Especially, the maximum differences of CNR between whole energy range and KELS images using a 1, 2, and 3 mm diameter iodine contrast agent were acquired 11.33, 8.73, and 8.29 times, respectively. Additionally, the optimum subtraction energy width of the energy window can be acquired at 5, 4, and 3 keV for the 1, 2, and 3 mm diameter iodine contrast agent, respectively. In conclusion, we successfully established an improved KELS imaging technique and optimized subtraction energy width of the energy window, and based on

  15. Order-disorder in olivine minerals by synchrotron X-ray absorption near-edge structure (Xane) spectroscopy at the Mg, Fe and Ca K edges

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Z.; Marcelli, A.; Cibin, G. [Istituto Nazionale di Fisica Nucleare, Frascati, RM (Italy). Laboratori Nazionali di Frascati; Mottana, A. [Istituto Nazionale di Fisica Nucleare, Frascati, RM (Italy). Laboratori Nazionali di Frascati; Rome Univ. Roma Tre, Rome (Italy). Dipt. di Scienze Geologiche; Paris, E.; Giuli, G [INFM, Camerino Univ., Camerino, MC (Italy). Dipt. di Scienze della Terra

    1999-07-01

    In this paper, are presented new, high-resolution experimental spectra at the Mg and Fe K edges for the two Fe-Mg end members F o and F a, and for three other olivines. Two are the Ca end members of the family, namely monticellite (Mtc: CaMgSiO4) and kirschsteinite (Krs: CaFeSiO4). The main purpose of this work is to investigate the effects of Mg, Fe, and Ca partition in the Pbnm (or {alpha}) olivine structure on the electronic properties, as well as the relationships that exist between chemical substitutions and features occurring in Xanes spectra. One wants to explore the relationships that intervene between LRO, as determined by XRD, and SRO, as determined by Xanes, on the endmembers and on a well-known intermediate member as well, and deduce from it a model for the behavior of the entire olivine solid-solution system.

  16. Optimization of the k-edge filters utilization in the dental radiographs; Otimizacao da utilizacao dos filtros de aresta K na radiografias dentarias

    Energy Technology Data Exchange (ETDEWEB)

    Reyes, Luis M.G.; Almeida, Adelaide de [Sao Paulo Univ., Ribeirao Preto, SP (Brazil). Faculdade de Filosofia, Ciencias e Letras. Dept. de Fisica e Matematica

    2001-07-01

    The signal to noise ratio (S/N) of radiographic film images may be optimized if the thicknesses and atomic composition of the structures to be analyzed are known. With specifications and a knowledge of the interaction of photons with the materials, the photon energy for maximum contrast may be determined. We propose a K-edge filter in addition to the normal aluminum filter, to reduce the dose to the patient by the transmission of a narrow spectrum of photons with energies to optimize the image contrast. The optimum photon energy to obtain the best contrast between dental pulp and dentine and between dentine and dental enamel was determined to be 29-34 and 22-26 keV respectively. The filter material, which closely approximates these spectra, is made of Ce (Z=58) whose thickness is shown do depend on the parameters of the X-ray generator. (author)

  17. Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory

    International Nuclear Information System (INIS)

    Bolognesi, P.; O'Keeffe, P.; Ovcharenko, Y.; Coreno, M.; Avaldi, L.; Feyer, V.; Plekan, O.; Prince, K. C.; Zhang, W.; Carravetta, V.

    2010-01-01

    The inner shell excitation of pyrimidine and some halogenated pyrimidines near the C and N K-edges has been investigated experimentally by near edge x-ray absorption fine structure spectroscopy and theoretically by density functional theory calculations. The selected targets, 5-Br-pyrimidine, 2-Br-pyrimidine, 2-Cl-pyrimidine, and 5-Br-2-Cl-pyrimidine, allow the effects of the functionalization of the pyrimidine ring to be studied either as a function of different halogen atoms bound to the same molecular site or as a function of the same halogen atom bound to different molecular sites. The results show that the individual characteristics of the different spectra of the substituted pyrimidines can be rationalized in terms of variations in electronic and geometrical structures of the molecule depending on the localization and the electronegativity of the substituent.

  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. Order-disorder in olivine minerals by synchrotron X-ray absorption near-edge structure (Xane) spectroscopy at the Mg, Fe and Ca K edges

    International Nuclear Information System (INIS)

    Wu, Z.; Marcelli, A.; Cibin, G.; Mottana, A.; Rome Univ. Roma Tre, Rome; Paris, E.; Giuli, G.

    1999-01-01

    In this paper, are presented new, high-resolution experimental spectra at the Mg and Fe K edges for the two Fe-Mg endmembers F o and F a, and for three other olivines. Two are the Ca endmembers of the family, namely monticellite (Mtc: CaMgSiO4) and kirschsteinite (Krs: CaFeSiO4). The main purpose of this work is to investigate the effects of Mg, Fe, and Ca partition in the Pbnm (or α) olivine structure on the electronic properties, as well as the relationships that exist between chemical substitutions and features occurring in Xanes spectra. One wants to explore the relationships that intervene between LRO, as determined by XRD, and SRO, as determined by Xanes, on the endmembers and on a well-known intermediate member as well, and deduce from it a model for the behavior of the entire olivine solid-solution system

  20. Near K-edge measurement of the X-ray attenuation coefficient of heavy elements using a tuneable X-ray source based on an electron LINAC

    CERN Document Server

    Materna, T; Mondelaers, W; Masschaele, B

    2000-01-01

    The X-ray attenuation coefficients of bismuth and of uranium were measured in the regions of 40-240 and 70-240 keV, respectively, using a tuneable hard X-ray source based on the linear electron accelerator at the University of Ghent. Results were compared with the semi-empirical values of Storm and Israel and to the theoretical values of Berger and Hubbell. We also propose a simple function for the attenuation coefficient in the vicinity of the K-edge for uranium and in an extended range of energy for bismuth. The set-up of the source at Ghent is described and the future improvements are explained.

  1. The effect of hydrogen absorption on the structural, electronic and magnetic properties of the C15 Friauf-Laves phase compounds CeFe2, CeRu2 and LaRu2 : an x-ray absorption spectroscopy (XAS) study

    International Nuclear Information System (INIS)

    Chaboy, J.; Garcia, J.; Marcelli, A.

    1995-08-01

    An x-ray absorption spectroscopy (XAS) investigation of the structural changes occurred upon hydriding in the Friauf-Laves phase compounds CeFe 2 , CeRu 2 and LaRu 2 compounds is presented. The analysis of the extended x-ray absorption spectroscopy (EXAFS) spectra at the L-edges of the rare-earth and at the Fe K-edge indicates that the hydrogenation process leads to the suppression of the long-range crystalline order in all the hydride derivates investigated, as well as the different influence of H 2 in both the rare earth and transition metal sublattices. The correlation between the structural and magnetic changes induced by the hydrogen in the lost matrix is discussed in terms of the modification of the electronic properties, i.e., intermediate-valence of Ce, and of the hybridization between the transition metal and rare-earth

  2. Spectroscopic investigation of Ni speciation in hardened cement paste.

    Science.gov (United States)

    Vespa, M; Dähn, R; Grolimund, D; Wieland, E; Scheidegger, A M

    2006-04-01

    Cement-based materials play an important role in multi-barrier concepts developed worldwide for the safe disposal of hazardous and radioactive wastes. Cement is used to condition and stabilize the waste materials and to construct the engineered barrier systems (container, backfill, and liner materials) of repositories for radioactive waste. In this study, Ni uptake by hardened cement paste has been investigated with the aim of improving our understanding of the immobilization process of heavy metals in cement on the molecular level. X-ray absorption spectroscopy (XAS) coupled with diffuse reflectance spectroscopy (DRS) techniques were used to determine the local environment of Ni in cement systems. The Ni-doped samples were prepared at two different water/cement ratios (0.4, 1.3) and different hydration times (1 hour to 1 year) using a sulfate-resisting Portland cement. The metal loadings and the metal salts added to the system were varied (50 up to 5000 mg/kg; NO3(-), SO4(2-), Cl-). The XAS study showed that for all investigated systems Ni(ll) is predominantly immobilized in a layered double hydroxide (LDH) phase, which was corroborated by DRS measurements. Only a minor extent of Ni(ll) precipitates as Ni-hydroxides (alpha-Ni(OH)2 and beta-Ni(OH)2). This finding suggests that Ni-Al LDH, rather than Ni-hydroxides, is the solubility-limiting phase in the Ni-doped cement system.

  3. First-Principles Fe L 2,3 -Edge and O K-Edge XANES and XMCD Spectra for Iron Oxides

    Energy Technology Data Exchange (ETDEWEB)

    Sassi, Michel [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Pearce, Carolyn I. [Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Bagus, Paul S. [Department; Arenholz, Elke [Advanced; Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, Washington 99352, United States

    2017-10-02

    X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) spectroscopies are tools in widespread use for providing detailed local atomic structure, oxidation state, and magnetic structure information for materials and organometallic complexes. The analysis of these spectra for transition-metal L-edges is routinely performed on the basis of ligand-field multiplet theory because one- and two-particle mean-field ab initio methods typically cannot describe the multiplet structure. Here we show that multireference configuration interaction (MRCI) calculations can satisfactorily reproduce measured XANES spectra for a range of complex iron oxide materials including hematite and magnetite. MRCI Fe L2,3-edge XANES and XMCD spectra of Fe(II)O6, Fe(III)O6, and Fe(III)O4 in magnetite are found to be in very good qualitative agreement with experiment and multiplet calculations. Point-charge embedding and small distortions of the first-shell oxygen ligands have only small effects. Oxygen K-edge XANES/XMCD spectra for magnetite investigated by a real-space Green’s function approach complete the very good qualitative agreement with experiment. Material-specific differences in local coordination and site symmetry are well reproduced, making the approach useful for assigning spectral features to specific oxidation states and coordination environments.

  4. Evolution of phosphorus complexation and mineralogy during (hydro)thermal treatments of activated and anaerobically digested sludge: Insights from sequential extraction and P K-edge XANES.

    Science.gov (United States)

    Huang, Rixiang; Tang, Yuanzhi

    2016-09-01

    (Hydro)thermal treatments of sewage sludge is a promising option that can simultaneously target safe waste disposal, energy recovery, and nutrient recovery/recycling. The speciation of phosphorus (P) in sludge is of great relevance to P reclamation/recycling and soil application of sludge-derived products, thus it is critical to understand the effects of different treatment techniques and conditions on P speciation. This study systematically characterized P speciation (i.e. complexation and mineral forms) in chars derived from pyrolysis and hydrothermal carbonization (HTC) of municipal sewage sludges. Combined sequential extraction and P K-edge X-ray absorption near edge structure (XANES) spectroscopy analysis revealed the dependence of P transformation on treatment conditions and metal composition in the feedstocks. Pyrolysis of sludges decreased the relative abundance of phytic acid while increased the abundance of Al-associated P. HTC thoroughly homogenized and exposed P for interaction with various metals/minerals, with the final P speciation closely related to the composition/speciation of metals and their affinities to P. Results from this study revealed the mechanisms of P transformation during (hydro)thermal treatments of sewage sludges, and might be applicable to other biosolids. It also provided fundamental knowledge basis for the design and selection of waste management strategies for better P (re)cycling and reclamation. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Organometallic model complexes elucidate the active gallium species in alkane dehydrogenation catalysts based on ligand effects in Ga K-edge XANES

    Energy Technology Data Exchange (ETDEWEB)

    Getsoian, Andrew “Bean”; Das, Ujjal; Camacho-Bunquin, Jeffrey; Zhang, Guanghui; Gallagher, James R.; Hu, Bo; Cheah, Singfoong; Schaidle, Joshua A.; Ruddy, Daniel A.; Hensley, Jesse E.; Krause, Theodore R.; Curtiss, Larry A.; Miller, Jeffrey T.; Hock, Adam S.

    2016-01-01

    Gallium-modified zeolites are known catalysts for the dehydrogenation of alkanes, reactivity that finds industrial application in the aromatization of light alkanes by Ga-ZSM5. While the role of gallium cations in alkane activation is well known, the oxidation state and coordination environment of gallium under reaction conditions has been the subject of debate. Edge shifts in Ga K-edge XANES spectra acquired under reaction conditions have long been interpreted as evidence for reduction of Ga(III) to Ga(I). However, a change in oxidation state is not the only factor that can give rise to a change in the XANES spectrum. In order to better understand the XANES spectra of working catalysts, we have synthesized a series of molecular model compounds and grafted surface organometallic Ga species and compared their XANES spectra to those of gallium-based catalysts acquired under reducing conditions. We demonstrate that changes in the identity and number of gallium nearest neighbors can give rise to changes in XANES spectra similar to those attributed in literature to changes in oxidation state. Specifically, spectral features previously attributed to Ga(I) may be equally well interpreted as evidence for low-coordinate Ga(III) alkyl or hydride species. These findings apply both to gallium-impregnated zeolite catalysts and to silica-supported single site gallium catalysts, the latter of which is found to be active and selective for dehydrogenation of propane and hydrogenation of propylene.

  6. X-ray absorption study at the Mg and O K edges of ultrathin MgO epilayers on Ag(001)

    International Nuclear Information System (INIS)

    Luches, P.; D'Addato, S.; Valeri, S.; Groppo, E.; Prestipino, C.; Lamberti, C.; Boscherini, F.

    2004-01-01

    We determined the local atomic structure of MgO epilayers on Ag(001) by means of polarization-dependent x-ray absorption spectroscopy measurements at the Mg and O K edges. A quantitative analysis of the data in the extended energy range has been performed using multiple scattering simulations. We found that, even in the ultrathin limit, the local structure of the films is rocksalt and we obtained a quantitative evaluation of the average in-plane and out-of-plane film strain at the different thicknesses investigated. An in-plane compressive strain, due to lattice mismatch with the Ag substrate, is clearly present for the 3 ML film. The out-of-plane lattice constant is found to be expanded, in agreement with the expected behavior for a tetragonal distortion of the unit cell. This growth-induced strain is gradually released with increasing thickness and it is almost completely relaxed at 20 ML. Any significant intermixing with the Ag substrate can be ruled out. An expansion of the interplanar distance at the MgO-Ag interface is detected and its sign and magnitude are found to be in agreement with recent ab initio simulations. This work provides previously unavailable input for modeling the physical properties of the system and supports the hypothesis that the different electronic properties of MgO films on Ag(001) are not related to structural or compositional differences at the ultrathin limit

  7. Surface structure of alpha-Fe sub 2 O sub 3 nanocrystal observed by O K-edge X-ray absorption spectroscopy

    CERN Document Server

    Zhang, J; Ibrahim, K; Abbas, M I; Ju, X

    2003-01-01

    X-ray absorption near edge structure (XANES) spectra is used as a probe of surface structure of alpha-Fe sub 2 O sub 3 nanocrystal, prepared by sol-gel method. We present O K-edge XANES of alpha-Fe sub 2 O sub 3 in nanocrystal and bulk by total electron yield at the photoemission station of Beijing Synchrotron Radiation Facility. The spectrum of alpha-Fe sub 2 O sub 3 shows a splitting of the pre-edge structure, which is interpreted as two subsets of Fe 3d t sub 2 sub g and e sub g orbitals in oxygen octahedral (O sub h) crystal field, and is also sensitive to long-range order effects. However, no distinguishable splitting of the pre-edge peak of nanocrystal alpha-Fe sub 2 O sub 3 is observed. This suggests that there exists the distorted octahedral coordination around Fe sites and also the long-range disorder due to the surface as compared with bulk alpha-Fe sub 2 O sub 3.

  8. Redox Reaction in Silicate Melts Monitored by ''Static'' In-Situ Fe K-Edge XANES up to 1180 deg. C

    International Nuclear Information System (INIS)

    Wilke, Max; Partzsch, Georg M.; Welter, Edmund; Farges, Francois

    2007-01-01

    A new experimental setup to measure in-situ kinetics of redox reactions in silicate melts is presented. To study the progress of the Fe-redox reaction, the variation of the signal is recorded at an energy, where the difference between the spectra of the oxidized and reduced Fe in the melt is largest (''static XANES''). To control the redox conditions, the gas atmosphere could be changed between to types of gases using computer-controlled valves (N2:H2 and air, respectively). In this way, a number of reduction/oxidation cycles can be monitored in-situ and continuously. Applied at the Fe K-edge in molten silicates, we obtained a set of high quality data, which includes the very first steps of the redox reaction. An Avrami-type equation is used to investigate rate-controlling parameters for the iron oxidation/reduction kinetics for two melts (basaltic and Na trisilicate) for temperatures up to 1180 deg. C

  9. UV-Photochemistry of the Disulfide Bond: Evolution of Early Photoproducts from Picosecond X-ray Absorption Spectroscopy at the Sulfur K-Edge.

    Science.gov (United States)

    Ochmann, Miguel; Hussain, Abid; von Ahnen, Inga; Cordones, Amy A; Hong, Kiryong; Lee, Jae Hyuk; Ma, Rory; Adamczyk, Katrin; Kim, Tae Kyu; Schoenlein, Robert W; Vendrell, Oriol; Huse, Nils

    2018-05-30

    We have investigated dimethyl disulfide as the basic moiety for understanding the photochemistry of disulfide bonds, which are central to a broad range of biochemical processes. Picosecond time-resolved X-ray absorption spectroscopy at the sulfur K-edge provides unique element-specific insight into the photochemistry of the disulfide bond initiated by 267 nm femtosecond pulses. We observe a broad but distinct transient induced absorption spectrum which recovers on at least two time scales in the nanosecond range. We employed RASSCF electronic structure calculations to simulate the sulfur-1s transitions of multiple possible chemical species, and identified the methylthiyl and methylperthiyl radicals as the primary reaction products. In addition, we identify disulfur and the CH 2 S thione as the secondary reaction products of the perthiyl radical that are most likely to explain the observed spectral and kinetic signatures of our experiment. Our study underscores the importance of elemental specificity and the potential of time-resolved X-ray spectroscopy to identify short-lived reaction products in complex reaction schemes that underlie the rich photochemistry of disulfide systems.

  10. Understanding the Intrinsic Electrochemistry of Ni-Rich Layered Cathodes

    Science.gov (United States)

    Sallis, Shawn

    The demand for energy is continually increasing overtime and the key to meeting future demand in a sustainable way is with energy storage. Li-ion batteries employing layered transition metal oxide cathodes are one of the most technologically important energy storage technologies. However, current Li-ion batteries are unable to access their full theoretical capacity and suffer from performance limiting degradation over time partially originating from the cathode and partially from the interface with the electrolyte. Understanding the fundamental limitations of layered transition metal oxide cathodes requires a complete understanding of the surface and bulk of the materials in their most delithiated state. In this thesis, we employ LiNi0.8Co0.15Al 0.05O2 (NCA) as a model system for Ni-rich layered oxide cathodes. Unlike its parent compound, LiCoO2, NCA is capable of high states of delithiation with minimal structural transitions. Furthermore, commercially available NCA has little to no transition metals in the Li layer. X-ray spectroscopies are an ideal tool for studying cathodes at high states of delithiation due their elemental selectivity, range of probing depths, and sensitivity to both chemical and electronic state information. The oxidation state of the transition metals at the surface can be probed via X-ray photoelectron spectroscopy (XPS) while both bulk and surface oxidation states as well as changes in metal oxygen bonding can be probed using X-ray absorption spectroscopy (XAS). Using X-ray spectroscopy in tandem with electrochemical, transport and microscopy measurements of the same materials, the impedance growth with increasing delithiation was correlated with the formation of a disordered NiO phase on the surface of NCA which was precipitated by the release of oxygen. Furthermore, the surface degradation was strongly impacted by the type of Li salt used in the electrolyte, with the standard commercial salt LiPF6 suffering from exothermic decomposition

  11. Electronic structure, magnetic and structural properties of Ni doped ZnO nanoparticles

    International Nuclear Information System (INIS)

    Kumar, Shalendra; Vats, Prashant; Gautam, S.; Gupta, V.P.; Verma, K.D.; Chae, K.H.; Hashim, Mohd; Choi, H.K.

    2014-01-01

    Highlights: • XRD, and HR-TEM results show the single phase nature of Ni doped ZnO nanoparticles. • dc magnetization results indicate the RT-FM in Ni doped ZnO nanoparticles. • Ni L 3,2 edge NEXAFS spectra infer that Ni ions are in +2 valence state. • O K edge NEXAFS spectra show that O vacancy increases with Ni doping in ZnO. - Abstract: We report structural, magnetic and electronic structural properties of Ni doped ZnO nanoparticles prepared by auto-combustion method. The prepared nanoparticles were characterized by using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), near edge X-ray absorption fine structure (NEXAFS) spectroscopy, and dc magnetization measurements. The XRD and HR-TEM results indicate that Ni doped ZnO nanoparticles have single phase nature with wurtzite lattice and exclude the presence of secondary phase. NEXAFS measurements performed at Ni L 3,2 -edges indicates that Ni ions are in +2 valence state and exclude the presence of Ni metal clusters. O K-edge NEXAFS spectra indicate an increase in oxygen vacancies with Ni-doping, while Zn L 3,2 -edge show the absence of Zn-vacancies. The magnetization measurements performed at room temperature shows that pure and Ni doped ZnO exhibits ferromagnetic behavior

  12. Imaging Taurine in the Central Nervous System Using Chemically Specific X-ray Fluorescence Imaging at the Sulfur K-Edge

    Energy Technology Data Exchange (ETDEWEB)

    Hackett, Mark J.; Paterson, Phyllis G.; Pickering, Ingrid J.; George, Graham N. (Curtin U.); (Saskatchewan)

    2016-11-15

    A method to image taurine distributions within the central nervous system and other organs has long been sought. Since taurine is small and mobile, it cannot be chemically “tagged” and imaged using conventional immuno-histochemistry methods. Combining numerous indirect measurements, taurine is known to play critical roles in brain function during health and disease and is proposed to act as a neuro-osmolyte, neuro-modulator, and possibly a neuro-transmitter. Elucidation of taurine’s neurochemical roles and importance would be substantially enhanced by a direct method to visualize alterations, due to physiological and pathological events in the brain, in the local concentration of taurine at or near cellular spatial resolution in vivo or in situ in tissue sections. We thus have developed chemically specific X-ray fluorescence imaging (XFI) at the sulfur K-edge to image the sulfonate group in taurine in situ in ex vivo tissue sections. To our knowledge, this represents the first undistorted imaging of taurine distribution in brain at 20 μm resolution. We report quantitative technique validation by imaging taurine in the cerebellum and hippocampus regions of the rat brain. Further, we apply the technique to image taurine loss from the vulnerable CA1 (cornus ammonis 1) sector of the rat hippocampus following global brain ischemia. The location-specific loss of taurine from CA1 but not CA3 neurons following ischemia reveals osmotic stress may be a key factor in delayed neurodegeneration after a cerebral ischemic insult and highlights the significant potential of chemically specific XFI to study the role of taurine in brain disease.

  13. Local Environment Sensitivity of the Cu K-Edge XANES Features in Cu-SSZ-13: Analysis from First-Principles.

    Science.gov (United States)

    Zhang, Renqin; McEwen, Jean-Sabin

    2018-05-22

    Cu K-edge X-ray absorption near-edge spectra (XANES) have been widely used to study the properties of Cu-SSZ-13. In this Letter, the sensitivity of the XANES features to the local environment for a Cu + cation with a linear configuration and a Cu 2+ cation with a square-linear configuration in Cu-SSZ-13 is reported. When a Cu + cation is bonded to H 2 O or NH 3 in a linear configuration, the XANES has a strong peak at around 8983 eV. The intensity of this peak decreases as the linear configuration is broken. As for the Cu 2+ cations in a square-planar configuration with a coordination number of 4, two peaks at around 8986 and 8993 eV are found. An intensity decrease for both peaks at around 8986 and 8993 eV is found in an NH 3 _4_Z 2 Cu model as the N-Cu-N angle changes from 180 to 100°. We correlate these features to the variation of the 4p state by PDOS analysis. In addition, the feature peaks for both the Cu + cation and Cu 2+ cation do not show a dependence on the Cu-N bond length. We further show that the feature peaks also change when the coordination number of the Cu cation is varied, while these feature peaks are independent of the zeolite topology. These findings help elucidate the experimental XANES features at an atomic and an electronic level.

  14. Trace metal analysis by laser ablation-inductively coupled plasmamass spectrometry and x-ray K-edge densitometry of forensic samples

    Energy Technology Data Exchange (ETDEWEB)

    Berry, Jonna Elizabeth [Iowa State Univ., Ames, IA (United States)

    2016-10-25

    This dissertation describes a variety of studies on the determination of trace elements in samples with forensic importance. Laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) was used to determine the trace element composition of numerous lipstick samples. Lipstick samples were determined to be homogeneous. Most lipstick samples of similar colors were readily distinguishable at a 95% confidence interval based on trace element composition. Numerous strands of a multi-strand speaker cable were analyzed by LA-ICP-MS. The strands in this study are spatially heterogeneous in trace element composition. In actual forensic applications, the possibility of spatial heterogeneity must be considered, especially in cases where only small samples (e.g., copper wire fragments after an explosion) are available. The effects of many unpredictable variables, such as weather, temperature, and human activity, on the retention of gunshot residue (GSR) around projectile wounds were assessed with LAICP- MS. Skin samples around gunshot and stab wounds and larvae feeding in and around the wounds on decomposing pig carcasses were analyzed for elements consistent with GSR (Sb, Pb, Ba, and Cu). These elements were detected at higher levels in skin and larvae samples around the gunshot wounds compared to the stab wounds for an extended period of time throughout decomposition in both a winter and summer study. After decomposition, radiographic images of the pig bones containing possible damage from bullets revealed metallic particles embedded within a number of bones. Metallic particles within the bones were analyzed with x-ray, K-edge densitometry and determined to contain lead, indicating that bullet residue can be retained throughout decomposition and detected within bones containing projectile trauma.

  15. X-ray absorption near edge spectroscopy at the Mn K-edge in highly homogeneous GaMnN diluted magnetic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Sancho-Juan, O.; Cantarero, A.; Garro, N.; Cros, A. [Materials Science Institute, University of Valencia, PO Box 22085, 46071 Valencia (Spain); Martinez-Criado, G.; Salome, M.; Susini, J. [ESRF, Polygone Scientifique Louis Neel, 6 rue Jules Horowitz, 38000 Grenoble (France); Olguin, D. [Dept. de Fisica, CINVESTAV-IPN, 07300 Mexico D.F. (Mexico); Dhar, S.; Ploog, K. [Paul Drude Institute, Hausvogteiplatz 5-7, 10117 Berlin (Germany)

    2006-06-15

    We have studied by X-ray absorption spectroscopy the local environment of Mn in highly homogeneous Ga{sub 1-x}Mn{sub x}N (0.06K-edges. In this report, we focus our attention to the X-ray absorption near edge spectroscopy (XANES) results. The comparison of the XANES spectra corresponding to the Ga and Mn edges indicates that Mn is substitutional to Ga in all samples studied. The XANES spectra measured at the Mn absorption edge shows in the near-edge region a double peak and a shoulder below the absorption edge and the main absorption peak after the edge, separated around 15 eV above the pre-edge structure. We have compared the position of the edge with that of MnO (Mn{sup 2+}) and Mn{sub 2}O{sub 3} (Mn{sup 3+}). All samples studied present the same Mn oxidation state, 2{sup +}. In order to interprete the near-edge structure, we have performed ab initio calculations with a 2 x 2 x 1supercell ({proportional_to}6% Mn) using the full potential linear augmented plane wave method as implemented in the Wien2k code. The calculations show the appearance of Mn anti-bonding t{sub 2g} bands, which are responsible for the pre-edge absorption. The shoulder and main absorption peaks are due to transitions from the valence band 1s-states of Mn to the p-contributions of the conduction bands. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Crystal-field splitting in coadsorbate systems: c (2x2) CO/K/Ni (100)

    NARCIS (Netherlands)

    Hasselström, J.; Föhlisch, A.; Denecke, R.; Nilsson, A.; Groot, F.M.F. de

    2000-01-01

    It is demonstrated how the crystal field splitting (CFS) fine structure can be used to characterize a coadsor-bate system. We have applied K 2p x-ray absorption spectroscopy (XAS) to the c(2x2) CO/K/Ni(100) system. The CFS fine structure is shown to be sensitive to the the local atomic

  17. Coherent dynamics of interwell excitons in GaAs/AlxGa1-xAs superlattices

    DEFF Research Database (Denmark)

    Mizeikis, V.; Birkedal, Dan; Langbein, Wolfgang Werner

    1997-01-01

    Coherent exciton dynamics in a GaAs/AlxGa1-xAs narrow-miniband superlattice is studied by spectrally resolved transient four-wave mixing. Coherent optical properties of the investigated structure are found to be strongly affected by the existence of two different heavy-hole excitonic states. One...

  18. Exciton dynamics in GaAs/AlxGa1-xAs quantum wells

    DEFF Research Database (Denmark)

    Litvinenko, K.; Birkedal, Dan; Lyssenko, V. G.

    1999-01-01

    The changes induced in the optical absorption spectrum of a GaAs/AlxGa1-xAs multiple quantum well due to a photoexcited carrier distribution are reexamined. We use a femtosecond pump-probe technique to excite excitons and free electron-hole pairs. We find that for densities up to 10(11) cm(-2...

  19. An XAS experimental approach to study low Pt content electrocatalysts operating in PEM fuel cells.

    Science.gov (United States)

    Principi, Emiliano; Witkowska, Agnieszka; Dsoke, Sonia; Marassi, Roberto; Di Cicco, Andrea

    2009-11-21

    We present an X-ray absorption spectroscopy (XAS) study of a low Pt content catalyst layer (Pt loading 0.1 mg cm(-2)) operating at the cathode of a proton exchange membrane fuel cell (PEMFC). This catalyst is based on the use of a mesoporous inorganic matrix as a support for the catalyst Pt nanoparticles. Due to the high Pt dilution, in situ measurements of its structural properties by XAS are challenging and suitable experimental strategies must be devised for this purpose. In particular, we show that accurate XAS in situ fluorescence measurements can be obtained using an optimized fuel cell, suitable protocols for alignment of a focused X-ray beam and an appropriate filter for the background signal of the other atomic species contained in the electrodes. Details, advantages and limitations of the XAS technique for in situ measurements are discussed. Analysis of the near-edge XAS and EXAFS (extended X-ray absorption fine structure) data, corroborated by a HRTEM (high-resolution transmission electron microscopy) study, shows that the Pt particles have a local structure compatible with that of bulk Pt (fcc) and coordination numbers match those expected for particles with typical sizes in the 1.5-2.0 nm range. Substantial changes in the oxidation state and in local atomic arrangement of the Pt particles are found for different applied potentials. The catalyst support, containing W atoms, exhibits a partial reduction upon PEMFC activation, thus mimicking the catalyst behavior. This indicates a possible role of the mesoporous matrix in favouring the oxygen reduction reaction (ORR) and stimulates further research on active catalyst supports.

  20. Determining metal ion distributions using resonant scattering at very high-energy K-edges: Bi/Pb in Pb{sub 5}Bi{sub 6}Se{sub 14}

    Energy Technology Data Exchange (ETDEWEB)

    Yuegang, Zhang; Lee, P L; Shastri, S D; Deming, Shu [Argonne National Lab., IL (United States). XOR, Advanced Photon Source; Wilkinson, A P [Georgia Inst. of Tech., Atlanta (United States). School of Chemistry and Biochemistry; Duck-Young, Chung; Kanatzidis, M G [Michigan State Univ., East Lansing (United States). Dept. of Chemistry

    2005-06-01

    Powder diffraction data collected at {proportional_to} 86 keV, and just below both the Pb and the Bi K-edges, on an imaging plate detector using synchrotron radiation from the Advanced Photon Source have been used to examine the Pb/Bi distribution over the 11 crystallographically distinct sites in Pb{sub 5}Bi{sub 6}Se{sub 14} [space group P2{sub 1}/m, a=16.0096(2) Aa, b=4.20148(4) Aa, c=21.5689(3) Aa and {beta}=97.537(1){sup 0}]. The scattering factors needed for the analyses were determined both by Kramers- Kronig transformation of absorption spectra and by analyses of diffraction patterns from reference compounds. Even with the relatively low scattering contrast that is available at the K-edges, it was possible to determine the Pb/Bi distribution and probe the presence of cation site vacancies in the material. The current results indicate that resonant scattering measurements at high-energy K-edges are a viable, and perhaps preferable, route to site occupancies when absorption from the sample or sample environment/container is a major barrier to the acquisition of high-quality resonant scattering data at lower-energy edges.

  1. Role of natural nanoparticles on the speciation of Ni in andosols of la Reunion

    Science.gov (United States)

    Levard, Clément; Doelsch, Emmanuel; Rose, Jérôme; Masion, Armand; Basile-Doelsch, Isabelle; Proux, Olivier; Hazemann, Jean-Louis; Borschneck, Daniel; Bottero, Jean-Yves

    2009-08-01

    Andosols on the island of Réunion have high nickel (Ni) concentrations due to the natural pedo-geochemical background. Enhanced knowledge of Ni speciation is necessary to predict the bioavailability and potential toxicity of this element. Ni speciation in these andosols, marked by the presence of high amounts of natural aluminosilicate nanoparticles, was investigated in two complementary systems: (i) In a soil sample—densimetric fractionation was first performed in order to separate the potential bearing phases, prior to Ni speciation characterization. (ii) In a synthetic sample—Ni reactivity with synthetic aluminosilicate nanoparticle analogs were studied. In both cases, Ni speciation was determined using X-ray absorption spectroscopy (XAS). The results revealed that Ni had the same local environment in both systems (natural and synthetic systems), and Ni was chemically linked to natural short-range ordered aluminosilicates or analogs. This complex represented about 75% of the total Ni in the studied soil.

  2. Local structural distortion and electronic modifications in PrNiO3 across the metal-insulator transition

    International Nuclear Information System (INIS)

    Piamonteze, C.; Tolentino, H.C.N.; Ramos, A.Y.; Massa, N. E.; Alonso, J.A.; Martinez-Lope, M.J.; Casais, M.T.

    2003-01-01

    Local electronic and structural properties of PrNiO3 perovskite were studied by means of X-ray Absorption Spectroscopy at Ni K and L edges. The EXAFS results at Ni K edge show a structural transition from three different Ni-O bond-lengths at the insulating phase to two Ni-O bond-lengths above TMI. These results were interpreted as being due to a transition from a structure with two different Ni sites at the insulating phase to one distorted Ni site at the metallic phase. The Ni L edge spectra show a remarkable difference between the spectra measured at the insulating and metallic phases that indicates a decreasing degree of hybridization between Ni3d and O2p bands from the metallic to the insulating phase

  3. Electronic structures of GaAs/AlxGa1-xAs quantum double rings

    Directory of Open Access Journals (Sweden)

    Li Shu-Shen

    2006-01-01

    Full Text Available AbstractIn the framework of effective mass envelope function theory, the electronic structures of GaAs/AlxGa1-xAs quantum double rings (QDRs are studied. Our model can be used to calculate the electronic structures of quantum wells, wires, dots, and the single ring. In calculations, the effects due to the different effective masses of electrons and holes in GaAs and AlxGa1-xAs and the valence band mixing are considered. The energy levels of electrons and holes are calculated for different shapes of QDRs. The calculated results are useful in designing and fabricating the interrelated photoelectric devices. The single electron states presented here are useful for the study of the electron correlations and the effects of magnetic fields in QDRs.

  4. An X-ray absorption spectroscopy study of the interactions of Ni2+ with yeast enolase.

    Science.gov (United States)

    Wang, S; Scott, R A; Lebioda, L; Zhou, Z H; Brewer, J M

    1995-05-15

    An x-ray absorption spectroscopy (XAS) study was carried out at pH 7.6 on solutions of Ni2+ and yeast enolase depleted of its physiological cofactor (Mg2+) in the presence or absence of substrate/product, the very strongly bound competitive inhibitor 2-phosphonoacetohydroxamate and Mg2+. Both "conformational" and "catalytic" Ni2+ are distorted octahedral in coordination, in agreement with several spectroscopic studies but in contrast to the coordination in the crystal at pH 6.0. The data are consistent with direct coordination of what must be the catalytic Ni2+ to the phosphate of the substrate, in agreement with some previous data but in disagreement with recent interpretations by other workers. The ligands around the metal ions obtained from the x-ray structure give simulated XAS spectra in good agreement with the observed spectra.

  5. Probing the 4p electron-spin polarization in NiO

    International Nuclear Information System (INIS)

    Neubeck, W.; Vettier, C.; Bergevin, F. de; Yakhou, F.; Mannix, D.; Bengone, O.; Alouani, M.; Barbier, A.

    2001-01-01

    K-edge resonant x-ray magnetic scattering experiments have been performed on antiferromagnetic NiO. The observation of two resonances at the K edge allows the construction of models to compare the electronic properties of NiO and the observed resonant magnetic x-ray scattering. From the polarization analysis of the scattered beam, a quadrupolar transition (1s-3d) and a dipolar transition (1s-4p) are identified. While the quadrupolar transition can be modeled using an atomic picture for the 3d electrons, the dipolar transition is associated to a broadband structure of p electrons and its energy profile is compared to electronic band-structure calculations

  6. Resonant inelastic x-ray scattering on iso-C{sub 2}H{sub 2}Cl{sub 2} around the chlorine K-edge: Structural and dynamical aspects

    Energy Technology Data Exchange (ETDEWEB)

    Kawerk, Elie, E-mail: eliekawerk@hotmail.com, E-mail: ekawerk@units.it [CNRS, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Sorbonne Universités, UPMC Université Paris 06, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Laboratoire de Physique Appliquée, Faculté des Sciences II, Université Libanaise, 90656 Jdeidet el Metn, Liban (Libya); Dipartimento di Scienze Chimiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste (Italy); Carniato, Stéphane; Journel, Loïc; Marchenko, Tatiana; Simon, Marc [CNRS, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Sorbonne Universités, UPMC Université Paris 06, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Piancastelli, Maria Novella [CNRS, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Sorbonne Universités, UPMC Université Paris 06, UMR 7614, Laboratoire de Chimie Physique-Matière et Rayonnement, F-75005 Paris (France); Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Žitnik, Matjaž; Bučar, Klemen; Bohnic, Rok [Jožef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana (Slovenia); and others

    2014-10-14

    We report a theoretical and experimental study of the high resolution resonant K{sub α} X-ray emission lines around the chlorine K-edge in gas phase 1,1-dichloroethylene. With the help of ab initio electronic structure calculations and cross section evaluation, we interpret the lowest lying peak in the X-ray absorption and emission spectra. The behavior of the K{sub α} emission lines with respect to frequency detuning highlights the existence of femtosecond nuclear dynamics on the dissociative Potential Energy Surface of the first K-shell core-excited state.

  7. Electronic structure of benzene adsorbed on Ni and Cu surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Weinelt, M.; Nilsson, A.; Wassdahl, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    Benzene has for a long time served as a prototype adsorption system of large molecules. It adsorbs with the molecular plane parallel to the surface. The bonding of benzene to a transition metal is typically viewed to involve the {pi} system. Benzene adsorbs weakly on Cu and strongly on Ni. It is interesting to study how the adsorption strength is reflected in the electronic structure of the adsorbate-substrate complex. The authors have used X-ray Emission (XE) and X-ray Absorption (XA) spectroscopies to selectively study the electronic states localized on the adsorbed benzene molecule. Using XES the occupied states can be studies and with XAS the unoccupied states. The authors have used beamline 8.0 and the Swedish endstation equipped with a grazing incidence x-ray spectrometer and a partial yield absorption detector. The resolution in the XES and XAS were 0.5 eV and 0.05 eV, respectively.

  8. In-plant measurements of gamma-ray transmissions for precise K-edge and passive assay of plutonium concentration and isotopic abundance in product solutions at the Tokai Reprocessing Plant

    International Nuclear Information System (INIS)

    Asakura, Y.; Kondo, I.; Masui, J.; Shoji, K.; Russo, P.A.; Hsue, S.T.; Sprinkle, J.K. Jr.; Johnson, S.S.

    1982-01-01

    A field test has been carried out for more than 2 years for determination of plutonium concentration by K-edge absorption densitometry and for determination of plutonium isotopic abundance by transmission-corrected passive gamma-ray spectrometry. This system was designed and built at Los Alamos National Laboratory and installed at the Tokai reprocessing plant of the Power Reactor and Nuclear Fuel Development Corporation as a part of the Tokai Advanced Safeguards Technology Exercise (TASTEX). For K-edge measurement of plutonium concentration, the transmissions at two discrete gamma-ray energies are measured using the 121.1- and 122.1-keV gamma rays from 75 Se and 57 Co. Intensities of the plutonium passive gamma rays in the energy regions between 38 and 51 keV and between 129 and 153 keV are used for determination of the isotopic abundances. More than 200 product solution samples have been measured in a timely fashion during these 2 years. The relative precisions and accuracies of the plutonium concentration measurement are shown to be within 0.6% (1 sigma) in these applications, and those for plutonium isotopic abundances are within 3% for 238 Pu, 0.4% for 239 Pu, 1.2% for 240 Pu, 1.3% for 241 Pu, and 7% for 242 Pu. The time required is 10 min for the concentration assay, 10 min for the isotopics assay, and about 15 min for handling procedures in the laboratory

  9. Axial Ligation and Redox Changes at the Cobalt Ion in Cobalamin Bound to Corrinoid Iron-Sulfur Protein (CoFeSP or in Solution Characterized by XAS and DFT.

    Directory of Open Access Journals (Sweden)

    Peer Schrapers

    Full Text Available A cobalamin (Cbl cofactor in corrinoid iron-sulfur protein (CoFeSP is the primary methyl group donor and acceptor in biological carbon oxide conversion along the reductive acetyl-CoA pathway. Changes of the axial coordination of the cobalt ion within the corrin macrocycle upon redox transitions in aqua-, methyl-, and cyano-Cbl bound to CoFeSP or in solution were studied using X-ray absorption spectroscopy (XAS at the Co K-edge in combination with density functional theory (DFT calculations, supported by metal content and cobalt redox level quantification with further spectroscopic methods. Calculation of the highly variable pre-edge X-ray absorption features due to core-to-valence (ctv electronic transitions, XANES shape analysis, and cobalt-ligand bond lengths determination from EXAFS has yielded models for the molecular and electronic structures of the cobalt sites. This suggested the absence of a ligand at cobalt in CoFeSP in α-position where the dimethylbenzimidazole (dmb base of the cofactor is bound in Cbl in solution. As main species, (dmbCoIII(OH2, (dmbCoII(OH2, and (dmbCoIII(CH3 sites for solution Cbl and CoIII(OH2, CoII(OH2, and CoIII(CH3 sites in CoFeSP-Cbl were identified. Our data support binding of a serine residue from the reductive-activator protein (RACo of CoFeSP to the cobalt ion in the CoFeSP-RACo protein complex that stabilizes Co(II. The absence of an α-ligand at cobalt not only tunes the redox potential of the cobalamin cofactor into the physiological range, but is also important for CoFeSP reactivation.

  10. Theoretical study on the electronic and optical properties of bulk and surface (001) InxGa1-xAs

    Science.gov (United States)

    Liu, XueFei; Ding, Zhao; Luo, ZiJiang; Zhou, Xun; Wei, JieMin; Wang, Yi; Guo, Xiang; Lang, QiZhi

    2018-05-01

    The optical properties of surface and bulk InxGa1-xAs materials are compared systematically first time in this paper. The band structures, density of states and optical properties including dielectric function, reflectivity, absorption coefficient, loss function and refractive index of bulk and surface InxGa1-xAs materials are investigated by first-principles based on plane-wave pseudo-potentials method within the LDA approximation. The results agree well with the available theoretical and experimental studies and indicate that the electronic and optical properties of bulk and surface InxGa1-xAs materials are much different, and the results show that the considered optical properties of the both materials vary with increasing indium composition in an opposite way. The calculations show that the optical properties of surface In0.75Ga0.25As material are unexpected to be far from the other two indium compositions of surface InxGa1-xAs materials while the optical properties of bulk InxGa1-xAs materials vary with increasing indium composition in an expected regular way.

  11. The relationship between Al and Si in biogenic silica as determined by PIXE and XAS

    International Nuclear Information System (INIS)

    Beck, L.; Gehlen, M.; Flank, A.-M.; Bennekom, A.J. van; Beusekom, J.E.E. van

    2002-01-01

    Biogenic silica, one of the major constituents of marine sediments, is a potentially powerful paleoceanographic tool, revealing information on past productivity. Interpreting the sedimentary records of the biogenic silica requires, however, an understanding of its preservation. Dissolution of biogenic silica is controlled by the presence of trace elements such as Al. The work in this paper focuses on the association of Al and Si in biogenic silica. The composition and the atomic structure of cultured and natural diatoms were determined by using PIXE and XAS techniques. This study provides the first evidence for a structural association of Al and Si in biogenic silica

  12. Dispersive XAS on a High Brilliance Source: Highlights and Future Opportunities

    International Nuclear Information System (INIS)

    Pascarelli, S.; Aquilanti, G.; Guilera, G.; Mathon, O.; Newton, M. A.; Trapananti, A.; Dubrovinsky, L.; Munoz, M.; Pasquale, M.

    2007-01-01

    Energy Dispersive X-ray Absorption Spectroscopy is a now a well-established method which has been applied to a broad range of applications. Ten years from the construction of beamline ID24 at the ESRF, the first dispersive XAS spectrometer using undulator radiation on a third generation source, we report an overview of recent results in very diverse fields of research, ranging from automotive catalysts to magnetism at extreme conditions. We also illustrate how pushing the instrument to its limits has opened new opportunities, such as an enhanced sensitivity to detection of tiny atomic displacements and the potential for micro-probe redox and speciation imaging

  13. Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

    Science.gov (United States)

    Altman, Alison B; Pemmaraju, C D; Camp, Clément; Arnold, John; Minasian, Stefan G; Prendergast, David; Shuh, David K; Tyliszczak, Tolek

    2015-08-19

    Polarized aluminum K-edge X-ray absorption near edge structure (XANES) spectroscopy and first-principles calculations were used to probe electronic structure in a series of (BDI)Al, (BDI)AlX2, and (BDI)AlR2 coordination compounds (X = F, Cl, I; R = H, Me; BDI = 2,6-diisopropylphenyl-β-diketiminate). Spectral interpretations were guided by examination of the calculated transition energies and polarization-dependent oscillator strengths, which agreed well with the XANES spectroscopy measurements. Pre-edge features were assigned to transitions associated with the Al 3p orbitals involved in metal-ligand bonding. Qualitative trends in Al 1s core energy and valence orbital occupation were established through a systematic comparison of excited states derived from Al 3p orbitals with similar symmetries in a molecular orbital framework. These trends suggested that the higher transition energies observed for (BDI)AlX2 systems with more electronegative X(1-) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes an increase in the attractive potential of the Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals. For (BDI)Al and (BDI)AlH2 the experimental Al K-edge XANES spectra and spectra calculated using the eXcited electron and Core-Hole (XCH) approach had nearly identical energies for transitions to final state orbitals of similar composition and symmetry. These results implied that the charge distributions about the aluminum atoms in (BDI)Al and (BDI)AlH2 are similar relative to the (BDI)AlX2 and (BDI)AlMe2 compounds, despite having different formal oxidation states of +1 and +3, respectively. However, (BDI)Al was unique in that it exhibited a low-energy feature that was attributed to transitions into a low-lying p-orbital of b1 symmetry that is localized on Al and orthogonal to the (BDI)Al plane. The presence of this low-energy unoccupied molecular orbital on electron-rich (BDI)Al distinguishes

  14. Electronic state of cerium-based catalysts studied by spectroscopic methods (XPS, XAS)

    International Nuclear Information System (INIS)

    Le Normand, F.; Bernhardt, P.; Hilaire, L.; Kili, K.; Maire, G.; Krill, G.

    1987-01-01

    X-ray Photoelectron Spectroscopy (XPS) of the 3d core level of cerium and X-ray Absorption Spectroscopy (XAS) of the L III absorption edge of cerium have been used to study Pd/CeO 2 , Pd-Ce/γAl 2 O 3 and Ce/γAl 2 O 3 catalysts. The oxidation state of cerium was found to decrease with decreasing amounts of cerium on the surface. It was quite close to III for very low contents of cerium (2-3%). For higher cerium contents the oxidation state was nearer to IV but differences between the two methods were found, owing to the fact that XAS is a volume sensitive probe. The oxidation state of cerium was also lower for Pd-Ce/γAl 2 O 3 than for Ce/γAl 2 O 3 , suggesting the formation of Ce III OCl, chlorine coming from the precursor salt of palladium. 15 refs.; 5 figs.; 1 table

  15. A study of the Nb3Ge system by Ge K-edge extended x-ray absorption fine structure and x-ray absorption near-edge structure spectroscopy

    International Nuclear Information System (INIS)

    Saini, N L; Filippi, M; Wu Ziyu; Oyanagi, H; Ihara, H; Iyo, A; Agrestini, S; Bianconi, A

    2002-01-01

    The local structure of Nb 3 Ge intermetallic superconductor has been studied by Ge K-edge absorption spectroscopy. Extended x-ray absorption fine structure (EXAFS) experiments show two Ge-Nb distances. In addition to the crystallographic distance of ∼2.87 A, there exists a second Ge-Nb distance, shorter than the first by ∼0.2 A, assigned to a phase with short-range symmetry related to local displacements in the Nb-Nb chains. The x-ray absorption near-edge structure (XANES) spectrum has been simulated by full multiple-scattering calculations considering the local displacements determined by the EXAFS analysis. The XANES spectrum has been well reproduced by considering a cluster of 99 atoms within a radius of about 7 A from the central Ge atom and introducing determined local displacements

  16. Comparison between XAS, AWAXS and DAFS applied to nanometer scale supported metallic clusters. Pt.1; monometallic clusters

    International Nuclear Information System (INIS)

    Bazin, D.C.; Sayers, D.A.

    1993-01-01

    The structural information found using three techniques related to synchrotron radiation are compared. XAS (X-ray Absorption Spectroscopy), AWAXS (Anomalous Wide Angle X-ray Scattering) and DAFS (Diffraction Anomalous Fine Structure) are applied to nanometer scale metallic clusters. (author)

  17. Comparison between XAS, AWAXS and DAFS applied to nanometer scale supported metallic clusters. Pt.2; bimetallic clusters

    International Nuclear Information System (INIS)

    Bazin, D.; Sayers, D.

    1993-01-01

    The structural information obtained using three techniques related to synchrotron radiation are compared. XAS (X-ray Absorption Spectroscopy), AWAXS (Anomalous Wide Angle X-ray Scattering) and DAFS (Diffraction Anomalous Fine Structure) are applied to the study of nanometer scale bimetallic clusters. (author)

  18. Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Martin, P.M., E-mail: Philippe-m.martin@cea.fr [CEA, DEN, Cadarache DEC/SESC, F-13108 St-Paul-Lez-Durance Cedex (France); Vathonne, E.; Carlot, G.; Delorme, R.; Sabathier, C.; Freyss, M.; Garcia, P.; Bertolus, M. [CEA, DEN, Cadarache DEC/SESC, F-13108 St-Paul-Lez-Durance Cedex (France); Glatzel, P. [European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, 38043 Grenoble (France); Proux, O. [OSUG, Observatoire des Sciences de l’Univers de Grenoble, CNRS and Université Joseph Fourier, BP 53, 38041 Grenoble Cedex 9 (France)

    2015-11-15

    X-ray Absorption Spectroscopy (XAS) was used to study the behavior of krypton as a function of its concentration in UO{sub 2} samples implanted with Kr ions. For a 0.5 at.% krypton local concentration, by combining XAS results and DFT + U calculations, we show that without any thermal treatment Kr atoms are mainly incorporated in the UO{sub 2} lattice as single atoms inside a neutral bound Schottky defect with O vacancies aligned along the (100) direction (BSD1). A thermal treatment at 1273 K induces the precipitation of dense Kr nano-aggregates, most probably solid at room temperature. In addition, 26 ± 2% of the Kr atoms remain inside BSD1 showing that Kr-BSD1 complex is stable up to this temperature. Consequently, the (in-)solubility of krypton in UO{sub 2} has to be re-evaluated. For high Kr concentration (8 at.%), XAS signals show that Kr atoms have precipitated in nanometer-sized aggregates with internal densities ranging between 4.15(7) g cm{sup −3} and 3.98(5) g cm{sup −3} even after annealing at 873 K. By neglecting the effect due to the UO{sub 2} matrix, the corresponding krypton pressures at 300 K were equal to 2.6(3) GPa and 2.0(2) GPa, respectively. After annealing at 1673 K, regardless of the initial Kr concentration, a bi-modal distribution is observed with solid nano-aggregates even at room temperature and larger cavities only partially filled with Kr. These results are very close to those observed in UO{sub 2} fuel irradiated in reactor. In this study we show that a rare gas can be used as a probe to investigate the defect creation and their stability in UO{sub 2}.

  19. Influence of H2O and H2S on the Composition, Activity, and Stability of Sulfided Mo, CoMo, and NiMo Supported on MgAl2O4 for Hydrodeoxygenation of Ethylene Glycol

    DEFF Research Database (Denmark)

    Dabros, Trine Marie Hartmann; Gaur, Abhijeet; Pintos, Delfina Garcia

    2018-01-01

    In this work, density functional theory (DFT), catalytic activity tests, and in-situ X-ray absorption spectroscopy (XAS) was performed to gain detailed insights into the activity and stability of MoS2, Ni-MoS2, and Co-MoS2 catalysts used for hydrodeoxygenation (HDO) of ethylene glycol upon...

  20. Ni doped Fe3O4 magnetic nanoparticles.

    Science.gov (United States)

    Larumbe, S; Gómez-Polo, C; Pérez-Landazábal, J I; García-Prieto, A; Alonso, J; Fdez-Gubieda, M L; Cordero, D; Gómez, J

    2012-03-01

    In this work, the effect of nickel doping on the structural and magnetic properties of Fe3O4 nanoparticles is analysed. Ni(x)Fe(3-x)O4 nanoparticles (x = 0, 0.04, 0.06 and 0.11) were obtained by chemical co-precipitation method, starting from a mixture of FeCl2 x 4H2O and Ni(AcO)2 x 4H2O salts. The analysis of the structure and composition of the synthesized nanoparticles confirms their nanometer size (main sizes around 10 nm) and the inclusion of the Ni atoms in the characteristic spinel structure of the magnetite Fe3O4 phase. In order to characterize in detail the structure of the samples, X-ray absorption (XANES) measurements were performed on the Ni and Fe K-edges. The results indicate the oxidation of the Ni atoms to the 2+ state and the location of the Ni2+ cations in the Fe2+ octahedral sites. With respect to the magnetic properties, the samples display the characteristic superparamagnetic behaviour, with anhysteretic magnetic response at room temperature. The estimated magnetic moment confirms the partial substitution of the Fe2+ cations by Ni2+ atoms in the octahedral sites of the spinel structure.

  1. Fluorescence x-ray absorption fine structure studies of Fe-Ni-S and Fe-Ni-Si melts to 1600 K

    Science.gov (United States)

    Manghnani, M. H.; Hong, X.; Balogh, J.; Amulele, G.; Sekar, M.; Newville, M.

    2008-04-01

    We report NiK -edge fluorescence x-ray absorption fine structure spectra (XAFS) for Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 ternary alloys from room temperature up to 1600 K. A high-temperature furnace designed for these studies incorporates two x-ray transparent windows and enables both a vertical orientation of the molten sample and a wide opening angle, so that XAFS can be measured in the fluorescence mode with a detector at 90° with respect to the incident x-ray beam. An analysis of the Ni XAFS data for these two alloys indicates different local structural environments for Ni in Fe0.75Ni0.05S0.20 and Fe0.75Ni0.05Si0.20 melts, with more Ni-Si coordination than Ni-S coordination persisting from room temperature through melting. These results suggest that light elements such as S and Si may impact the structural and chemical properties of Fe-Ni alloys with a composition similar to the earth’s core.

  2. Characterization of heterogeneous SiO2 materials by scanning electron microscope and micro fluorescence XAS techniques

    International Nuclear Information System (INIS)

    Khouchaf, L.; Boinski, F.; Tuilier, M.H.; Flank, A.M.

    2006-01-01

    Micro X-ray absorption near edge structure XANES and micro fluorescence experiments have been carried out using X-ray microbeam from synchrotron radiation source with high brightness to investigate the local structural evolutions of heterogeneous and natural SiO 2 submitted to alkali-silica reaction ASR process. Compared to elemental maps obtained by Environmental Scanning Electron Microscope ESEM, micro fluorescence X maps showed the diffusion of potassium cations inside the grains with higher accuracy. Si K-edge spectra show the disorder induced by the dissolution of the grain from the outside to the inside. Potassium K-edge spectra do not show significant changes around K cations. The breaking of Si-O-Si bonds and the disorder of the (SiO 4 ) n network may be affected to potassium cations

  3. Characterization of heterogeneous SiO{sub 2} materials by scanning electron microscope and micro fluorescence XAS techniques

    Energy Technology Data Exchange (ETDEWEB)

    Khouchaf, L. [Centre de Recherche de l' Ecole des Mines deDouai, 941, rue Charles Bourseul, BP. 10838, 59508 Douai (France)]. E-mail: khouchaf@ensm-douai.fr; Boinski, F. [Centre de Recherche de l' Ecole des Mines deDouai, 941, rue Charles Bourseul, BP. 10838, 59508 Douai (France); Tuilier, M.H. [GMP Equipe de recherche: MMPF, Universite de Haute-Alsace, 61 rue Albert Camus, F-68093, Mulhouse Cedex (France); Flank, A.M. [SOLEIL and Swiss Light Source SLS CH-5232 Villigen PSI (Switzerland)

    2006-11-15

    Micro X-ray absorption near edge structure XANES and micro fluorescence experiments have been carried out using X-ray microbeam from synchrotron radiation source with high brightness to investigate the local structural evolutions of heterogeneous and natural SiO{sub 2} submitted to alkali-silica reaction ASR process. Compared to elemental maps obtained by Environmental Scanning Electron Microscope ESEM, micro fluorescence X maps showed the diffusion of potassium cations inside the grains with higher accuracy. Si K-edge spectra show the disorder induced by the dissolution of the grain from the outside to the inside. Potassium K-edge spectra do not show significant changes around K cations. The breaking of Si-O-Si bonds and the disorder of the (SiO{sub 4}) {sub n} network may be affected to potassium cations.

  4. Multiple rare-earth ion environments in amorphous (Gd2O3)0.230(P2O5)0.770 revealed by gadolinium K-edge anomalous X-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Cole, Jacqueline M.; Cramer, Alisha J.; Shastri, Sarvjit D.; Mukaddem, Karim T.; Newport, Robert J

    2018-04-26

    A Gd K-edge anomalous X-ray scattering (AXS) study is performed on the rare-earth (R) phosphate glass, (Gd2O3)0.230(P2O5)0.770, in order to determine Gd…Gd separations in its local structure. The minimum rare-earth separation is of particular interest given that the optical properties of these glasses can quench when rare-earth ions become too close to each other. To this end, a weak Gd…Gd pairwise correlation is located at 4.2(1) Å which is representative of a meta-phosphate R…R separation. More intense first neighbor Gd…Gd pairwise correlations are found at the larger radial distributions, 4.8(1) Å, 5.1(1) Å and 5.4(1) Å. These reflect a mixed ultra-phosphate and meta-phosphate structural character, respectively. A second neighbor Gd…Gd pairwise correlation lies at 6.6(1) Å which is indicative of meta-phosphate structures. Meta- and ultra-phosphate classifications are made by comparing the R…R separations against those of rare-earth phosphate crystal structures, R(PO3)3 and RP5O14 respectively, or difference pair distribution function (PDF) features determined on similar glasses using difference neutron scattering methods. The local structure of this glass is therefore found to display multiple rare-earth ion environments, presumably because its composition lies between these two stoichiometric formulae. These Gd…Gd separations are well resolved in the PDFs that represent the AXS signal. Indeed, the spatial resolution is so good that it also enables the identification of R…X (X = R, P, O) pairwise correlations up to r ~ 9 Å; their average separations lie at r ~ 7.1(1) Å, 7.6(1) Å 7.9(1) Å, 8.4(1) Å and 8.7(1) Å. This is the first report of a Gd K-edge AXS study on an amorphous material. Its demonstrated ability to characterize the local structure of a glass up to such a long-range of r, heralds exciting prospects for AXS studies on other ternary non-crystalline materials. However, the technical challenge of such an experiment

  5. Fe K-Edge X-ray absorption near-edge spectroscopy (XANES) and X-ray diffraction (XRD) analyses of LiFePO4 and its base materials

    Science.gov (United States)

    Latif, C.; Negara, V. S. I.; Wongtepa, W.; Thamatkeng, P.; Zainuri, M.; Pratapa, S.

    2018-03-01

    XANES analysis has been performed with the aim of knowing the Fe oxidation state in a synthesized LiFePO4 and its base materials. XANES measurements were performed at SLRI on energy around Fe K-edge. An XRD analysis has also been performed with the aim of knowing the phase composition, lattice parameters and crystallite size of the LiFePO4 as well as the base materials. From the XRD analysis, it was found that the dominating phase in the iron sand sample was Fe3O4 and the only phase found after calcination was LiFePO4. The latter phase exhibited crystallite size of 100 nm and lattice parameters a = 10.169916 Å, b = 5.919674 Å, c = 4.627893 Å. Qualitative analysis of XANES data revealed that the oxidation number of Fe in the sample before calcination was greater than that after calcination and Fe in the natural iron sand, indicated by the E0 values of 7129.2 eV, 7120.6 eV and 7124.4 eV respectively.

  6. 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.

  7. XAS studies of the effectiveness of iron chelating treatments of Mary Rose timbers

    International Nuclear Information System (INIS)

    Berko, A; Schofield, E J; Chadwick, A V; Smith, A D; Jones, A M; Mosselmans, J F W

    2009-01-01

    The oxidation of sulfur in marine archaeological timbers under museum storage conditions is a recently identified problem, particularly for major artefacts such as historic ships excavated from the seabed. Recent work on the Vasa has stressed the role of iron in catalysing the oxidative degradation of the wood cellulose and the polyethylene glycols used to restore mechanical integrity to the timbers. In developing new treatment protocols for the long term preservation of Henry VIII of England's flagship, the Mary Rose, we are investigating the potential of chelating agents to neutralise and remove the iron products from the ships timbers. We have explored the use of aqueous solutions of chelating agents of calcium phytate, ethylenediaminetetraacetic acid (EDTA), diethylenetriaminepentaacetic acid (DTPA) and ammonium citrate to extract the iron compounds. All of these solutions exhibit some level of iron removal; however the key is to find the most effective concentration at pH of around 7 of the reagent solution, to minimise the treatment time and find the most cost-effective treatment for the whole of the Mary Rose hull. Fe K-edge XAFS data from samples of Mary Rose timbers, before and after treatment by the chelating agents mentioned has been collected. The data collected provide valuable insights into the effectiveness of the treatment solutions.

  8. Ni-induced local distortions in La1.85Sr0.15Cu1-yNiyO4 and their relevance to Tc suppression: An angular-resolved XAFS study

    International Nuclear Information System (INIS)

    Haskel, Daniel; Stern, Edward A.; Polinger, Victor; Dogan, Fatih

    2001-01-01

    We present results from angular-resolved x-ray-absorption fine-structure (XAFS) measurements at the Ni, La, and Sr K edges of oriented powders of La 1.85 Sr 0.15 Cu 1-y Ni y O 4 , with y=0.01, 0.03, 0.06. A special magnetic alignment procedure allowed us to measure pure c- and ab-oriented XAFS at the Ni K edge in identical fluorescence geometries. Both the x-ray-absorption near-edge structure and the XAFS unequivocally show that the NiO 6 octahedra are contracted along the c axis by ∼0.32 angstrom relative to CuO 6 octahedra while the in-plane distances of NiO 6 and CuO 6 octahedra are the same within 0.01 angstrom. The NiO 6 octahedral contraction drives the average c axis contraction measured by diffraction with increasing content of Ni. The local c axis shows strong spatial fluctuations, due to the different NiO 6 and CuO 6 octahedral configurations and the stronger bonding of a La 3+ ion than a Sr 2+ ion to the O(2) apical oxygens of such octahedra. We discuss the relevance of these findings to the mechanisms of loss of superconductivity at y∼0.03 and hole localization above y∼0.05 by Ni dopants

  9. Acoustic phonon dephasing in shallow GaAs/Ga 1- xAl xAs single quantum wells

    Science.gov (United States)

    Cassabois, G.; Meccherini, S.; Roussignol, Ph.; Bogani, F.; Gurioli, M.; Colocci, M.; Planel, R.; Thierry-Mieg, V.

    1998-07-01

    The intermediate dimensionality regime is studied on a set of shallow GaAs/Ga 1- xAl xAs single quantum wells. Such heterostructures exhibit 2D strong excitonic electroabsorption together with near 3D fast transport properties. We report dephasing time measurements ( T2) of the heavy-hole exciton and we show that the acoustic phonon contribution decreases with x to a value in good agreement with theoretical predictions for GaAs bulk.

  10. A solid-state NMR and DFT study of compositional modulations in AlxGa1-xAs

    NARCIS (Netherlands)

    Knijn, Paulus J.; Bentum, P. Jan M. van; Eck, Ernst R.H. van; Fang, Changming; Grimminck, Dennis L.A.G.; Groot, Robert A. de; Havenith, Remco W.A.; Marsman, Martijn; Meerts, W. Leo; Wijs, Gilles A. de; Kentgens, Arno P.M.

    2010-01-01

    We have conducted 75As and 69Ga Nuclear Magnetic Resonance (NMR) experiments to investigate order/disorder in AlxGa1-xAs lift-off films with x ~ 0.297 and 0.489. We were able to identify all possible As(AlnGa4-n) sites with n = 0–4 coordinations in 75As NMR spectra using spin-echo experiments at

  11. A nanostructured Ni/graphene hybrid for enhanced electrochemical hydrogen storage

    International Nuclear Information System (INIS)

    Choi, Moon-Hyung; Min, Young-Je; Gwak, Gyeong-Hyeon; Paek, Seung-Min; Oh, Jae-Min

    2014-01-01

    Highlights: • Graphene oxide(GO) was hybridized with the Ni(OH) 2 . • The Ni(OH) 2 /GO was reduced to Ni/graphene. • XRD, TEM, and X-ray absorption spectroscopy were examined. • The hydrogen storage property of Ni/graphene was significantly enhanced. - Abstract: To fabricate electrochemical hydrogen storage materials with delaminated structure, the graphene oxide (GO) in the ethylene glycol solution was reassembled in the presence of the precursor of Ni nanoparticles, and then, the reassembled hybrid was reduced under hydrogen atmosphere to obtain Ni/graphene hybrid. X-ray diffraction patterns and X-ray absorption spectscopic (XAS) analysis clearly show that Ni nanoparticles in Ni/graphene hybrid maintain its nanosized nature even after hybridization with graphene nanosheet (GNS). According to the TEM analysis, the Ni nanoparticles with an average size of 5.2 nm are homogeneously distributed onto the GNS in such a way that the nanoporous structure with much amount of void spaces could be fabricated. The obtained Ni/GNS exhibits a hydrogen storage capacity of 160 mA h/g, while the specific capacity of the graphene nanosheet was only 21 mA h/g. A flexible delaminated structure of Ni/GNS nanocomposite could provide additional intercalation sites for accommodation of hydrogen, leading to the enhancement of hydrogen storage capacity

  12. Characterization of Monodispersed Iron Oxide Nanocrystals by XAS and MCD measurement

    International Nuclear Information System (INIS)

    Kim, J.-Y.; Noh, H.-J.; Park, B.-G.; Kim, T.-Y.; Park, J.-H.; Hyeon, T.; Park, J.; Kang, E.

    2004-01-01

    Full text: Nanoparticles have attracted so much attention because of their potential technological applications and abundance of scientifically interesting issues. In particular, magnetic nanoparticles are considered to be applicable to various magnetic devices such as terabit memory, ferrofluids, magnetocaloric refrigeration systems, blood cells, etc. With the development of nano-technology, variation of physical properties as a function of particle size is one of the most important issues, but has been rarely explored because of difficulty of the size control in synthesizing nanoparticles. Recently, some of us successfully synthesized high crystalline and monodisperse maghemite nanoparticles without a size selection process and research in this field seems to be promoted by one step. In this report, we present a systematic characterization of the monodispersed nanocrystalline γ - Fe 2 O 3 with the diameter of 13, 8 and 4 nm by measuring the x-ray absorption spectroscopy (XAS) and the x-ray magnetic circular dichroism(XMCD) spectra on Fe L edge. The spectra of the 4 nm nanoparticles are very similar to those of maghemite (γ - Fe 2 O 3 ). However, the spectra become close to those of magnetite (Fe 3 O 4 ) as the particle size becomes 8 and 13 nm. Considering that the maghemite and magnetite have the same spinel structure with different Fe vacancies, these results can be explained that the surface of nanoparticles has more vacancies than the core part, indicating that surface disorder increases as the particle size decreases

  13. Development of Ta-based Superconducting Tunnel Junction X-ray Detectors for Fluorescence XAS

    International Nuclear Information System (INIS)

    Friedrich, S.; Drury, O.; Hall, J.; Cantor, R.

    2009-01-01

    We are developing superconducting tunnel junction (STJ) soft X-ray detectors for chemical analysis of dilute samples by fluorescence-detected X-ray absorption spectroscopy (XAS). Our 36-pixel Nb-based STJ spectrometer covers a solid angle (Omega)/4π ∼ 10 -3 , offers an energy resolution of ∼10-20 eV FWHM for energies up to ∼1 keV, and can be operated at total count rates of ∼10 6 counts/s. For increased quantum efficiency and cleaner response function, we have now started the development of Ta-based STJ detector arrays. Initial devices modeled after our Nb-based STJs have an energy resolution below 10 eV FWHM for X-ray energies below 1 keV, and pulse rise time discrimination can be used to improve their response function for energies up to several keV. We discuss the performance of the Ta-STJs and outline steps towards the next-generation of large STJ detector arrays with higher sensitivity.

  14. WE-FG-207B-01: BEST IN PHYSICS (IMAGING): Abdominal CT with Three K-Edge Contrast Materials Using a Whole-Body Photon-Counting Scanner: Initial Results of a Large Animal Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Lakshmanan, M; Symons, R; Cork, T; Davies-Venn, C; Rice, K; Malayeri, A; Sandfort, V; Bluemke, D; Pourmorteza, A [National Institutes of Health Clinical Center, Bethesda, MD (United States)

    2016-06-15

    Purpose: To demonstrate the feasibility of in vivo three-material decomposition techniques using photon-counting CT (PCCT) with possible advantage of resolving arterial and venous flow of an organ simultaneously. Methods: Abdominal PCCT scans were acquired using a prototype whole-body PCCT with four energy thresholds (25/50/75/90keV) in a canine. Bismuth subsalicylate (60 mg) was administered orally one day prior to scanning. Immediately prior to CT scan, gadoteric acid (60 ml, Dotarem, Guerbet) was intravenously injected, followed in ten minutes by a 20mL injection of iodinated contrast (iopamidol 370 mg/mL, Bracco). Scans were acquired every ∼20 seconds, starting from the time of iodine injection. Linear material decomposition was performed using the least mean squares method to create concentration maps of iodine, gadolinium, and bismuth. The method was calibrated to vials with known concentrations of materials placed next to the animal. The accuracy of this method was tested on vials with known concentrations. Results: The material decomposition algorithm’s accuracy was confirmed to be within ±4mM in the test vials. In the animal, we could estimate the concentration of gadolinium in delayed-enhanced phase (10 minutes post-injection) in the abdomen. We could follow the wash-in and wash-out of iodine in arterial, venous, and excretory flow of the kidneys (20s, 80s, and 120s post-iodine injection) while gadolinium was present in the delayed-enhanced phase. Bismuth, which was used as a contrast agent for the gastro-intestinal tract, was easily differentiable from the other two contrast agents in the small intestine. Conclusion: This study shows the feasibility of using photon-counting CT with four energy thresholds to differentiate three k-edge contrast agents in vivo. This can potentially reduce radiation dose to patients by combining arterial and venous phases into a single acquisition.

  15. Structural characterization of half-metallic Heusler compound NiMnSb

    Energy Technology Data Exchange (ETDEWEB)

    Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Abdul-Kader, A.M.; Bach, P.; Schmidt, G.; Molenkamp, L.W.; Turos, A.; Karczewski, G

    2004-06-01

    High resolution X-ray diffraction (HRXRD) and Rutherford backscattering/channeling (RBS/c) techniques were used to characterize layers of NiMnSb grown by molecular beam epitaxy (MBE) on InP with a In{sub x}Ga{sub 1-x}As buffer. Angular scans in the channeling mode reveal that the crystal structure of NiMnSb is tetragonally deformed with c/a=1.010{+-}0.002, in agreement with HRXRD data. Although HRXRD demonstrates the good quality of the pseudomorphic NiMnSb layers the channeling studies show that about 20% of atoms in the layers do not occupy lattice sites in the [0 0 1] rows of NiMnSb. The possible mechanisms responsible for the observed disorder are discussed.

  16. The Silicon Environment in Silica Polymorphs, Aluminosilicate Crystals and Melts: An In Situ High Temperature XAS Study

    International Nuclear Information System (INIS)

    Cormier, L.; Neuville, D. R.; Roux, J.; Ligny, D. de; Henderson, G. S.; Flank, A.-M.; Lagarde, P.

    2007-01-01

    High temperature X-ray absorption spectroscopy at the Si K-edge has been used to obtain in situ information on SiO2 phase transitions upon heating. Important modifications are observed for the XANES spectra of the high temperature polymorphs, in relation to disordering of the SiO4 tetrahedra beyond the short-range correlations. This paper also presents the XANES spectra of anorthite (CaAl2Si2O8) from room temperature up to the melt (1900 K). This study shows the possibilities for determining the Si environment in crystals and glasses up to the liquid state using in situ XANES measurements

  17. In situ XAS study of the Mn(III)(salen)Br catalyzed synthesis of cyclic organic carbonates from epoxides and CO2

    DEFF Research Database (Denmark)

    Jutz, Fabian; Grunwaldt, Jan-Dierk; Baiker, Alfons

    2009-01-01

    In situ X-ray absorption spectroscopy at the Mn K- and Br K-edge was employed to study the cycloaddition of carbon dioxide to propylene oxide and styrene oxide, catalyzed by Mn(III) salen bromide complexes. Three homogeneous complexes with varying salen ligand structure and one complex immobilized...... coordination of the bromine neighbors to the Mn central atom was also evidenced by EXAFS spectra, e.g. loss of Br backscattering in the Mn K-EXAFS spectra and the Mn-backscattering in the Br K-edge spectra. In the catalytic studies it was observed that propylene oxide usually reacted much faster than styrene...

  18. Characterization of atmospheric aerosols using Synchroton radiation total reflection X-ray fluorescence and Fe K-edge total reflection X-ray fluorescence-X-ray absorption near-edge structure

    Energy Technology Data Exchange (ETDEWEB)

    Fittschen, U.E.A. [Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)], E-mail: ursula.fittschen@chemie.uni-hamburg.de; Meirer, F. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: fmeirer@ati.ac.at; Streli, C. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: streli@ati.ac.at; Wobrauschek, P. [Atominstitut, Vienna University of Technology, Stadionallee 2, 1020 Wien (Austria)], E-mail: wobi@ati.ac.at; Thiele, J. [Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)], E-mail: Julian.Thiele@gmx.de; Falkenberg, G. [Hamburger Synchrotronstrahlungslabor at Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22603 Hamburg (Germany)], E-mail: falkenbe@mail.desy.de; Pepponi, G. [ITC-irst, Via Sommarive 18, 38050 Povo (Trento) (Italy)], E-mail: pepponi@itc.it

    2008-12-15

    In this study a new procedure using Synchrotron total reflection X-ray fluorescence (SR-TXRF) to characterize elemental amounts in atmospheric aerosols down to particle sizes of 0.015 um is presented. The procedure was thoroughly evaluated regarding bounce off effects and blank values. Additionally the potential of total reflection X-ray fluorescence-X-ray absorption near edge structure (SR-TXRF-XANES) for speciation of FeII/III down to amounts of 34 pg in aerosols which were collected for 1 h is shown. The aerosols were collected in the city of Hamburg with a low pressure Berner impactor on Si carriers covered with silicone over time periods of 60 and 20 min each. The particles were collected in four and ten size fractions of 10.0-8.0 {mu}m, 8.0-2.0 {mu}m, 2.0-0.13 {mu}m 0.13-0.015 {mu}m (aerodynamic particle size) and 15-30 nm, 30-60 nm, 60-130 nm, 130-250 nm, 250-500 nm, 0.5-1 {mu}m, 1-2 {mu}m, 2-4 {mu}m, 4-8 {mu}m, 8-16 {mu}m. Prior to the sampling 'bounce off' effects on Silicone and Vaseline coated Si carriers were studied with total reflection X-ray fluorescence. According to the results silicone coated carriers were chosen for the analysis. Additionally, blank levels originating from the sampling device and the calibration procedure were studied. Blank levels of Fe corresponded to 1-10% of Fe in the aerosol samples. Blank levels stemming from the internal standard were found to be negligible. The results from the Synchroton radiation total reflection X-ray fluorescence analysis of the aerosols showed that 20 min of sampling time gave still enough sample material for elemental determination of most elements. For the determination of the oxidation state of Fe in the aerosols different Fe salts were prepared as a reference from suspensions in isopropanol. The results from the Fe K-edge Synchroton radiation total reflection X-ray fluorescence-X-ray absorption near-edge structure analysis of the aerosol samples showed that mainly Fe(III) was present in

  19. Characterization of atmospheric aerosols using Synchroton radiation total reflection X-ray fluorescence and Fe K-edge total reflection X-ray fluorescence-X-ray absorption near-edge structure

    International Nuclear Information System (INIS)

    Fittschen, U.E.A.; Meirer, F.; Streli, C.; Wobrauschek, P.; Thiele, J.; Falkenberg, G.; Pepponi, G.

    2008-01-01

    In this study a new procedure using Synchrotron total reflection X-ray fluorescence (SR-TXRF) to characterize elemental amounts in atmospheric aerosols down to particle sizes of 0.015 um is presented. The procedure was thoroughly evaluated regarding bounce off effects and blank values. Additionally the potential of total reflection X-ray fluorescence-X-ray absorption near edge structure (SR-TXRF-XANES) for speciation of FeII/III down to amounts of 34 pg in aerosols which were collected for 1 h is shown. The aerosols were collected in the city of Hamburg with a low pressure Berner impactor on Si carriers covered with silicone over time periods of 60 and 20 min each. The particles were collected in four and ten size fractions of 10.0-8.0 μm, 8.0-2.0 μm, 2.0-0.13 μm 0.13-0.015 μm (aerodynamic particle size) and 15-30 nm, 30-60 nm, 60-130 nm, 130-250 nm, 250-500 nm, 0.5-1 μm, 1-2 μm, 2-4 μm, 4-8 μm, 8-16 μm. Prior to the sampling 'bounce off' effects on Silicone and Vaseline coated Si carriers were studied with total reflection X-ray fluorescence. According to the results silicone coated carriers were chosen for the analysis. Additionally, blank levels originating from the sampling device and the calibration procedure were studied. Blank levels of Fe corresponded to 1-10% of Fe in the aerosol samples. Blank levels stemming from the internal standard were found to be negligible. The results from the Synchroton radiation total reflection X-ray fluorescence analysis of the aerosols showed that 20 min of sampling time gave still enough sample material for elemental determination of most elements. For the determination of the oxidation state of Fe in the aerosols different Fe salts were prepared as a reference from suspensions in isopropanol. The results from the Fe K-edge Synchroton radiation total reflection X-ray fluorescence-X-ray absorption near-edge structure analysis of the aerosol samples showed that mainly Fe(III) was present in all particle size fractions

  20. The Effect of Electrical Polarization on Electronic Structure in LSM Electrodes: An Operando XAS, RIXS and XES Study

    DEFF Research Database (Denmark)

    Traulsen, Marie Lund; Carvalho, H.W.P.; Zielke, Philipp

    2017-01-01

    in the Mn K edge energy towards lower energies. The shift is assigned to a decrease in the average Mn oxidation state, which based on Kβ XES changes from 3.4 at open circuit voltage to 3.2 at −800 mV applied potential. Furthermore, RIXS rendered pronounced changes in the population of the Mn 3d orbitals...... (RIXS) at the Mn K-edge. The study of polarization induced changes in the electronic properties and structure has been carried out at 500°C in 10–20% O2 with electrical polarization applied in the range from −850 mV to 800 mV. Cathodic polarizations in the range −600 mV to −850 mV induced a shift......, due to filling of the Mn d-orbitals during the cathodic polarization. Overall, the study experimentally links the electrical polarization of LSM electrodes to the structural and electronic properties of Mn - these properties are expected to be of major importance for the electrocatalytic performance...

  1. Spin excitation and band-narrowing in Al{sub x}Ga{sub 1-x}As heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Miah, M. Idrish, E-mail: m.miah@griffith.edu.au [Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh)

    2010-11-01

    We studied the spin excitation in dependences of the applied electric field and lattice temperature (LT) via the measurements of the circularly polarized photoluminescence (CPPL) in Al{sub x}Ga{sub 1-x}As heterostructures (HSs). The intensity of CPPL was found to strongly depend on the electric field applied to the HSs. The CPPL was also found to enhance with decreasing LT. It was demonstrated that the observed LT dependence might be due to the LT-dependent band-gap shift of the HS materials.

  2. PySpline: A Modern, Cross-Platform Program for the Processing of Raw Averaged XAS Edge and EXAFS Data

    International Nuclear Information System (INIS)

    Tenderholt, Adam; Hedman, Britt; Hodgson, Keith O.

    2007-01-01

    PySpline is a modern computer program for processing raw averaged XAS and EXAFS data using an intuitive approach which allows the user to see the immediate effect of various processing parameters on the resulting k- and R-space data. The Python scripting language and Qt and Qwt widget libraries were chosen to meet the design requirement that it be cross-platform (i.e. versions for Windows, Mac OS X, and Linux). PySpline supports polynomial pre- and post-edge background subtraction, splining of the EXAFS region with a multi-segment polynomial spline, and Fast Fourier Transform (FFT) of the resulting k3-weighted EXAFS data

  3. Predicted electronic and structural properties of B{sub x}In{sub 1-x}As

    Energy Technology Data Exchange (ETDEWEB)

    Tayebi, N. [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria); Benkabou, K., E-mail: kbenkabou@yahoo.fr [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria); Aoumeur-Benkabou, F.Z. [Laboratory of Applied Materials, University of Sidi Bel Abbes, 31 rue de Madagascar, Sidi Bel Abbes (Algeria)

    2012-07-15

    Structural and electronic properties of the B{sub x}In{sub 1-x}As ternary alloy are studied using the tight binding method. The optical band gap bowing is calculated for the first time in the full range of Boron composition x. It is found to be strong. A small deviation from virtual crystal approximation is found for the bond length. New results on elastic constants are reported. The obtained results are in good agreement with the available data in the literature.

  4. Petroleum Science and Technology Institute with the TeXas Earth and Space Science (TXESS) Revolution

    Science.gov (United States)

    Olson, H. C.; Olson, J. E.; Bryant, S. L.; Lake, L. W.; Bommer, P.; Torres-Verdin, C.; Jablonowski, C.; Willis, M.

    2009-12-01

    The TeXas Earth and Space Science (TXESS) Revolution, a professional development program for 8th- thru 12th-grade Earth Science teachers, presented a one-week Petroleum Science and Technology Institute at The University of Texas at Austin campus. The summer program was a joint effort between the Jackson School of Geosciences and the Department of Petroleum and Geosystems Engineering. The goal of the institute was to focus on the STEM components involved in the petroleum industry and to introduce teachers to the larger energy resources theme. The institute kicked off with a welcoming event and tour of a green, energy-efficient home (LEED Platinum certified) owned by one of the petroleum engineering faculty. Tours of the home included an introduction to rainwater harvesting, solar energy, sustainable building materials and other topics on energy efficiency. Classroom topics included drilling technology (including a simulator lab and an overview of the history of the technology), energy use and petroleum geology, well-logging technology and interpretation, reservoir engineering and volumetrics (including numerous labs combining chemistry and physics), risk assessment and economics, carbon capture and storage (CO2 sequestration technology) and hydraulic fracturing. A mid-week field trip included visiting the Ocean Star offshore platform in Galveston, the Weiss Energy Hall at the Houston Museum of Science and Schlumberger (to view 3-D visualization technology) in Houston. Teachers remarked that they really appreciated the focused nature of the institute and especially found the increased use of mathematics both a tool for professional growth, as well as a challenge for them to use more math in their science classes. STEM integration was an important feature of the summer institute, and teachers found the integration of science (earth sciences, geophysics), technology, engineering (petroleum, chemical and reservoir) and mathematics particularly valuable. Pre

  5. Interaction of selenite with reduced Fe and/or S species: An XRD and XAS study.

    Science.gov (United States)

    Finck, Nicolas; Dardenne, Kathy

    2016-05-01

    In this study, we investigated the interaction between selenite and either Fe((II))aq or S((-II))aq in solution, and the results were used to investigate the interaction between Se((IV))aq and FeS in suspension. The reaction products were characterized by a combination of methods (SEM, XRD and XAS) and the reaction mechanisms were identified. In a first experiment, Se((IV))aq was reduced to Se((0)) by interaction with Fe((II))aq which was oxidized to Fe((III)), but the reaction was only partial. Subsequently, some Fe((III)) produced akaganeite (β-FeOOH) and the release of proton during that reaction decreased the pH. The pH decrease changed the Se speciation in solution which hindered further Se((IV)) reduction by Fe((II))aq. In a second experiment, Se((IV))aq was quantitatively reduced to Se((0)) by S((-II))aq and the reaction was fast. Two sulfide species were needed to reduce one Se((IV)), and the observed pH increase was due to a proton consumption. For both experiments, experimental results are consistent with expectations based on the oxidation reduction potential of the various species. Upon interaction with FeS, Se((IV))aq was reduced to Se((0)) and minute amounts of pyrite were detected, a consequence of partial mackinawite oxidation at surface sulfur sites. These results are of prime importance with respect to safe deep disposal of nuclear waste which contains the long-lived radionuclide (79)Se. This study shows that after release of (79)Se((IV)) upon nuclear waste matrix corrosion, selenite can be reduced in the near field to low soluble Se((0)) by interaction with Fe((II))aq and/or S((-II))aq species. Because the solubility of Se((0)) species is significantly lower than that of Se((IV)), selenium will become much less (bio)available and its migration out of deep HLW repositories may be drastically hindered. Copyright © 2016. Published by Elsevier B.V.

  6. Growth of block copolymer stabilized metal nanoparticles probed simultaneously by in situ XAS and UV-Vis spectroscopy.

    Science.gov (United States)

    Nayak, C; Bhattacharyya, D; Jha, S N; Sahoo, N K

    2016-01-01

    The growth of Au and Pt nanoparticles from their respective chloride precursors using block copolymer-based reducers has been studied by simultaneous in situ measurement of XAS and UV-Vis spectroscopy at the energy-dispersive EXAFS beamline (BL-08) at INDUS-2 SRS at RRCAT, Indore, India. While the XANES spectra of the precursor give real-time information on the reduction process, the EXAFS spectra reveal the structure of the clusters formed at the intermediate stages of growth. The growth kinetics of both types of nanoparticles are found to be almost similar and are found to follow three stages, though the first stage of nucleation takes place earlier in the case of Au than in the case of Pt nanoparticles due to the difference in the reduction potential of the respective precursors. The first two stages of the growth of Au and Pt nanoparticles as obtained by in situ XAS measurements could be corroborated by simultaneous in situ measurement of UV-Vis spectroscopy also.

  7. Stress-induced Curie temperature increase in the Fe{sub 64}Ni{sub 36} invar alloy

    Energy Technology Data Exchange (ETDEWEB)

    Gorria, Pedro; Martinez-Blanco, David; Blanco, Jesus A. [Departamento de Fisica, Universidad de Oviedo (Spain); Boada, Roberto; Chaboy, Jesus [ICMA and Departamento de Fisica de la Materia Condensada, CSIC - Universidad de Zaragoza (Spain); Fernandez-Martinez, Alejandro [LGIT, University of Grenoble and CNRS, Maison des Geosciences, Grenoble (France); Institut Laue-Langevin, Grenoble (France); Garbarino, Gaston; Castro, German R.; Mezouar, Mohamed [European Synchrotron Radiation Facility (ESRF), Grenoble (France); Smith, Ronald I. [ISIS Facility, RAL, Chilton, Didcot, Oxon (United Kingdom); Alonso, J.I.G. [Department of Physical and Analytical Chemistry, University of Oviedo (Spain); Hernando, Antonio [Instituto de Magnetismo Aplicado, UCM-ADIF-CSIC, Madrid (Spain)

    2009-05-15

    Structural and magnetic changes on invar Fe{sub 64}Ni{sub 36} alloy (T{sub C}=500 K) produced by mechanical milling followed by heating up to 1073 K, were investigated by neutron diffraction, magnetization measurements, X-ray diffraction under high pressures and X-ray absorption at both Fe and Ni K-edges. We argue that the strain induced in the Fe{sub 64}Ni{sub 36} material after this treatment mainly affects the Fe sites due to the magnetovolume coupling, the most notorious feature being the increase of the Curie temperature ({delta}T{sub C}=70 K). (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Phase diagram of a two-dimensional liquid in GaAs/AlxGa1-xAs biased double quantum wells

    DEFF Research Database (Denmark)

    Timofeev, V. B.; Larionov, A. V.; Alessi, M. G.

    2000-01-01

    Photoluminescence (PL) and PL excitation (PLE) measurements have been performed in GaAs/AlxGa1-xAs biased double quantum well heterostructures. The recombination of electrons, e, with holes, h, located in the same or in two adjacent wells, has been investigated for different exciting power...

  9. Electron microscopic and optical investigations of the indium distribution GaAs capped InxGa1-xAs islands

    DEFF Research Database (Denmark)

    Woggon, U.; Langbein, Wolfgang Werner; Hvam, Jørn Märcher

    1997-01-01

    Results from a structural and optical analysis of buried InxGa1-xAs islands carried out after the process of GaAs overgrowth are presented. It is found that during the growth process, the indium concentration profile changes and the thickness of the wetting layer emanating from a Stranski-Krastan...

  10. The time-resolved and extreme conditions XAS (TEXAS) facility at the European Synchrotron Radiation Facility: the general-purpose EXAFS bending-magnet beamline BM23

    Energy Technology Data Exchange (ETDEWEB)

    Mathon, O., E-mail: mathon@esrf.fr; Beteva, A.; Borrel, J.; Bugnazet, D.; Gatla, S.; Hino, R.; Kantor, I.; Mairs, T. [European Synchrotron Radiation Facility, CS 40220, 38043 Grenoble Cedex 9 (France); Munoz, M. [European Synchrotron Radiation Facility, CS 40220, 38043 Grenoble Cedex 9 (France); Université Joseph Fourier, 1381 rue de la Piscine, BP 53, 38041 Grenoble Cedex 9 (France); Pasternak, S.; Perrin, F.; Pascarelli, S. [European Synchrotron Radiation Facility, CS 40220, 38043 Grenoble Cedex 9 (France)

    2015-10-17

    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. 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.

  11. An assessment of some theoretical models used for the calculation of the refractive index of InXGa1-xAs

    Science.gov (United States)

    Engelbrecht, J. A. A.

    2018-04-01

    Theoretical models used for the determination of the refractive index of InXGa1-XAs are reviewed and compared. Attention is drawn to some problems experienced with some of the models. Models also extended to the mid-infrared region of the electromagnetic spectrum. Theoretical results in the mid-infrared region are then compared to previously published experimental results.

  12. Optimization of the confinement energy of quantum-wire states in T-shaped GaAs/AlxGa1-xAs structures

    DEFF Research Database (Denmark)

    Langbein, Wolfgang Werner; Gislason, Hannes; Hvam, Jørn Märcher

    1996-01-01

    We report on an optimization of the wire confinement energies of the confined electronic states at the T-shaped intersection of GaAs and AlxGa1-xAs quantum wells. These structures can be produced by the cleaved edge overgrowth technique. We present an analytical model for the confinement to give ...

  13. Investigation of the supported nickel catalysts by XAS and XRD, using synchrotron radiation

    International Nuclear Information System (INIS)

    Aldea, N.; Marginean, P.; Gluhoi, A.; Yaning, Xie; Dong, Bazohong

    2001-01-01

    In the first part of the paper we present a study based on EXAFS spectroscopy. This method can yield structural information about the local environment around a specific atomic constituent in the amorphous materials, the location and chemical state of any catalytic atom on any support or point defect structures in alloys and composites. EXAFS is a specific technique of the scattering of X-ray on materials. The present study is aimed toward elucidating the local structure of Ni atoms and their interaction with oxide support. In this case, we analyse the first three shells of coordination. The second aim of the paper consists in X-ray diffraction on the same samples. X-ray diffraction method which is capable to determine average particle size, microstrains, probability of faults as well as particle size distribution function of supported Ni catalysts is presented. The method is based on the Fourier analysis of X-Ray diffraction profiles such as (111) (200) and (220). We are going to work out a chemisorption model by the correlation of the local and global structure connected with the specific surface. On the other hand, we will try to estimate specific surface values determined by classical method with occupation factor evaluated by the geometrical Ni clusters. The results obtained on supported nickel catalysts which are used in H/D isotopic exchange reactions are reported. The global structure is obtained with a new fitting method based on the Generalised Fermi Function facilities for approximation and Fourier transform of the experimental X-Ray line profiles. Both types of measurements were performed on Beijing Synchrotron Radiation Facilities (BSRF). (authors)

  14. A combined in situ XAS-XRPD-Raman study of Fischer-Tropsch synthesis over a carbon supported Co catalyst

    DEFF Research Database (Denmark)

    Tsakoumis, Nikolaos E.; Dehghan, Roya; Johnsen, Rune

    2013-01-01

    A cobalt based Fischer-Tropsch synthesis (FTS) catalyst, supported on a carbon nanofibers/carbon felt composite (Co/CNF/CF) was studied in situ at realistic conditions. The catalyst was monitored by Xray absorption spectroscopy (XAS), high-resolution X-ray powder diffraction (HR-XRPD) and Raman...... spectroscopy, while changes in the gas phase were observed by mass spectrometry (MS). Transmission electron microscopy (TEM) was also applied to characterise the catalyst. The catalyst has a bimodal particle size distribution and exhibits a high deactivation rate. During the in situ study the catalyst appears...... to reduce further at the induction period of FTS, while crystallite growth is been detected in the same period. At steady state FTS the amount of metallic Co is constant. A change in the volumetric flow towards higher conversions did not affect the degree of reduction or the crystallite size of the catalyst...

  15. Deoxygenation of palm kernel oil to jet fuel-like hydrocarbons using Ni-MoS_2/γ-Al_2O_3 catalysts

    International Nuclear Information System (INIS)

    Itthibenchapong, Vorranutch; Srifa, Atthapon; Kaewmeesri, Rungnapa; Kidkhunthod, Pinit; Faungnawakij, Kajornsak

    2017-01-01

    Highlights: • The Ni-MoS_2/γ-Al_2O_3 catalysts synthesized using thiourea solution processing. • The Ni-MoS_2 showed semi-amorphous crystallinity with crystallite size of 5–10 nm. • The Ni K-edge XANES and EXAFS indicated the Ni substitution in MoS_2 structure. • A high yield of jet fuel-like hydrocarbon (>90%) from the palm kernel oil feedstock. • The HDO pathway was highly selective, while the DCO_2 and DCO pathways were minor. - Abstract: In the current study, palm kernel oil was used as a renewable feedstock for production of jet fuel-like hydrocarbons via the deoxygenation over the Ni-MoS_2/γ-Al_2O_3 catalyst. The dominant C12 fatty acid content in palm kernel oil makes it promising for jet fuel application. Synthesized by a liquid processing method with thiourea organosulfur agent, the catalyst revealed MoS_2 structure with low stacking, while Ni substitution in the MoS_2 structure and interaction with the Al_2O_3 support were determined based on the Ni K-edge XANES and EXAFS results. A high hydrodeoxygenation (HDO) activity, which as the major pathway in the deoxygenation, was observed upon application of a H_2 pressure of 30–50 bar over Ni-MoS_2/γ-Al_2O_3. The optimum product yield of approximately 92% was obtained mainly from the HDO pathway (∼60%) with 58% selectivity to C10–C12 jet fuel hydrocarbons. The flow property of the jet fuel-like hydrocarbons was more desirable than those obtained from palm olein oil-derived fuel.

  16. Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications

    KAUST Repository

    Haq, Bakhtiar Ul

    2014-02-01

    In the present work we did mutual alloying of the versatile XAs (X=Ga, In, Al) materials in order to improve their efficiency and enhance their range of technological applications using state of the art first principles method. We investigate the structural, electronic and thermodynamic properties of Ga1-xAlxAs, Ga1-xInxAs and In1-xAlxAs for x=0.25, 0.50, and 0.75. Calculations have been performed using the density functional theory (DFT) as implemented within the full potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. For exchange and correlation energy treatment, we employed the local density approximations (LDA) as proposed by Wang and Perdew and the generalized gradient approximation (GGA) from Perdew et al. proposed. To calculate the accurate band structure, recently modified Becke Johnson (mBJ) potential was suggested as an alternative. Our calculations show a linear fall in the lattice constant in contrast to linear rise in bulk moduli of Ga1-xAlxAs and In1-xAlxAs with the increase of Al concentration. However the change of indium concentration in Ga1-xInxAs is displaying a reverse effect. The energy band gap of Ga1-xAlxAs and In1-xAlxAs was found to be increased, where a crossover from direct to indirect band gap has been observed with the increase of Al concentration. This direct to indirect crossover was found at 93.4% of Al concentration for Ga1-xAlxAs and at 84.63% of Al concentration for In1-xAlxAs. The effect of the mutual alloying of XAs materials on the thermodynamic properties is comprehensively reported. © 2013 Elsevier Ltd.

  17. Mutual alloying of XAs (X=Ga, In, Al) materials: Tuning the optoelectronic and thermodynamic properties for solar energy applications

    KAUST Repository

    Haq, Bakhtiar Ul; Ahmed, Rashid; El Haj Hassan, Fouad; Khenata, Rabah; Kasmin, Mohd Khalid; Goumri-Said, Souraya

    2014-01-01

    In the present work we did mutual alloying of the versatile XAs (X=Ga, In, Al) materials in order to improve their efficiency and enhance their range of technological applications using state of the art first principles method. We investigate the structural, electronic and thermodynamic properties of Ga1-xAlxAs, Ga1-xInxAs and In1-xAlxAs for x=0.25, 0.50, and 0.75. Calculations have been performed using the density functional theory (DFT) as implemented within the full potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. For exchange and correlation energy treatment, we employed the local density approximations (LDA) as proposed by Wang and Perdew and the generalized gradient approximation (GGA) from Perdew et al. proposed. To calculate the accurate band structure, recently modified Becke Johnson (mBJ) potential was suggested as an alternative. Our calculations show a linear fall in the lattice constant in contrast to linear rise in bulk moduli of Ga1-xAlxAs and In1-xAlxAs with the increase of Al concentration. However the change of indium concentration in Ga1-xInxAs is displaying a reverse effect. The energy band gap of Ga1-xAlxAs and In1-xAlxAs was found to be increased, where a crossover from direct to indirect band gap has been observed with the increase of Al concentration. This direct to indirect crossover was found at 93.4% of Al concentration for Ga1-xAlxAs and at 84.63% of Al concentration for In1-xAlxAs. The effect of the mutual alloying of XAs materials on the thermodynamic properties is comprehensively reported. © 2013 Elsevier Ltd.

  18. Hydrothermal synthesis and magneto-optical properties of Ni-doped ZnO hexagonal columns

    International Nuclear Information System (INIS)

    Xu, Xingyan; Cao, Chuanbao

    2015-01-01

    Single crystal Zn 1−x Ni x O (x=0, 0.02, 0.04, 0.06) hexagonal columns have been synthesized by a simple hydrothermal route. The hexagonal columns of the products are about 3 μm in diameter and about 2 μm in thickness. X-ray diffraction (XRD), Ni K-edge XANES spectra and TEM indicate that the as-prepared samples are single-crystalline wurtzite structure and no metallic Ni or other secondary phases are found in the hexagonal columns. Optical absorption and Raman results further confirm the incorporation of Ni 2+ ions in the ZnO lattice. Magnetic measurements indicate that the Zn 1−x Ni x O hexagonal columns exhibited obvious ferromagnetic characteristic at room temperature. The coercive fields (H c ) were obtained to be 135.3, 327.79 and 127.29 Oe for x=0.02, 0.04 and 0.06, respectively. The ferromagnetism was assumed to originate from the exchange interaction between free carriers (holes or electrons) from the valence band and the localized d spins on the Ni ions. - Highlights: • Single crystal Zn 1−x Ni x O (x=0, 0.02, 0.04, 0.06) hexagonal columns were synthesized by a simple hydrothermal method. • The layer-by-layer growth manner of the Zn 1−x Ni x O hexagonal columns was proposed. • Obvious room-temperature ferromagnetic characteristic of Zn 1−x Ni x O are observed and the coercivity (H c ) are 135.3,327.79 and 127.29 Oe for x=0.02, 0.04 and 0.06, respectively. • The exchange interaction between local-spin polarized electrons and conduction electrons is responsible for the room-temperature ferromagnetism in the Zn 1−x Ni x O hexagonal columns

  19. Analysis of the suitability of Al{sub x}Ga{sub 1-x}As as active material in III-V multiple-junction solar cells; Analyse zur Eignung von Al{sub x}Ga{sub 1-x}As als aktives Material in III-V Mehrfachsolarzellen

    Energy Technology Data Exchange (ETDEWEB)

    Heckelmann, Stefan

    2017-05-01

    In the past, Al{sub x}Ga{sub 1-x}As single and multiple-junction solar cells have been manufactured and tested. Although the ternary Al{sub x}Ga{sub 1-x}As is one of the most studied semiconductor systems, the results have often lagged behind expectations. In the thesis presented here, for the first time, the deep understanding of the Al{sub x}Ga{sub 1-x}As material system resulting from material analysis was linked with its application in solar cells. As has been shown, many cell results can only be explained if the peculiarities of the material, in particular the formation of DX centers and the transition from direct to indirect semiconductor, are also included. From this purposeful consideration of the material in terms of its usefulness in the semiconductor device and the technological significance of individual properties, not only high-quality solar cells based on Al{sub x}Ga{sub 1-x}As were produced but also new insights into the material properties of (Al{sub y}Ga{sub 1-y}){sub 1-z}In{sub z}As and the information gain from photoluminescence measurements can be significantly increased. [German] In der Vergangenheit wurden bereits Einfach- und Mehrfachsolarzellen aus Al{sub x}Ga{sub 1-x}As hergestellt und untersucht. Obwohl das ternaere Al{sub x}Ga{sub 1-x}As eines der meist untersuchten Halbleitersysteme ist, blieben die Ergebnisse oft hinter den Erwartungen zurueck. In der hier vorgestellten Dissertation wurde zum ersten Mal das aus der Materialanalytik heraus entstandene, tiefe Verstaendnis ueber das AlxGa1-xAs Materialsystem mit seiner Anwendung in Solarzellen verknuepft. Wie sich gezeigt hat, werden viele Zellergebnisse erst erklaerbar, wenn auch die Besonderheiten des Materials, insbesondere die Bildung von DX-Zentren und der Uebergang vom direkten zum indirekten Halbleiter, mit einbezogen werden. Aus dieser zielgerichteten Betrachtung des Materials im Hinblick auf seinen Nutzen im Halbleiterbauelement und der technologischen Bedeutung einzelner

  20. Some properties of Ga-As-Alsub(x)Gasub(1-x)As heterojunction grown by low temperature liquid phase epitaxy

    International Nuclear Information System (INIS)

    Yu Lisheng; Liu Hongxun; Zhang Bei; Wang Shumin

    1986-03-01

    GaAs-Alsub(x)Gasub(1-x)As heterojunction was grown by liquid phase epitaxy at low growth temperature 650-700 deg. C. The series resistance of heterojunction with DH laser structure was measured. Doping properties of Mg in GaAs and Alsub(x)Gasub(1-x)As were investigated. It is found that impurity concentration of Mg as high as 10 18 cm -3 can be doped easily. The Shubnikov-de-Haas oscillation was observed in GaAs-N Alsub(0.35)Gasub(0.65)As heterointerface. It is demonstrated that in these heterointerfaces there exists 2DEG with some contribution from 3D electron of N-AlGaAs layer. (author)

  1. Multiscale structural characterizations of mixed U(iv)-An(iii) oxalates (An(iii) = Pu or Am) combining XAS and XRD measurements.

    Science.gov (United States)

    Arab-Chapelet, B; Martin, P M; Costenoble, S; Delahaye, T; Scheinost, A C; Grandjean, S; Abraham, F

    2016-04-28

    Mixed actinide(III,IV) oxalates of the general formula M2.2UAn(C2O4)5·nH2O (An = Pu or Am and M = H3O(+) and N2H5(+)) have been quantitatively precipitated by oxalic precipitation in nitric acid medium (yield >99%). Thorough multiscale structural characterization using XRD and XAS measurements confirmed the existence of mixed actinide oxalate solid solutions. The XANES analysis confirmed that the oxidation states of the metallic cations, tetravalent for uranium and trivalent for plutonium and americium, are maintained during the precipitation step. EXAFS measurements show that the local environments around U(+IV), Pu(+III) and Am(+III) are comparable, and the actinides are surrounded by ten oxygen atoms from five bidentate oxalate anions. The mean metal-oxygen distances obtained by XAS measurements are in agreement with those calculated from XRD lattice parameters.

  2. Biological X-ray absorption spectroscopy (BioXAS): a valuable tool for the study of trace elements in the life sciences.

    Science.gov (United States)

    Strange, Richard W; Feiters, Martin C

    2008-10-01

    Using X-ray absorption spectroscopy (XAS) the binding modes (type and number of ligands, distances and geometry) and oxidation states of metals and other trace elements in crystalline as well as non-crystalline samples can be revealed. The method may be applied to biological systems as a 'stand-alone' technique, but it is particularly powerful when used alongside other X-ray and spectroscopic techniques and computational approaches. In this review, we highlight how biological XAS is being used in concert with crystallography, spectroscopy and computational chemistry to study metalloproteins in crystals, and report recent applications on relatively rare trace elements utilised by living organisms and metals involved in neurodegenerative diseases.

  3. 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.

  4. Real-Time Observation of Platinum Redispersion on Ceria-Based Oxide by In-situ Turbo-XAS in Fluorescence Mode

    International Nuclear Information System (INIS)

    Nagai, Yasutaka; Dohmae, Kazuhiko; Tanabe, Toshitaka; Shinjoh, Hirofumi; Takagi, Nobuyuki; Ikeda, Yasuo; Guilera, Gemma; Pascarelli, Sakura; Newton, Mark; Matsumoto, Shin'ichi

    2007-01-01

    A real-time observation of the redispersion behavior of sintered Pt on ceria-based oxide was made possible by in-situ time-resolved Turbo-XAS in fluorescence mode. 2 wt% Pt/Ce-Zr-Y mixed oxide samples were prepared, and then treated under an aging condition. The average Pt particle size measured by CO absorption method after aging was 7 nm. Redispersion treatments of the previously aged catalyst were carried out at 600 deg. C within an in-situ XAS cell in a cyclical flow of reducing/oxidizing gases. Pt L3-edge XANES spectra were collected every 1.1 second under in-situ conditions. From a change in the XANES spectra, we observed that the Pt particle size of the aged catalyst decreased from 7 to 5 nm after 60 seconds and then to 3 nm after 1000 seconds

  5. XAS and XRF investigation of an actual HAWC glass fragment obtained from the Karlsruhe vitrification plant (VEK)

    Science.gov (United States)

    Dardenne, K.; González-Robles, E.; Rothe, J.; Müller, N.; Christill, G.; Lemmer, D.; Praetorius, R.; Kienzler, B.; Metz, V.; Roth, G.; Geckeis, H.

    2015-05-01

    Several sections of HAWC glass rods remaining at the end of glass pouring at the Karlsruhe Vitrification Plant (VEK) were retained during vitrification operation in 2009-2010 and transferred to the KIT-INE shielded box line for later glass product characterization. A mm sized fragment with a contact dose rate of ∼590 μSv/h was selected for pilot XAS/XRF investigations at the INE-Beamline for actinide science at the ANKA synchrotron radiation source. The experiment was aimed at elucidating the potential of direct radionuclide speciation with an emphasis on the fission products Se and Tc in highly active nuclear materials and at assessing the possible influence of the γ-radiation field surrounding highly active samples on the beamline instrumentation. While the influence of γ-radiation turned out to be negligible, initial radionuclide speciation studies by XAFS were most promising. In addition to Se and Tc speciation, the focus of these initial investigations was on the possibility for direct actinide speciation by recording corresponding L3-edge XAFS data. The registration of high quality XANES data was possible for the actinide elements U, Np, Pu and Am, as well as for Zr.

  6. Direct measurement of DX-centre related lattice relaxations in Al$_{x}$Ga$_{1-x}$As compounds

    CERN Multimedia

    2002-01-01

    Donor impurities from elements of group IV and VI form localized electronic states, so-called DX-centers, in AlGaAs and other semiconductors. One of the well known effects related to DX-centers is the persistent photoconductivity. In spite of extensive studies, the microscopic structure of the DX-center is still a matter of controversy. The direct determination of the donor lattice sites and their microscopical surrounding is a crucial point in understanding the relation of microscopic structure to the localized electronic state of the DX-center.\\\\ It is proposed to implant radioactive group VI elements $^{73}$Se (from $^{73}$Br) and $^{118}$Te (from $^{118}$Xe) into Al$_{x}$Ga$_{1-x}$As of different mole fractions ${x}$ and to determine (i) the lattice site of Te and Se impurities by emission channeling of decay positrons and electrons (ii) the local structure of Se impurities using the perturbed $\\gamma$-$\\gamma$-angular correlation technique (PAC). The appearance of the DX-center shall be check...

  7. Effect of Molecular Guest Binding on the d-d Transitions of Ni2+ of CPO-27-Ni: A Combined UV-Vis, Resonant-Valence-to-Core X-ray Emission Spectroscopy, and Theoretical Study.

    Science.gov (United States)

    Gallo, Erik; Gorelov, Evgeny; Guda, Alexander A; Bugaev, Aram L; Bonino, Francesca; Borfecchia, Elisa; Ricchiardi, Gabriele; Gianolio, Diego; Chavan, Sachin; Lamberti, Carlo

    2017-12-04

    We used Ni K-edge resonant-valence-to-core X-ray emission spectroscopy (RVtC-XES, also referred to as direct RIXS), an element-selective bulk-sensitive synchrotron-based technique, to investigate the electronic structure of the CPO-27-Ni metal-organic framework (MOF) upon molecular adsorption of significant molecular probes: H 2 O, CO, H 2 S, and NO. We compare RVtC-XES with UV-vis spectroscopy, and we show that the element selectivity of RVtC-XES is of strategic significance to observe the full set of d-d excitations in Ni 2+ , which are partially overshadowed by the low-energy π-π* transitions of the Ni ligands in standard diffuse-reflectance UV-vis experiments. Our combined RVtC-XES/UV-vis approach provides access to the whole set of d-d excitations, allowing us a complete discussion of the changes undergone by the electronic configuration of the Ni 2+ sites hosted within the MOF upon molecular adsorption. The experimental data have been interpreted by multiplet ligand-field theory calculations based on Wannier orbitals. This study represents a step further in understanding the ability of the CPO-27-Ni MOFs in molecular sorption and separation applications.

  8. Structural, electronic structure, and band alignment properties at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction evaluated from synchrotron based X-ray techniques

    Energy Technology Data Exchange (ETDEWEB)

    Singh, S. D., E-mail: devsh@rrcat.gov.in; Das, Arijeet; Ajimsha, R. S.; Upadhyay, Anuj; Kamparath, Rajiv; Mukherjee, C.; Misra, P.; Rai, S. K.; Sinha, A. K.; Ganguli, Tapas [Raja Ramanna Centre for Advanced Technology, Indore, Madhya Pradesh 452013 (India); Nand, Mangla; Jha, S. N. [Bhabha Atomic Research Centre, Mumbai, Maharashtra 400085 (India); Shukla, D. K.; Phase, D. M. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore, Madhya Pradesh 452017 (India)

    2016-04-28

    The valence band offset value of 2.3 ± 0.2 eV at epitaxial NiO/Al{sub 2}O{sub 3} heterojunction is determined from photoelectron spectroscopy experiments. Pulsed laser deposited thin film of NiO on Al{sub 2}O{sub 3} substrate is epitaxially grown along [111] direction with two domain structures, which are in-plane rotated by 60° with respect to each other. Observation of Pendellosung oscillations around Bragg peak confirms high interfacial and crystalline quality of NiO layer deposited on Al{sub 2}O{sub 3} substrate. Surface related feature in Ni 2p{sub 3/2} core level spectra along with oxygen K-edge soft X-ray absorption spectroscopy results indicates that the initial growth of NiO on Al{sub 2}O{sub 3} substrate is in the form of islands, which merge to form NiO layer for the larger coverage. The value of conduction band offset is also evaluated from the measured values of band gaps of NiO and Al{sub 2}O{sub 3} layers. A type-I band alignment at NiO and Al{sub 2}O{sub 3} heterojunction is also obtained. The determined values of band offsets can be useful in heterojunction based light emitting devices.

  9. Ni hombres ni mujeres providenciales

    OpenAIRE

    Montaño Virreira, Sonia

    2000-01-01

    Debo advertir a la y el lector de este texto que lo que a continuación se presenta no es, ni de lejos, una propuesta realista, si por ella entendemos la traducción, enclave mujer, de las actuales tendencias de liderazgo político vigentes en la región. Por el contrario, intento argumentaren favor de un liderazgo que supere el caudillismo como estilo y se aproxime al máximo hacia el respeto de las formas, entendiendo que sin ellas no es posible construir la democracia. Para hacerlo reviso rápid...

  10. 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

  11. Solid-Phase Fe Speciation along the Vertical Redox Gradients in Floodplains using XAS and Mössbauer Spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Chunmei [Department; Kukkadapu, Ravi K. [Environmental; Lazareva, Olesya [Department; Sparks, Donald L. [Department

    2017-06-30

    Properties of Fe minerals are poorly understood in natural soils and sediments with variable redox conditions. In this study, we combined 57Fe Mössbauer and Fe K-edge X-ray absorption spectroscopic techniques to assess solid-phase Fe speciation along the vertical redox gradients of floodplain profiles, which exhibited a succession of oxic, anoxic and suboxic-oxic zones with increasing depth along the vertical profiles. The anoxic conditions at the intermediate horizon (55-80 cm) of the eastern floodplain resulted in extensive depletion of Fe(III)-oxides including both ferrihydrite and goethite, concurrent with a corresponding reduction of phyllosilicates(PS)-Fe(III) to PS-Fe(II). In addition, the anoxic conditions increased the crystallinity of Fe(III)-oxides in this reduced zone, relative to the oxic zones. In the most reduced intermediate sediments at 80-120cm of the western floodplain, the anoxic conditions drove the complete reductive dissolution of Fe(III) oxides, as well as the greatest reduction (48-55%) in PS-Fe(III). In both oxic near-surface horizon and oxic-suboxic gravel aquifers beneath the soil horizons, Fe(III)-oxides were mainly present as ferrihydrite with a less amount of goethite, which preferentially occurred as nanogoethite or Al/Si-substituted goethite. Ferrihydrite with varying crystallinity or impurities such as organic matter, Al or Si, persisted under suboxic-oxic conditions in the floodplain. This study indicates that vertical redox gradients exert a major control on the quantity and speciation of Fe(III) oxides as well as the oxidation state of structural Fe in PS, which could significantly affect nutrient cycling and carbon (de)stabilization.

  12. A new high temperature reactor for operando XAS: Application for the dry reforming of methane over Ni/ZrO2 catalyst

    KAUST Repository

    Aguilar Tapia, Antonio; Ould-Chikh, Samy; Lahera, Eric; Prat, Alain; Delnet, William; Proux, Olivier; Kieffer, Isabelle; Basset, Jean-Marie; Takanabe, Kazuhiro; Hazemann, Jean-Louis

    2018-01-01

    The construction of a high-temperature reaction cell for operando X-ray absorption spectroscopy characterization is reported. A dedicated cell was designed to operate as a plug-flow reactor using powder samples requiring gas flow and thermal

  13. Automatic reduction of large X-ray fluorescence data-sets applied to XAS and mapping experiments

    International Nuclear Information System (INIS)

    Martin Montoya, Ligia Andrea

    2017-02-01

    In this thesis two automatic methods for the reduction of large fluorescence data sets are presented. The first method is proposed in the framework of BioXAS experiments. The challenge of this experiment is to deal with samples in ultra dilute concentrations where the signal-to-background ratio is low. The experiment is performed in fluorescence mode X-ray absorption spectroscopy with a 100 pixel high-purity Ge detector. The first step consists on reducing 100 fluorescence spectra into one. In this step, outliers are identified by means of the shot noise. Furthermore, a fitting routine which model includes Gaussian functions for the fluorescence lines and exponentially modified Gaussian (EMG) functions for the scattering lines (with long tails at lower energies) is proposed to extract the line of interest from the fluorescence spectrum. Additionally, the fitting model has an EMG function for each scattering line (elastic and inelastic) at incident energies where they start to be discerned. At these energies, the data reduction is done per detector column to include the angular dependence of scattering. In the second part of this thesis, an automatic method for texts separation on palimpsests is presented. Scanning X-ray fluorescence is performed on the parchment, where a spectrum per scanned point is collected. Within this method, each spectrum is treated as a vector forming a basis which is to be transformed so that the basis vectors are the spectra of each ink. Principal Component Analysis is employed as an initial guess of the seek basis. This basis is further transformed by means of an optimization routine that maximizes the contrast and minimizes the non-negative entries in the spectra. The method is tested on original and self made palimpsests.

  14. Orbital-Specific observation of O2p and Ni3d electrons in LiNi0.5Mn0.5O2, a cathode material for lithium-ion batteries

    Directory of Open Access Journals (Sweden)

    Yoshinori Satou

    2017-09-01

    Full Text Available Cathode materials for lithium-ion batteries containing Ni2+ have attracted much interest because of their high theoretical capacity. However, the precise electronic structures of these cathode materials have not yet been clearly observed, especially the energy positions of the O2p and Ni3d orbitals and the shape of the density of states. The aim of this study was to investigate the relative energy positions and shape of the density of states of O2p and Ni3d for LiNi0.5Mn0.5O2 experimentally. We cleaved a LiNi0.5Mn0.5O2 pellet in an Ar-filled glove box and performed synchrotron ultraviolet photoelectron spectroscopy for different photon energies, which enabled us to investigate the relative cross-section intensity of O2p and Ni3d. As a result, the valence-band structure was determined. We found that O2p electrons are itinerant and exist in the vicinity of the Fermi energy more than Ni3d electrons. Ni3d electrons are more localized and spread mainly from 1.2–1.5 eV below the Fermi energy. To validate the electronic structure, we measured the synchrotron O K-edge X-ray absorption fine structure of electrochemically lithium-extracted LiNi0.5Mn0.5O2. The electronic structure demonstrated that ligand holes in the oxygen atoms form below the Fermi level during the initial stage of Li extraction and that the formation rate of the holes decreases with Li extraction.

  15. Orbital-Specific observation of O2p and Ni3d electrons in LiNi0.5Mn0.5O2, a cathode material for lithium-ion batteries

    Science.gov (United States)

    Satou, Yoshinori; Komine, Shigeki; Shimizu, Sumera

    2017-09-01

    Cathode materials for lithium-ion batteries containing Ni2+ have attracted much interest because of their high theoretical capacity. However, the precise electronic structures of these cathode materials have not yet been clearly observed, especially the energy positions of the O2p and Ni3d orbitals and the shape of the density of states. The aim of this study was to investigate the relative energy positions and shape of the density of states of O2p and Ni3d for LiNi0.5Mn0.5O2 experimentally. We cleaved a LiNi0.5Mn0.5O2 pellet in an Ar-filled glove box and performed synchrotron ultraviolet photoelectron spectroscopy for different photon energies, which enabled us to investigate the relative cross-section intensity of O2p and Ni3d. As a result, the valence-band structure was determined. We found that O2p electrons are itinerant and exist in the vicinity of the Fermi energy more than Ni3d electrons. Ni3d electrons are more localized and spread mainly from 1.2-1.5 eV below the Fermi energy. To validate the electronic structure, we measured the synchrotron O K-edge X-ray absorption fine structure of electrochemically lithium-extracted LiNi0.5Mn0.5O2. The electronic structure demonstrated that ligand holes in the oxygen atoms form below the Fermi level during the initial stage of Li extraction and that the formation rate of the holes decreases with Li extraction.

  16. Inelastic scattering at the B K edge of hexagonal BN

    Energy Technology Data Exchange (ETDEWEB)

    Jia, J.J.; Callcott, T.A.; Zhou, L. [Univ. of Tennessee, Knoxville, TN (United States)] [and others

    1997-04-01

    Many recent soft x-ray fluorescence (SXF) studies have shown that inelastic scattering processes make important contributions to the observed spectra for excitation near the x-ray threshold. These effects are all attributed to a process, usually called an electronic Raman scattering (ERS) process, in which energy is lost to an electronic excitation. The theory has been described using second order perturbation theory by Tulkki and Aberg. In different materials, the detailed nature of the electronic excitation producing the energy loss may be very different. In crystalline Si, diamond and graphite, changes in spectral shape and dispersion of spectral features with variation of the excitation energy are observed, which are attributed to k conservation between the photoelectron generated in the excitation process and the valence hole remaining after the coupled emission process. Hence the process is strongly localized in k-space. In haxagonal boron nitride, which has a lattice and band structure very similar to graphite, inelastic scattering produces very different effects on the observed spectra. Here, the inelastic losses are coupled to a strong resonant elastic scattering process, in which the intermediate state is a localized core exciton and the final state is a localized valence exciton, so that the electronic excitation is strongly localized in real rather than reciprocal space.

  17. F K-edge soft X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Sugimura, Tetsuro; Kawai, Jun; Maeda, Kuniko; Fukushima, Akiko; Shin, S.; Motoyama, Muneyuki; Nakajima Tsuyoshi

    2001-01-01

    We measured F X-ray absorption spectra of various fluorine compounds using a synchrotron radiation at KEK-PF. The absorption spectra were measured using X-ray fluorescence yield (XFY) and total electron yield (TEY) methods. Change of the spectral shape has a relation to the metal-fluorine bond distance. By comparing with the experimental spectrum and calculated spectrum, F 2p state density is divined into up and down states. (author)

  18. Double-electron excitation above Xe K-edge

    International Nuclear Information System (INIS)

    Ito, Y.; Tochio, T.; Vlaicu, A.M.; Mutaguchi, K.; OhHashi, H.; Shigeoka, N.; Nakata, Y.; Akahama, Y.; Uruga, T.; Emura, Sh.

    2000-01-01

    When X-rays fall on any substance, whether solid, liquid, or gaseous, a photoabsorption occurs. Photoabsorption in atoms has been generally treated as a single-electron excitation process. However, the existence of the multi-electron excitation process, where the removal of a core electron by photoabsorption causes excitation of additional electrons in the same atoms, has been known in x-ray absorption spectra for a long time. In x-ray absorption spectra, experimental investigations of the shake processes in inner-shell ionization phenomena have been performed by detecting discontinuities. The shake effect which is a consequence of rearrangement of the atomic electrons, occurs in association with inner-shell excitation and ionization phenomena in x-ray absorption. The shake process has been studied extensively in various gases, because it is usually considered that the measurement of the multi-electron excitation is only possible for monatomic gases or vapors. The x-ray absorption spectra in Kr gas were measured by Ito et al. in order to observe precisely x-ray absorption spectra and to investigate the multi-electron excitation cross sections in Kr as a function of photon energy using synchrotron radiation. However, no suitable measured K x-ray absorption spectra was available to elucidate the shake processes. In the present work, the photoabsorption cross sections in Xe have been precisely measured in order to determine the features on the shake processes resulting from multiple electron excitations as a function of photon energy. Double-electron transitions of [1s4d], [1s4p], [1s4s], and [1s3d] are first detected. (author)

  19. Auger recombination in p-type InAs and in Gasub(x)Insub(1-x)As solid solutions

    International Nuclear Information System (INIS)

    Zotova, N.V.; Yassievich, I.N.

    1977-01-01

    The probability of the Auger recombination in p-type semiconductors, which is accompanied by transition of the second hole into the zone, splitted by spin-orbital interaction, was calculated. The above process is effective when the energy of spin-orbital splitting off Δ is close to the forbidden zone energy Esub(g), which takes place in the case of InAs, GaSb and solid solutions based on these compounds. The calculation is performed for the non-degenerate hole gas at a finite difference of Esub(g) - Δ. By means of the study of radiative recombination in InAs and Gasub(x)Insub(1-x)As solid solutions with small contents of GaAs (0 17 cm -3 . It is found that the quantum yield of radiative recombination increases sharply in Gasub(x)Insub(1-x)As solid solutions with the increase of x, which is associated with the increase of the difference of Esub(g) - Δ; the radiative recombination intensity increases in correspondence with the theoretical calculation made

  20. Hydrostatic-pressure-induced GAMMA-X mixing in delta-doped Al{sub x}Ga{sub 1-x}As

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Ramos, M E [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, CP 62209 Cuernavaca, MOR. (Mexico); Duque, C A, E-mail: memora@buzon.uaem.m [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia)

    2009-05-01

    The mixing between GAMMA and X points in the conduction band is known to manifest in GaAs/Al{sub x}Ga{sub 1-x}As heterostructures. Application of hydrostatic pressure leads to the variation of both the GAMMA- and X-energy gaps in such a way that around P = 39 kbar, the GaAs becomes an indirect gap one. Within a narrow interval of P around this value, both minima remain almost energetically aligned. Therefore, it can be expected that some kind of mixing between the states corresponding to the delta-quantum-wells formed at those points should manifest. In this work, we investigate the occurrence of GAMMA-X mixing induced by the application of hydrostatic pressure in n-type delta doped Al{sub x}Ga{sub 1-x}As, by means of a variational scheme that uses a 2x2 Hamiltonian with the off-diagonal element being a variational potential energy. Diagonal Schroedinger-like effective mass elements are written with potential functions given by the Thomas-Fermi approximation. The effect of the hydrostatic pressure is incorporated via the dependence on P of the different input parameters in the system: energy gaps, effective masses and dielectric constant. We report the variation of the ground state of the system as a function of P.

  1. Mechanistic insights into the interaction between energetic oxygen ions and nanosized ZnFe2O4: XAS-XMCD investigations.

    Science.gov (United States)

    Singh, Jitendra Pal; Kaur, Baljeet; Sharma, Aditya; Kim, So Hee; Gautam, Sanjeev; Srivastava, Ramesh Chandra; Goyal, Navdeep; Lim, Weol Cheol; Lin, H-J; Chen, J M; Asokan, K; Kanjilal, D; Won, Sung Ok; Lee, Ik-Jae; Chae, Keun Hwa

    2018-04-20

    The interactions of energetic ions with multi-cation compounds and their consequences in terms of changes in the local electronic structure, which may facilitate intriguing hybridization between O 2p and metal d orbitals and magnetic ordering, are the subject of debate and require a deep understanding of energy transfer processes and magnetic exchange mechanisms. In this study, nanocrystals of ZnFe2O4 were exposed to O7+ ions with an energy of 100 MeV to understand, qualitatively and quantitatively, the metal-ligand field interactions, cation migration and magnetic exchange interactions by employing X-ray absorption fine structure measurements and X-ray magnetic circular dichroism to get deeper mechanistic insights. Nanosized zinc ferrite nanoparticles (NPs) with a size of ∼16 nm synthesized in the cubic spinel phase exhibited deterioration of the crystalline phase when 100 MeV O7+ ions passed through them. However, the size of these NPs remained almost the same. The behaviour of crystal deterioration is associated with the confinement of heat in this interaction. The energy confined inside the nanoparticles promotes cation redistribution as well as the modification of the local electronic structure. Prior to this interaction, almost 42% of Zn2+ ions occupied AO4 tetrahedra; however, this value increased to 63% after the interaction. An inverse effect was observed for metal ion occupancies in BO6 octahedra. The L-edge spectra of Fe and Zn reveal that the spin and valence states of the metal ions were not affected by this interaction. This effect is also supported by K-edge measurements for Fe and Zn. The t2g/eg intensity ratio in the O K-edge spectra decreased after this interaction, which is associated with detachment of Zn2+ ions from the lattice. The extent of hybridization, as estimated from the ratio of the post-edge to the pre-edge region of the O K-edge spectra, decreased after this interaction. The metal-oxygen and metal-metal bond lengths were modified

  2. Combined XRD and XAS

    International Nuclear Information System (INIS)

    Ehrlich, S.N.; Hanson, J.C.; Lopez Camara, A.; Barrio, L.; Estrella, M.; Zhou, G.; Si, R.; Khalid, S.; Wang, Q.

    2011-01-01

    X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS) are complementary techniques for investigating the structure of materials. XRD probes long range order and XAFS probes short range order. We have combined the two techniques at one synchrotron beamline, X18A at the NSLS, allowing samples to be studied in a single experiment. This beamline will allow for coordinated measurements of local and long range structural changes in chemical transformations and phase transitions using both techniques.

  3. Structural Transformations in High-Capacity Li 2 Cu 0.5 Ni 0.5 O 2 Cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Ruther, Rose; Pandian, Amaresh S.; Yan, Pengfei; Weker, Johanna N.; Wang, Chongmin; Nanda, Jagjit

    2017-03-21

    Cathode materials that can cycle > 1 Li+ per transition metal are of substantial interest to increase the overall energy density of lithium-ion batteries. Li2Cu0.5Ni0.5O2 has a very high theoretical capacity of ~ 500 mAh/g assuming both Li+ are cycled reversibly. The Cu2+/3+ and Ni2+/3+/4+ redox couples are also at high voltage, which could further boost the energy density of this system. Despite such promise, Li2Cu0.5Ni0.5O2 undergoes irreversible phase changes during charge (delithiation) that result in large first-cycle irreversible loss and poor long-term cycling stability. Oxygen is evolved before the Cu2+/3+ or Ni3+/4+ transitions are accessed. In this contribution, XRD, TEM, and TXM-XANES are used to follow the chemical and structural changes that occur in Li2Cu0.5Ni0.5O2 during electrochemical cycling. Li2Cu0.5Ni0.5O2 is a solid solution of orthorhombic Li2CuO2 and Li2NiO2, but the structural changes more closely mimic the Li2NiO2 endmember. Li2Cu0.5Ni0.5O2 loses long-range order during charge, but TEM analysis provides clear evidence for particle exfoliation and the transformation from orthorhombic to a partially layered structure. Linear combination fitting and principal component analysis of TXM-XANES are used to map the different phases that emerge during cycling ex situ and in situ. Significant changes in the XANES at the Cu and Ni K-edges correlate with the onset of oxygen evolution.

  4. Structural evidence for the sorption of Ni(II) atoms on the edges of montmorillonite clay minerals: a polarized X-ray absorption fine structure study

    Science.gov (United States)

    Dähn, Rainer; Scheidegger, André M.; Manceau, Alain; Schlegel, Michel L.; Baeyens, Bart; Bradbury, Michael H.; Chateigner, Daniel

    The nature of surface complexes formed on Ni uptake onto montmorillonite (a dioctahedral smectite) has been investigated over an extended time period by polarized extended X-ray absorption fine structure (P-EXAFS) spectroscopy. Self-supporting films of Ni-sorbed montmorillonite were prepared by contacting Ni and montmorillonite at pH 7.2, high ionic strength (0.3 M NaClO 4), and low Ni concentration ([Ni] initial = 19.9 μM) for 14- and 360-d reaction time. The resulting Ni concentration on the clay varied from 4 to 7 μmol/g. Quantitative texture analysis indicates that the montmorillonite particles were well orientated with respect to the plane of the film. The full width at half maximum of the orientation distribution of the c* axes of individual clay platelets about the normal to the film plane was 44.3° (14-d reaction time) and 47.1° (360-d reaction time). These values were used to correct the coordination numbers determined by P-EXAFS for texture effects. Ni K-edge P-EXAFS spectra were recorded at angles between the incident beam and the film normal equal to 10, 35, 55, and 80°. Spectral analysis led to the identification of three nearest cationic subshells containing 2.0 ± 0.5 Al at 3.0 Å and 2.0 ± 0.5 Si at 3.12 Å and 4.0 ± 0.5 Si at 3.26 Å. These distances are characteristic of edge-sharing linkages between Al and Ni octahedra and of corner-sharing linkages between Ni octahedra and Si tetrahedra, as in clay structures. The angular dependence of the Ni-Al and Ni-Si contributions indicates that Ni-Al pairs are oriented parallel to the film plane, whereas Ni-Si pairs are not. The study reveals the formation of Ni inner-sphere mononuclear surface complexes located at the edges of montmorillonite platelets and thus that heavy metals binding to edge sites is a possible sorption mechanism for dioctahedral smectites. Data analysis further suggests that either the number of neighboring Al atoms slightly increases from 1.6 to 2 or that the structural order

  5. The electronic structure and magnetic interactions in the mixed transition-metal oxide La(Co,Ni)O{sub 3} studied by X-ray absorption spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Meng-Jie

    2016-11-11

    Transition-metal oxides have attracted a lot of attention because they exhibit a variety of intriguing physical properties. Among the transition-metal oxides, LaCoO{sub 3} is a very special compound which shows different spin states and spin-state transitions. Further, the physical properties can be controlled by changing temperature, replacement of rare-earth element, electron- or hole-doping, or by applying strain. The ground state of LaCoO{sub 3} is a non-magnetic insulator because the lowest energy configuration is t{sub 2g}{sup 6}e{sub g}{sup 0} (S = 0). However, the partial substitution of Co by Ni in La(Co,Ni)O{sub 3} (LCNO) will induce a ferromagnetic behavior. A number of models have been proposed for explaining the nature of the magnetic behavior in the past decades, but it is still a puzzle. In order to understand the origin of the ferromagnetism in La(Co,Ni)O{sub 3}, I have studied the electronic structure and magnetic interaction in this compound in a very direct way: by using X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD) along with multiplet simulations. Samples were synthesized by the sol-gel method and structurally and magnetically characterized by XRD and SQUID. XAS clearly indicates a mixed-valence state for both Co and Ni, with both valences increasing monotonously with Ni content, x. While the gradual spin-state transition of Co{sup 3+} from low-spin (LS) to high-spin (HS) is preserved for low x it is suppressed in the high Ni-content samples. Regarding the spin configuration of Ni we find it stabilized in a ''mixed'' spin state, unlike the purely LS state of Ni in LaNiO{sub 3}. XMCD identifies the element-specific contributions to the magnetic moment and interactions. In particular, we find that it must be the coexistence of the HS state in both Co{sup 3+} and Ni{sup 3+} that induces t{sub 2g}-based ferromagnetic interaction via a ''double-exchange-like'' mechanism. Other species

  6. Comparison of radiative and structural properties of 1.3 µm InxGa(1-x)As quantum-dot laser structures grown by metalorganic chemical vapor deposition and molecular-beam epitaxy: Effect on the lasing properties

    NARCIS (Netherlands)

    Passaseo, A.; Vittorio, de M.; Todaro, M.T.; Tarantini, I.; Giorgi, de M.; Cingolani, R.; Taurino, A.; Catalano, M.; Fiore, A.; Markus, A.; Chen, J.X.; Paranthoën, C.; Oesterle, U.; Ilegems, M.

    2003-01-01

    The authors have studied the radiative and structural properties of identical InxGa(1-x)As quantum dot laser structures grown by metalorg. CVD (MOCVD) and MBE. Despite the comparable emission properties found in the two devices by photoluminescence, electroluminescence, and photocurrent

  7. Bisamidate and Mixed Amine/Amidate NiN2S2 Complexes as Models for Nickel-Containing Acetyl Coenzyme A Synthase and Superoxide Dismutase: An Experimental and Computational Study

    International Nuclear Information System (INIS)

    Mathrubootham, V.; Thomas, J.; Staples, R.; McCraken, J.; Shearer, J.; Hegg, E.

    2010-01-01

    The distal nickel site of acetyl-CoA synthase (Ni d -ACS) and reduced nickel superoxide dismutase (Ni-SOD) display similar square-planar Ni II N 2 S 2 coordination environments. One difference between these two sites, however, is that the nickel ion in Ni-SOD contains a mixed amine/amidate coordination motif while the Ni d site in Ni-ACS contains a bisamidate coordination motif. To provide insight into the consequences of the different coordination environments on the properties of the Ni ions, we systematically examined two square-planar Ni II N 2 S 2 complexes, one with bisthiolate-bisamidate ligation (Et 4 N) 2 (Ni(L1))·2H 2 O (2) (H 4 L1 = N-(2-mercaptoacetyl)-N(prime)-(2-mercaptoethyl)glycinamide) and another with bisthiolate-amine/amidate ligation K(Ni(HL2)) (3) (H 4 L2 = N-(2(double p rime)-mercaptoethyl)-2- ((2(prime)-mercaptoethyl)amino)acetamide). Although these two complexes differ only by a single amine versus amidate ligand, their chemical properties are quite different. The stronger in-plane ligand field in the bisamidate complex (Ni II (L1)) 2- (2) results in an increase in the energies of the d → d transitions and a considerably more negative oxidation potential. Furthermore, while the bisamidate complex (Ni II (L1)) 2- (2) readily forms a trinuclear species (Et 4 N) 2 ({Ni(L1)} 2 Ni)·H 2 O (1) and reacts rapidly with O 2 , presumably via sulfoxidation, the mixed amine/amidate complex (Ni II (HL2)) - (3) remains monomeric and is stable for days in air. Interestingly, the Ni III species of the bisamidate complex formed by chemical oxidation with I 2 can be detected by electron paramagnetic resonance (EPR) spectroscopy while the mixed amine/amidate complex immediately decomposes upon oxidation. To explain these experimentally observed properties, we performed S K-edge X-ray absorption spectroscopy and low-temperature (77 K) electronic absorption measurements as well as both hybrid density functional theory (hybrid-DFT) and spectroscopy oriented

  8. Microscale mineralogical characterization of As, Fe, and Ni in uranium mine tailings

    Science.gov (United States)

    Essilfie-Dughan, Joseph; Hendry, M. Jim; Warner, Jeff; Kotzer, Tom

    2012-11-01

    Uranium (U) ores can contain high concentrations of elements of concern (EOCs), such as arsenic (As) and nickel (Ni) present in sulfide and arsenide minerals. The U in these ores is often solubilized by adding H2SO4 to attain a pH ∼1 under oxic conditions. This process releases some EOCs from the primary minerals into solution. The barren raffinate (solution remaining after U extraction) is subsequently neutralized with Ca(OH)2 to a terminal pH of ∼10.5, resulting in a reduction in the aqueous concentrations of the EOCs. These neutralized raffinates are mixed with the non-reacted primary minerals and discharged as tailing into tailings management facilities (TMFs). To aid in the accurate characterization and quantification of the mineralogical controls on the concentrations of EOCs in the tailings porewater, their spatial distribution and speciation were studied at the micron scale in tailings samples collected from the Deilmann U Tailings Management Facility (DTMF), northern Saskatchewan, Canada. Backscattered electron images of the tailings samples generated using an electron microprobe show the presence of nodules (10-200 μm size) surrounded by bright rims. Wavelength dispersive spectrometric (WDS) and synchrotron-based micro-X-ray fluorescence (μ-XRF) elemental mapping show that the nodules are dominated by Ca and S (as gypsum) and the bright rims are dominated by Fe, As, and Ni. Micro-X-ray absorption near-edge structure (μ-XANES) spectra collected within and near the rims indicate that the Fe and Ni are present mainly in the +3 and +2 oxidation states, respectively; for As, the +5 oxidation state dominates but significant amounts of the +3 oxidation state are present in some areas. Linear combination fit analyses of the K-edges for the Fe, As, and Ni μ-XANES spectra to reference compounds suggest the Fe in the rims is present as ferrihydrite with As and Ni are adsorbed to it. Energy dispersive spectrometric (EDS) data indicate that isolated, highly

  9. Photoluminescence measurements of the 1,55 eV band of Ge doped Al sub(x)Ga sub(1-x)As

    International Nuclear Information System (INIS)

    Furtado, M.T.; Weid, J.P. von der.

    1984-01-01

    The photoluminescence of the 1,55 eV band of Ge doped Al sub(x)Ga sub(1-x)As, with x=0.30-0.33, grown by liquid phase epitaxy is presented. The broad shape was found to be due to a lattice relaxation upon optical transitions. Resonant modes with (h/2π)ω sub(q) approx. 35 + - 2 meV and (h/2π) ω sub(q) approx. 45 + - 2 meV are found for the optical band, yielding a zero phonon transition energy - 1.73 + - 0.02 eV and a Franck-Condon shift approx. 0.17-0.20 eV for the optical center. The activation energy of thermal quenching yields an associated donnor binding energy of 0.17 + - 0.04 eV. Possible mechanisms for the radiative transitions are discussed. (Author) [pt

  10. Electrical conductivity studies in (Ag3AsS3)x(As2S3)1-x superionic glasses and composites

    Science.gov (United States)

    Studenyak, I. P.; Neimet, Yu. Yu.; Kranjčec, M.; Solomon, A. M.; Orliukas, A. F.; Kežionis, A.; Kazakevičius, E.; Šalkus, T.

    2014-01-01

    Compositional, frequency, and temperature studies of impedance and electrical conductivity in (Ag3AsS3)x(As2S3)1-x superionic glasses and composites were performed. Frequency range from 10 Hz to 3 × 109 Hz and temperature interval 300-400 K were used for the measurements. Compositional dependences of electrical conductivity and activation energy are analyzed; the most substantial changes are observed with the transition from (Ag3AsS3)0.4(As2S3)0.6 glass to (Ag3AsS3)0.5(As2S3)0.5 composite. With increase of Ag3AsS3 content, the investigated materials are found to have crystalline inclusions and show the two-phase composite nature. Addition of Ag3AsS3 leads to the increase of electrical conductivity whereas the activation energy decreases.

  11. Photoluminescence energy transitions in GaAs-Ga{sub 1-x}Al{sub x}As double quantum wells: Electric and magnetic fields and hydrostatic pressure effects

    Energy Technology Data Exchange (ETDEWEB)

    Lopez, S.Y. [Grupo de Educacion en Ciencias Experimentales y Matematicas-GECEM, Facultad de Educacion, Universidad de Antioquia, AA 1226 Medellin (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico); Duque, C.A., E-mail: cduque@fisica.udea.edu.c [Instituto de Fisica, Universidad de Antioquia, AA 1226 Medellin (Colombia)

    2009-12-15

    The photoluminescence energy transitions in GaAs-Ga{sub 1-x}Al{sub x}As coupled double quantum wells are presented by considering the simultaneous effects of applied electric and magnetic fields and hydrostatic pressure. Calculations have been made in the framework of the effective mass and parabolic band approximations and using a variational procedure. The electric field is taken to be oriented along the growth direction of the heterostructure whereas for the magnetic field both in-plane and in-growth directions have been considered. The results show that the hydrostatic pressure and the applied electric field are two useful tools to tune the direct and indirect exciton transitions in such heterostructures. Our results are in good agreement with previous experimental findings in double quantum wells under applied electric field and hydrostatic pressure.

  12. First-principles calculations of the structural, electronic and optical properties of cubic B{sub x}Ga{sub 1-x}As alloys

    Energy Technology Data Exchange (ETDEWEB)

    Guemou, M., E-mail: guemoumhamed7@gmail.com [Engineering Physics Laboratory, University Ibn Khaldoun of Tiaret, BP 78-Zaaroura, Tiaret 14000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Abdiche, A. [Applied Materials Laboratory, Research Center, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modelisation Mathematique (LPQ3M), Departement de Technologie, Universite de Mascara, 29000 Mascara (Algeria); Al Douri, Y. [Institute of Nano Electronic Engineering, Universiti Malaysia Perlis, Perlis (Malaysia); Bin Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia)

    2012-04-15

    Density functional calculations are performed to study the structural, electronic and optical properties of technologically important B{sub x}Ga{sub 1-x}As ternary alloys. The calculations are based on the total-energy calculations within the full-potential augmented plane-wave (FP-LAPW) method. For exchange-correlation potential, local density approximation (LDA) and the generalized gradient approximation (GGA) have been used. The structural properties, including lattice constants, bulk modulus and their pressure derivatives, are in very good agreement with the available experimental and theoretical data. The electronic band structure, density of states for the binary compounds and their ternary alloys are given. The dielectric function and the refractive index are also calculated using different models. The obtained results compare very well with previous calculations and experimental measurements.

  13. Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Mossin, Susanne; Ståhl, Kenny

    2014-01-01

    Using synchrotron radiation (SR), the crystal structures of T6 bovine insulin complexed with Ni2+ and Cu2+ were solved to 1.50 and 1.45 Å resolution, respectively. The level of detail around the metal centres in these structures was highly limited, and the coordination of water in Cu site II...... of the copper insulin derivative was deteriorated as a consequence of radiation damage. To provide more detail, X-ray absorption spectroscopy (XAS) was used to improve the information level about metal coordination in each derivative. The nickel derivative contains hexacoordinated Ni2+ with trigonal symmetry...... by electron paramagnetic resonance (EPR). The coordination distances were refined from EXAFS with standard deviations within 0.01 Å. The insulin derivative containing Cu2+ is sensitive towards photoreduction when exposed to SR. During the reduction of Cu2+ to Cu+, the coordination geometry of copper changes...

  14. Ultrafine and highly disordered Ni 2 Fe 1 nanofoams enabled highly efficient oxygen evolution reaction in alkaline electrolyte

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Shaofang; Song, Junhua; Zhu, Chengzhou; Xu, Gui-Liang; Amine, Khalil; Sun, Chengjun; Li, Xiaolin; Engelhard, Mark H.; Du, Dan; Lin, Yuehe

    2018-02-01

    Nickel iron hydroxides are the most promising non-noble electrocatalysts for oxygen evolution reaction (OER) in alkaline media. By in situ reduction of metal precursors, compositionally controlled three-dimensional (3D) NixFeyB nanofoams (NFs) are synthesized with high surface area and uniformly distributed bimetallic networks. The resultant ultrafine amorphous Ni2Fe1B NFs exhibit extraordinary electrocatalytic performance toward OER and overall water splitting in alkaline media. At a potential as low as 1.42 V (vs. RHE), Ni2Fe1B NFs can deliver a current density of 10 mA/cm2 and show negligible activity loss after 12 hours’ stability test. Even at large current flux of 100 mA/cm2, an ultralow overpotential of 0.27 V is achieved, which is about 0.18 V more negative than benchmark RuO2. Both ex-situ Mӧssbauer spectroscopy and X-ray Absorption Spectroscopy (XAS) reveal a phase separation and transformation for the Ni2Fe1B catalyst during OER process. The evolution of oxidation state and disordered structure of Ni2Fe1B might be a key to the high catalytic performance for OER.

  15. Identification of the iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis.

    Science.gov (United States)

    Boubnov, Alexey; Lichtenberg, Henning; Mangold, Stefan; Grunwaldt, Jan Dierk

    2015-03-01

    Analysis of the oxidation state and coordination geometry using pre-edge analysis is attractive for heterogeneous catalysis and materials science, especially for in situ and time-resolved studies or highly diluted systems. In the present study, focus is laid on iron-based catalysts. First a systematic investigation of the pre-edge region of the Fe K-edge using staurolite, FePO4, FeO and α-Fe2O3 as reference compounds for tetrahedral Fe(2+), tetrahedral Fe(3+), octahedral Fe(2+) and octahedral Fe(3+), respectively, is reported. In particular, high-resolution and conventional X-ray absorption spectra are compared, considering that in heterogeneous catalysis and material science a compromise between high-quality spectroscopic data acquisition and simultaneous analysis of functional properties is required. Results, which were obtained from reference spectra acquired with different resolution and quality, demonstrate that this analysis is also applicable to conventionally recorded pre-edge data. For this purpose, subtraction of the edge onset is preferentially carried out using an arctangent and a first-degree polynomial, independent of the resolution and quality of the data. For both standard and high-resolution data, multiplet analysis of pre-edge features has limitations due to weak transitions that cannot be identified. On the other hand, an arbitrary empirical peak fitting assists the analysis in that non-local transitions can be isolated. The analysis of the oxidation state and coordination geometry of the Fe sites using a variogram-based method is shown to be effective for standard-resolution data and leads to the same results as for high-resolution spectra. This method, validated by analysing spectra of reference compounds and their well defined mixtures, is finally applied to track structural changes in a 1% Fe/Al2O3 and a 0.5% Fe/BEA zeolite catalyst during reduction in 5% H2/He. The results, hardly accessible by other techniques, show that Fe(3+) is

  16. Decay of 57Ni

    International Nuclear Information System (INIS)

    Santos Scardino, A.M. dos.

    1987-01-01

    The decay of 57 Ni to 57 Co was studied by gamma ray spectroscopy using both singles and coincidence spectra. The sources were obtained with the 58 Ni (Y,n) 57 Ni reaction. Natural metallic nickel was irradiated in the bremsstrahluhng beam of the linear accelerator of the Instituto de Fisica da Universidade de Sao Paulo with 30 MeV electrons. The singles espectra were taken with 104 cc HPGe detector and the coincidences espectra with 27 and 53cc Ge(Li) and 104 cc. HPGe detectors. The energies of transitions that follow the 57 Ni decay were measured using 56 Co as standard (which was obtained by (Y,np) reaction in 58 Ni) and taking into account the cascade cross-over relations. (author) [pt

  17. Bridging exchange bias effect in NiO and Ni(core)@NiO(shell) nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Rinaldi-Montes, Natalia, E-mail: nataliarin@gmail.com [Departamento de Física, Universidad de Oviedo, E-33007 Oviedo (Spain); Gorria, Pedro [Departamento de Física & IUTA, EPI, Universidad de Oviedo, E-33203 Gijón (Spain); Martínez-Blanco, David [Servicios Científico-Técnicos, Universidad de Oviedo, E-33006 Oviedo (Spain); Fuertes, Antonio B. [Instituto Nacional del Carbón, CSIC, E-33080 Oviedo (Spain); Fernández Barquín, Luis [CITIMAC, Facultad de Ciencias, Universidad de Cantabria, E-39005 Santander (Spain); Puente-Orench, Inés [Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza and Institut Laue-Langevin, BP 156, F-38042 Grenoble Cedex 9 (France); Blanco, Jesús A. [Departamento de Física, Universidad de Oviedo, E-33007 Oviedo (Spain)

    2016-02-15

    Among all bi-magnetic core(transition metal)@shell(transition metal oxide) nanoparticles (NPs), Ni@NiO ones show an onset temperature for the exchange bias (EB) effect far below the Néel temperature of bulk antiferromagnetic NiO. In this framework, the role played by the magnetism of NiO at the nanoscale is investigated by comparing the microstructure and magnetic properties of NiO and Ni@NiO NPs. With the aim of bridging the two systems, the diameter of the NiO NPs (~4 nm) is chosen to be comparable to the shell thickness of Ni@NiO ones (~2 nm). The EB effect in Ni@NiO NPs is attributed to the exchange coupling between the core and the shell, with an interfacial exchange energy of ΔE~0.06 erg cm{sup −2}, thus comparable to previous reports on Ni/NiO interfaces both in thin film and NP morphologies. In contrast, the EB detected in NiO NPs is explained in a picture where uncompensated spins located on a magnetically disordered surface shell are exchange coupled to the antiferromagnetic core. In all the studied NPs, the variation of the EB field as a function of temperature is described according to a negative exponential law with a similar decay constant, yielding a vanishing EB effect around T~40–50 K. In addition, the onset temperature for the EB effect in both NiO and Ni@NiO NPs seems to follow a universal dependence with the NiO crystallite size. - Highlights: • Comparison of the exchange bias effect in NiO and Ni(core)@NiO(shell) nanoparticles. • Universal temperature dependence of the exchange bias effect. • Suggested similar physical origin of the effect in both systems. • Size and crystallinity of the NiO shell hold the key for exchange bias properties.

  18. Structure and spectroscopic study of aqueous Fe(III)-As(V) complexes using UV-Vis, XAS and DFT-TDDFT.

    Science.gov (United States)

    Chai, Liyuan; Yang, Jinqin; Zhang, Ning; Wu, Pin-Jiun; Li, Qingzhu; Wang, Qingwei; Liu, Hui; Yi, Haibo

    2017-09-01

    Aqueous complexes between ferric (Fe(III)) and arsenate (As(V)) are indispensable for understanding the mobility of arsenic (As) in Fe(III)-As(V)-rich systems. In this study, aqueous Fe(III)-As(V) complexes, FeH 2 AsO 4 2+ and FeHAsO 4 + , were postulated based on the qualitative analysis of UV-Vis spectra in both Fe(III)-As(V)-HClO 4 and Fe(III)-As(V)-H 2 SO 4 systems. Subsequently, monodentate structures were evidenced by Fe K-edge EXAFS and modeled as [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + by DFT. The feature band at ∼280 nm was verified as electron excitation chiefly from Fe-As-bridged O atoms to d-orbital of Fe in [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + . The structural and spectral information of Fe(III)-As(V) complexes will enable future speciation analysis in Fe(III)-As(V)-rich system. Copyright © 2017. Published by Elsevier Ltd.

  19. The silicon neighborhood across the a-Si:H to {mu}c-Si transition by X-ray absorption spectroscopy (XAS)

    Energy Technology Data Exchange (ETDEWEB)

    Tessler, Leandro R.; Wang Qi; Branz, Howard M

    2003-04-22

    We report a synchrotron X-ray absorption spectroscopy study of the average neighborhood of Si near the transition from a-Si:H to {mu}c-Si on wedge-shaped samples prepared by hot-wire CVD in a chamber using a movable shutter. The thickness of the wedge varies from 30 to 160 nm. Nucleation of {mu}c-Si occurs at a critical thickness of approximately 100 nm. X-Ray absorption was measured at the Si K-edge (1.84 keV) by total electron photoemission yield. The absorption oscillations in the EXAFS region are very similar to all along the wedge. Analysis indicates an average tetrahedral first neighbor shell with radial disorder decreasing with crystallization. In the near-edge (XANES) region multiple scattering effects appear at the onset of crystallinity. Unlike single crystal silicon, these effects involve only double scattering within the first neighbor shell, indicating an ill-formed second shell in {mu}c-Si.

  20. Local atomic characterization of LiCo1/3Ni1/3Mn1/3O2 cathode material

    International Nuclear Information System (INIS)

    Nedoseykina, Tatiana; Kim, Sung-Soo; Nitta, Yoshiaki

    2006-01-01

    Co, Ni and Mn K-edge XAFS investigation of LiCo 1/3 Ni 1/3 Mn 1/3 O 2 as alternative cathode material to commercially used LiCoO 2 in lithium rechargeable battery has been performed. Parameters of a local atomic structure such as radii of metal-oxygen and metal-metal coordination shells and disorder in those shells have been determined. It has been found that the radius of the first coordination shell (metal-oxygen) as well as a local disorder in the second shell (metal-metal) around each of the 3d-metals are in a good agreement with obtained for superlattice model of √3 x √3] R30 o type in triangular lattice of sites by first principle calculation. Other parameters of the local atomic structure around Co, Ni and Mn atoms do not provide evidence for presence of superstructure in LiCo 1/3 Ni 1/3 Mn 1/3 O 2

  1. ENERGÍA DE ENLACE DE EXCITONES EN POZOS CUÁNTICOS DE GaAs/Ga1-xAl xAs

    Directory of Open Access Journals (Sweden)

    Parménides Aristizábal

    2007-06-01

    Full Text Available El uso de las estructuras de baja dimensionalidad es un elemento tecnológico clave en la creación de nuevos dispositivos cuánticos funcionales de la siguiente generación de circuitos integrados electrónicos, fotónicos y espintrónicos y muchos otros dispositivos nanotecnológicos que son necesarios para la sociedad de la información del siglo XXI. Una de las propiedades ópticas más importante es la fotoluminiscencia producida por agentes tales como impurezas y excitones en pozos, hilos y puntos cuánticos de arseniuro de galio GaAs con dimensiones nanométricas bajo la influencia de campos eléctricos y magnéticos y presiones externas. Se presenta la energía de enlace para los tres primeros estados excitónicos en pozos cuánticos de GaAs/Ga1-xAl xAs describiendo el sistema por medio de la teoría cuántica, en la aproximación de masa efectiva y usando el método variacional.The use of low dimensional structures is a key technological element in the creation of new quantum functional devices in the development of the next generation of the electronic, photonic, and spintronic integrated circuits and many other nanoscaled devices that are necessary for the information society of 21st century. One of the most important optical properties is the photoluminescence produced by agents as impurities and excitons in GaAs quantum wells, wires, and dots with nanometric dimensions under the influence of electric and magnetic fields and external pressures. The binding energy for the first three excitonic states in GaAs/Ga1-xA1xAs quantum wells describing the system through quantum theory in the effective mass approximation and using the variational method is presented.

  2. OpenNI cookbook

    CERN Document Server

    Falahati, Soroush

    2013-01-01

    This is a Cookbook with plenty of practical recipes enriched with explained code and relevant screenshots to ease your learning curve. If you are a beginner or a professional in NIUI and want to write serious applications or games, then this book is for you. Even OpenNI 1 and OpenNI 1.x programmers who want to move to new versions of OpenNI can use this book as a starting point. This book uses C++ as the primary language but there are some examples in C# and Java too, so you need to have about a basic working knowledge of C or C++ for most cases.

  3. Synthesis and characterization of carbon supported PdNi nanocatalysts for electroreduction of oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Muhammad Sufaid; Milian, Rosendo Parra, E-mail: sufaidkhan1984@gmail.com [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Araraquara, SP (Brazil). Instituto de Química; Gallo, Irã Borges Coutinho; Villullas, Hebe Mercedes [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Sao Paulo, SP (Brazil). Instituto de Química

    2016-07-01

    Full text: In this work, PdNi nanoparticles were prepared by a modified polyol method [1] with different Pd:Ni nominal ratios (80:20, 70:30 and 50:50, in atoms) and then supported on carbon (Vulcan XC-72). The structural properties of all materials were characterized by X-ray diffraction (XRD). Data show the formation PdNi alloys, as indicated by the decreased of the Pd lattice parameter compared Pd/C. The Pd 4d band electronic occupancy was assessed by X-ray Absorption Spectroscopy measurements that were carried out around the Pd L3 edge. Results evidenced that the presence of Ni decreases the electronic vacancy of the Pd 4d band. The electrocatalytic activity for the oxygen reduction reaction (ORR) was studied using the rotating disk electrode technique in O{sub 2}-saturated H{sub 2}SO{sub 4} and NaOH solutions. Overall, all PdNi materials presented better catalytic performance for the ORR than pure Pd, in both acidic and alkaline media. The production of H{sub 2}O{sub 2} was quantified using the rotating ring-disk technique, which allowed detecting this reaction intermediate by oxidizing it at the ring electrode. In all cases, data indicate low production of H{sub 2}O{sub 2}, which suggests that the ORR occurs mainly through the 4 electron mechanism on all catalysts studied in this work. Additionally, all prepared materials were submitted to stability tests by continuous potential cycling up to 1.0 V (vs. RHE). These studies evidenced that stability of Pd against dissolution is affected by the presence of Ni, with significant improvement for the PdNi alloys containing 20 and 30% Ni. Acknowledgments. Thanks are due to FAPESP (2014/12255-6) and CNPq (407143/2013-0) for financial support, and to the Brazilian Synchrotron Light Laboratory (LNLS) for the XAS experiments. References [1] S. Sun, C.B. Murray, D. Weller, L. Folks, A. Moser. Science 287, 1989 (2000). (author)

  4. Exciton confinement in strain-engineered metamorphic InAs/I nxG a1 -xAs quantum dots

    Science.gov (United States)

    Khattak, S. A.; Hayne, M.; Huang, J.; Vanacken, J.; Moshchalkov, V. V.; Seravalli, L.; Trevisi, G.; Frigeri, P.

    2017-11-01

    We report a comprehensive study of exciton confinement in self-assembled InAs quantum dots (QDs) in strain-engineered metamorphic I nxG a1 -xAs confining layers on GaAs using low-temperature magnetophotoluminescence. As the lattice mismatch (strain) between QDs and confining layers (CLs) increases from 4.8% to 5.7% the reduced mass of the exciton increases, but saturates at higher mismatches. At low QD-CL mismatch there is clear evidence of spillover of the exciton wave function due to small localization energies. This is suppressed as the In content x in the CLs decreases (mismatch and localization energy increasing). The combined effects of low effective mass and wave-function spillover at high x result in a diamagnetic shift coefficient that is an order of magnitude larger than for samples where In content in the barrier is low (mismatch is high and localization energy is large). Finally, an anomalously small measured Bohr radius in samples with the highest x is attributed to a combination of thermalization due to low localization energy, and its enhancement with magnetic field, a mechanism which results in small dots in the ensemble dominating the measured Bohr radius.

  5. Gd-Ni-Si system

    International Nuclear Information System (INIS)

    Bodak, O.I.; Shvets, A.F.

    1983-01-01

    By X-ray phase analysis method isothermal cross section of phase diagram of the Gd-Ni-Si system at 870 K is studied. The existence of nine previously known compounds (GdNisub(6.72)Sisub(6.28), GdNi 10 Si 2 , GdNi 5 Si 3 , GdNi 4 Si, GdNi 2 Si 2 , GdNiSi 3 , GdNiSi 2 , Gd 3 Ni 6 Si 2 and GdNiSi) is confirmed and three new compounds (GdNisub(0.2)Sisub(1.8), Gdsub(2)Nisub(1-0.8)Sisub(1-1.2), Gd 5 NiSi 4 ) are found. On the base of Gd 2 Si 3 compound up to 0.15 at. Ni fractions, an interstitial solid solution is formed up to 0.25 at Ni fractions dissolution continues of substitution type. The Gd-Ni-Si system is similar to the Y-Ni-Si system

  6. Internal carbonitriding behavior of Ni-V, Ni-Cr, and Ni-3Nb alloys

    International Nuclear Information System (INIS)

    Allen, A.T.; Douglass, D.L.

    1999-01-01

    Ni-2V, Ni-5V, Ni-12V, Ni-10Cr, Ni-20Cr, and Ni-3Nb alloys were carbonitrided in C 3 H 6 and NH 3 gas mixtures (bal H 2 ) over the range 700--1,000 C. Carbonitridation of Ni-12V and Ni-20Cr in C 3 H 6 /NH 3 /H 2 (1.5/1.5/97 v/o) and (1.5/10/88.5 v/o) produced duplex subscales consisting of near-surface nitrides with underlying carbides. Growth of each zone obeyed the parabolic rate law under most conditions. The presence of carbon generally did not effect the depth of the nitride zones compared to nitriding the alloys in NH 3 /H 2 (10/90 v/o). However, at 700 C, the nitride zones were deeper in the carbonitrided Ni-V alloys and Ni-20Cr. The presence of nitrogen generally increased the depth of the carbide zones in Ni-12V and Ni-20Cr compared to carburizing these alloys in C 3 H 6 /H 2 (1.5/98.5 v/o). VN, CrN, and NbN formed in Ni-V, Ni-Cr, and Ni-Nb alloys, respectively, whereas the underlying carbide layers contained V 4 C 3 in Ni-12V, Cr 3 C 2 above a zone of Cr 7 C 3 in Ni-20Cr, and NbC in Ni-3Nb. The solubilities and diffusivities of nitrogen and carbon in nickel were determined. Nitrogen and carbon each exhibited retrograde solubility with temperature in pure Ni in both carbonitriding environments. Nitrogen diffusion in nickel was generally lower in each carbonitriding mixture compared to nitrogen diffusion in a nitriding environment, except at 700 C when nitrogen diffusion was higher. Carbon diffusion in nickel was generally higher in the carbonitriding environments compared to carbon diffusion in a carburizing environment

  7. Use of Hydrogen Chemisorption and Ethylene Hydrogenation as Predictors for Aqueous Phase Reforming of Lactose over Ni@Pt and Co@Pt Bimetallic Overlayer Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Qinghua; Skoglund, Michael D.; Zhang, Chen; Morris, Allen R.; Holles, Joseph H.

    2016-10-20

    Overlayer Pt on Ni (Ni@Pt) or Co (Co@Pt) were synthesized and tested for H2 generation from APR of lactose. H2 chemisorption descriptor showed that Ni@Pt and Co@Pt overlayer catalysts had reduced H2 adsorption strength compared to a Pt only catalyst, which agree with computational predictions. The overlayer catalysts also demonstrated lower activity for ethylene hydrogenation than the Pt only catalyst, which likely resulted from decreased H2 binding strength decreasing the surface coverage of H2. XAS results showed that overlayer catalysts exhibited higher white line intensity than the Pt catalyst, which indicates a negative d-band shift for the Pt overlayer, further providing evidence for overlayer formation. Lactose APR studies showed that lactose can be used as feedstock to produce H2 and CO under desirable reaction conditions. The Pt active sites of Ni@Pt and Co@Pt overlayer catalysts showed significantly enhanced H2 production selectivity and activity when compared with that of a Pt only catalyst. The single deposition overlayer with the largest d-band shift showed the highest H2 activity. The results suggest that overlayer formation using directed deposition technique could modify the behavior of the surface metal and ultimately modify the APR activity.

  8. GaAs, AlAs, and AlxGa1-xAs: Material parameters for use in research and device applications

    Science.gov (United States)

    Adachi, Sadao

    1985-08-01

    The AlxGa1-xAs/GaAs heterostructure system is potentially useful material for high-speed digital, high-frequency microwave, and electro-optic device applications. Even though the basic AlxGa1-xAs/GaAs heterostructure concepts are understood at this time, some practical device parameters in this system have been hampered by a lack of definite knowledge of many material parameters. Recently, Blakemore has presented numerical and graphical information about many of the physical and electronic properties of GaAs [J. S. Blakemore, J. Appl. Phys. 53, R123 (1982)]. The purpose of this review is (i) to obtain and clarify all the various material parameters of AlxGa1-xAs alloy from a systematic point of view, and (ii) to present key properties of the material parameters for a variety of research works and device applications. A complete set of material parameters are considered in this review for GaAs, AlAs, and AlxGa1-xAs alloys. The model used is based on an interpolation scheme and, therefore, necessitates known values of the parameters for the related binaries (GaAs and AlAs). The material parameters and properties considered in the present review can be classified into sixteen groups: (1) lattice constant and crystal density, (2) melting point, (3) thermal expansion coefficient, (4) lattice dynamic properties, (5) lattice thermal properties, (6) electronic-band structure, (7) external perturbation effects on the band-gap energy, (8) effective mass, (9) deformation potential, (10) static and high-frequency dielectric constants, (11) magnetic susceptibility, (12) piezoelectric constant, (13) Fröhlich coupling parameter, (14) electron transport properties, (15) optical properties, and (16) photoelastic properties. Of particular interest is the deviation of material parameters from linearity with respect to the AlAs mole fraction x. Some material parameters, such as lattice constant, crystal density, thermal expansion coefficient, dielectric constant, and elastic constant

  9. Nipah Virus (NiV)

    Science.gov (United States)

    ... Form Controls Cancel Submit Search the CDC Nipah Virus (NiV) Note: Javascript is disabled or is not ... gov . Recommend on Facebook Tweet Share Compartir Nipah virus (NiV) is a member of the family Paramyxoviridae , ...

  10. In-operando elucidation of bimetallic CoNi nanoparticles during high-temperature CH 4 /CO 2 reaction

    KAUST Repository

    Al-Sabban, Bedour

    2017-05-02

    Dry reforming of methane (DRM) proceeds via CH4 decomposition to leave surface carbon species, followed by their removal with CO2-derived species. Reactivity tuning for stoichiometric CH4/CO2 reactants was attempted by alloying the non-noble metals Co and Ni, which have high affinity with CO2 and high activity for CH4 decomposition, respectively. This study was focused on providing evidence of the capturing surface coverage of the reactive intermediates and the associated structural changes of the metals during DRM at high temperature using in-operando X-ray absorption spectroscopy (XAS). On the Co catalysts, the first-order effects with respect to CH4 pressure and negative-order effects with respect to CO2 pressure on the DRM rate are consistent with the competitive adsorption of the surface oxygen species on the same sites as the CH4 decomposition reaction. The Ni surface provides comparatively higher rates of CH4 decomposition and the resultant DRM than the Co catalyst but leaves some deposited carbon on the catalyst surface. In contrast, the bimetallic CoNi catalyst exhibits reactivity towards the DRM but with kinetic orders resembling Co catalyst, producing negligible carbon deposition by balancing CH4 and CO2 activation. The in-operando X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements confirmed that the Co catalyst was progressively oxidized from the surface to the bulk with reaction time, whereas CoNi and Ni remained relatively reduced during DRM. Density functional theory (DFT) calculation considering the high reaction temperature for DRM confirmed the unselective site arrangement between Co and Ni atoms in both the surface and bulk of the alloy nanoparticle (NP). The calculated heat of oxygen chemisorption became more exothermic in the order of Ni, CoNi, Co, consistent with the catalytic behavior. The comprehensive experimental and theoretical evidence provided herein clearly suggests

  11. Ni República parlamentaria ni presidencialista

    OpenAIRE

    Álvarez Tardío, Manuel

    2004-01-01

    Revista de Estudios Políticos (Nueva Época), Núm. 123. Enero-Marzo 2004 Este trabajo está dedicado al estudio de un aspecto básico del sistema político de la II República española (1931-1936): el modelo de presidencia de la República y de relaciones de la misma con el parlamento y el gobierno. Aquí se sostiene que la Segunda República, de acuerdo con su Constitución, no fue un régimen parlamentario ni presidencial. Combinó de forma extraña y ambigua elementos de ambos modelos. Probablement...

  12. Donor-impurity related photoionization cross section in GaAs/Ga{sub 1−x}Al{sub x}As concentric double quantum rings: Effects of geometry and hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Baghramyan, H.M. [Department of Solid State Physics, Yerevan State University, Alex Manoogian 1, 0025 Yerevan (Armenia); Barseghyan, M.G., E-mail: mbarsegh@ysu.am [Department of Solid State Physics, Yerevan State University, Alex Manoogian 1, 0025 Yerevan (Armenia); Kirakosyan, A.A. [Department of Solid State Physics, Yerevan State University, Alex Manoogian 1, 0025 Yerevan (Armenia); Laroze, D. [Instituto de Alta Investigación, Universidad de Tarapacá, Casilla 7D, Arica (Chile); Duque, C.A. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín (Colombia)

    2014-09-15

    The donor-impurity related photoionization cross section in GaAs/Ga{sub 1−x}Al{sub x}As three-dimensional concentric double quantum rings is investigated. The photoionization cross section dependence on the incident photon energy is studied considering the effects of hydrostatic pressure, variations of aluminum concentration, geometries of the structure, and impurity position. The interpretation of the dipole matrix element, which reflects the photoionization probability, is also given. We have found that these parameters can lead to both redshift and blueshift of the photoionization spectrum and also influence the cross section peak value.

  13. Donor impurity-related optical absorption spectra in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells: hydrostatic pressure and {gamma}-X conduction band mixing effects

    Energy Technology Data Exchange (ETDEWEB)

    Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62209, Cuernavaca, MOR (Mexico); Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain); Lopez, S.Y. [Fac. de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Duque, C.A. [Inst. de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Velasco, V.R. [Inst. de Ciencia de Materiales de Madrid, CSIC, Sor Juana Ines de la Cruz 3, 28049 Madrid (Spain)

    2007-07-01

    Using a variational procedure within the effective mass approximation, the mixing between the {gamma} and X conduction band valleys in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated by taking into account the effect of applied hydrostatic pressure. Some optical properties such as donor and/or acceptor binding energy and impurity-related transition energies are calculated and comparisons with available experimental data are presented. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. Impurity-related optical properties in rectangular-transverse section GaAs-Ga{sub 1-x}Al{sub x}As quantum well wires: Hydrostatic pressure and electric field effects

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez, J.W.; Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Lopez, S.Y. [Facultad de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Rodriguez, A.H. [Instituto de Fisica, Universidad Nacional Autonoma de Mexico (UNAM), Apdo. Postal 20-364, San Angel 01000, Mexico DF (Mexico); Porras-Montenegro, N. [Departamento de Fisica, Universidad del Valle, AA 25360, Cali (Colombia)

    2007-01-15

    Using a variational procedure within the effective mass approximation, we have calculated the influence of an applied electric field and hydrostatic pressure on the shallow-impurity-related optical properties in a rectangular-transverse section GaAs-Ga{sub 1-x}Al{sub x}As quantum well wire. The electric field is applied in the plane of the transverse section of the wire and different angular directions have been considered. The results presented are for the impurity binding energy, its corresponding density of impurity states, and impurity-related transition energy and polarizability. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Comparative study of the hydrostatic pressure and temperature effects on the impurity-related optical properties in single and double GaAs-Ga{sub 1-x}Al{sub x}As quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Odhiambo Oyoko, H. [Department of Physics, Westville Campus, University of KwaZulu-Natal, Private Bag X 54001, Durban 4000 (South Africa); Porras-Montenegro, N. [Departamento de Fisica, Universidad del Valle, AA 25360, Cali (Colombia); Lopez, S.Y. [Facultad de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia)

    2007-07-01

    Using a variational technique within the effective mass approximation we have carried out a comparative study of the effect of hydrostatic pressure and temperature on the shallow-impurity related optical absorption spectra in GaAs-Ga{sub 1-x}Al{sub x}As single and double quantum wells. The results show a pressure dependent read-shift and a temperature dependent blue-shift in the optical absorption spectra. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Continuous room-temperature operation of GaAs-Al/sub x/Ga1/sub -//sub x/As double-heterostructure lasers prepared by molecular-beam epitaxy

    International Nuclear Information System (INIS)

    Cho, A.Y.; Dixon, R.W.; Casey, H.C. Jr.; Hartman, R.L.

    1976-01-01

    The continuous (cw) operation at temperatures as high as 100 0 C of stripe-geometry GaAs-Al/sub x/Ga/sub 1-x/As double-heterostructure lasers fabricated by molecular-beam epitaxial (MBE) techniques has been achieved. Improved MBE laser performance was the result of the extensive efforts to eliminate hydrocarbon and water vapor from the growth apparatus. For 12-μm-wide stripe-geometry lasers with 380-μm-long cavities, the cw threshold currents varied between 163 and 297 mA at room temperature

  17. Design and characterization of thick InxGa1-xAs metamorphic buffer layers grown by hydride vapor phase epitaxy

    Science.gov (United States)

    Schulte, K. L.; Zutter, B. T.; Wood, A. W.; Babcock, S. E.; Kuech, T. F.

    2014-03-01

    Thick InxGa1-xAs metamorphic buffer layers (MBLs) grown by hydride vapor phase epitaxy (HVPE) were studied. Relationships between MBL properties and growth parameters such as grading rate, cap layer thickness, final xInAs, and deposition temperature (TD) were explored. The MBLs were characterized by measurement of in-plane residual strain (ɛ¦¦), surface etch pit density (EPD), and surface roughness. Capping layer thickness had a strong effect on strain relaxation, with thickly capped samples exhibiting the lowest ɛ¦¦. EPD was higher in samples with thicker caps, reflecting their increased relaxation through dislocation generation. ɛ¦¦ and EPD were weakly affected by the grading rate, making capping layer thickness the primary structural parameter which controls these properties. MBLs graded in discrete steps had similar properties to MBLs with continuous grading. In samples with identical thickness and 10-step grading style, ɛ¦¦ increased almost linearly with final xInAs, while total relaxation stayed relatively constant. Relaxation as a function of xInAs could be described by an equilibrium model in which dislocation nucleation is impeded by the energy of the existing dislocation array. EPD was constant from xInAs = 0 to 0.24 then increased exponentially, which is related to the increased dislocation interaction and blocking seen at higher dislocation densities. RMS roughness increased with xInAs above a certain strain rate (0.15%/µm) samples grown below this level possessed large surface hillocks and high roughness values. The elimination of hillocks at higher values of xInAs is attributed to increased density of surface steps and is related to the out-of-plane component of the burgers vector of the dominant type of 60° dislocation. TD did not affect ɛ¦¦ for samples with a given xInAs. EPD tended to increase with TD, indicating dislocation glide likely is impeded at higher temperatures.

  18. Microstructural development in NiAl/Ni-Si-B/Ni transient liquid phase bonds

    International Nuclear Information System (INIS)

    Gale, W.F.; Orel, S.V.

    1996-01-01

    A transmission electron microscopy (TEM) based investigation of microstructural development during transient liquid phase bonding of near-stoichiometric NiAl to commercial purity nickel is presented in this article. The work described employed Ni-4.5 wt pct Si-3.2 wt pct B (BNi-3) melt-spun interlayers. The precipitation of both Ni-Al based phases and borides within the joint and adjacent substrate regions is discussed. The article considers martensite formation (within the NiAl substrate) and the precipitation of L1 2 type phases (both within the joint and at the interface with the NiAl substrate). The relative roles of the two substrate materials (NiAl and Ni) in the isothermal resolidification process are identified. The preferential formation of Ni 3 B boride phases in the Ni substrate near the original location of the Ni substrate-joint interface is discussed and contrasted with the absence of similar events in the NiAl substrate

  19. Ni landsbyer i Danmark

    DEFF Research Database (Denmark)

    Larsen, Jacob Norvig

    Denne rapport beskriver en evaluering af statsstøttede forsøg med at styrke og udvikle mindre lokalsamfund. Forsøgene er gennemført i ni kommuner. Da der i disse år er stor opmærksomhed om de små byers og samfunds udviklingsmuligheder, har erfaringerne fra forsøgsprojekterne bred interesse. Forsø...

  20. HDN and HDS of different gas oils derived from Athabasca bitumen over phosphorus-doped NiMo/{gamma}-Al{sub 2}O{sub 3} carbides

    Energy Technology Data Exchange (ETDEWEB)

    Sundaramurthy, V.; Dalai, A.K. [Catalysis and Chemical Reaction Engineering Laboratories, Department of Chemical Engineering, University of Saskatchewan, Saskatoon, Sask. S7N 5A9 (Canada); Adjaye, J. [Syncrude Edmonton Research Centre, Edmonton, Alta. T6N 1H4 (Canada)

    2006-10-26

    A series of phosphorous-doped {gamma}-Al{sub 2}O{sub 3} supported Ni-Mo bimetallic carbide catalysts (PNiMo{sub 2}C/Al{sub 2}O{sub 3}) with 0-4.5wt.% Ni, 13wt.% Mo and 2.5wt.% P were synthesized and characterized by elemental analysis, pulsed CO chemisorption, surface area measurement, X-ray diffraction (XRD), near-edge X-ray absorption fine structure (NEXAFS), DRIFT spectroscopy of CO adsorption and H{sub 2} temperature programmed reduction. XRD indicated the formation of pure {beta}-Mo{sub 2}C phase in these catalysts, whereas the near edge X-ray absorption fine structure of C K-edge confirmed the formation of carbidic carbons. DRIFT spectra of adsorbed CO revealed that Ni or P addition to Mo{sub 2}C/Al{sub 2}O{sub 3} catalyst not only increases the number of surface Mo sites, but also promotes the reducibility of Mo. The partial sulfidation of Mo{sub 2}C phase in the presence of H{sub 2}S/H{sub 2} gas mixture at 370{sup o}C was evidenced by DRIFTS of adsorbed CO. The HDN and HDS activities of these PNiMo{sub 2}C/Al{sub 2}O{sub 3} catalysts were performed in a trickle bed reactor using light gas oil (LGO) and heavy gas oil (HGO) derived from Athabasca bitumen at 8.8MPa and compared with the unpromoted Mo carbide (Mo{sub 2}C/Al{sub 2}O{sub 3}), P doped Mo carbide (PMo{sub 2}C/Al{sub 2}O{sub 3}) and Ni promoted Mo carbide (NiMo{sub 2}C/Al{sub 2}O{sub 3}). The P doped Ni-Mo bimetallic carbide catalysts showed enhanced HDN activity compared to the Mo{sub 2}C/Al{sub 2}O{sub 3}, NiMo{sub 2}C/Al{sub 2}O{sub 3} and PMo{sub 2}C/Al{sub 2}O{sub 3} catalysts. The maximum N and S conversions, respectively, were obtained over PNiMo{sub 2}C/Al{sub 2}O{sub 3} and NiMo{sub 2}C/Al{sub 2}O{sub 3} catalysts containing 2.5wt.% Ni. (author)

  1. Nickel speciation in cement-stabilized/solidified metal treatment filtercakes

    Energy Technology Data Exchange (ETDEWEB)

    Roy, Amitava, E-mail: reroy@lsu.edu [J. Bennett Johnston, Sr., Center for Advanced Microstructures and Devices, Louisiana State University, Baton Rouge, LA 70806, USA (United States); Stegemann, Julia A., E-mail: j.stegemann@ucl.ac.uk [Centre for Resource Efficiency & the Environment, Department of Civil, Environmental & Geomatic Engineering, University College London, Chadwick Building, Gower Street, London WC1E 6BT, UK (United Kingdom)

    2017-01-05

    Highlights: • XAS shows the same Ni speciation in untreated and stabilized/solidified filtercake. • Ni solubility is the same for untreated and stabilized/solidified filtercake. • Leaching is controlled by pH and physical encapsulation for all binders. - Abstract: Cement-based stabilization/solidification (S/S) is used to decrease environmental leaching of contaminants from industrial wastes. In this study, two industrial metal treatment filtercakes were characterized by X-ray diffractometry (XRD), thermogravimetric and differential thermogravimetric analysis (TG/DTG) and Fourier transform infrared (FTIR); speciation of nickel was examined by X-ray absorption (XAS) spectroscopy. Although the degree of carbonation and crystallinity of the two untreated filtercakes differed, α-nickel hydroxide was identified as the primary nickel-containing phase by XRD and nickel K edge XAS. XAS showed that the speciation of nickel in the filtercake was unaltered by treatment with any of five different S/S binder systems. Nickel leaching from the untreated filtercakes and all their stabilized/solidified products, as a function of pH in the acid neutralization capacity test, was essentially complete below pH ∼5, but was 3–4 orders of magnitude lower at pH 8–12. S/S does not respeciate nickel from metal treatment filtercakes and any reduction of nickel leaching by S/S is attributable to pH control and physical mechanisms only. pH-dependent leaching of Cr, Cu and Ni is similar for the wastes and s/s products, except that availability of Cr, Cu and Zn at decreased pH is reduced in matrices containing ground granulated blast furnace slag.

  2. Reduction mechanism of Ni2+ into Ni nanoparticles prepared from ...

    Indian Academy of Sciences (India)

    journal of. March 2009 physics pp. 577–586. Reduction mechanism of Ni2+ into Ni ..... and at high field, no domain wall is available and hence, the system becomes a .... [23] J Ding, T Tsuzuki, P G McCormick and R Street, J. Phys. D: Appl.

  3. Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage.

    Science.gov (United States)

    Shakeri Yekta, Sepehr; Lindmark, Amanda; Skyllberg, Ulf; Danielsson, Asa; Svensson, Bo H

    2014-03-30

    The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼ 20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes. Copyright © 2014 Elsevier B.V. All rights reserved.

  4. Reactive Ni/Ti nanolaminates

    International Nuclear Information System (INIS)

    Adams, D. P.; Bai, M. M.; Rodriguez, M. A.; McDonald, J. P.; Jones, E. Jr.; Brewer, L.; Moore, J. J.

    2009-01-01

    Nickel/titanium nanolaminates fabricated by sputter deposition exhibited rapid, high-temperature synthesis. When heated locally, self-sustained reactions were produced in freestanding Ni/Ti multilayer foils characterized by average propagation speeds between ∼0.1 and 1.4 m/s. The speed of a propagating reaction front was affected by total foil thickness and bilayer thickness (layer periodicity). In contrast to previous work with compacted Ni-Ti powders, no preheating of Ni/Ti foils was required to maintain self-propagating reactions. High-temperature synthesis was also stimulated by rapid global heating demonstrating low ignition temperatures (T ig )∼300-400 deg. C for nanolaminates. Ignition temperature was influenced by bilayer thickness with more coarse laminate designs exhibiting increased T ig . Foils reacted in a vacuum apparatus developed either as single-phase B2 cubic NiTi (austenite) or as a mixed-phase structure that was composed of monoclinic B19 ' NiTi (martensite), hexagonal NiTi 2 , and B2 NiTi. Single-phase, cubic B2 NiTi generally formed when the initial bilayer thickness was made small.

  5. Electroplated Ni on the PN Junction Semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Joo; Uhm, Young Rang; Son, Kwang Jae; Kim, Jong Bum; Choi, Sang Moo; Park, Jong Han; Hong, Jintae [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    Nickel (Ni) electroplating was implemented by using a metal Ni powder in order to establish a Ni-63 plating condition on the PN junction semiconductor needed for production of betavoltaic battery. PN junction semiconductors with a Ni seed layer of 500 and 1000 A were coated with Ni at current density from 10 to 50 mA cm{sup 2}. The surface roughness and average grain size of Ni deposits were investigated by XRD and SEM techniques. The roughness of Ni deposit was increased as the current density was increased, and decreased as the thickness of Ni seed layer was increased.

  6. Electroplated Ni on the PN Junction Semiconductor

    International Nuclear Information System (INIS)

    Kim, Jin Joo; Uhm, Young Rang; Son, Kwang Jae; Kim, Jong Bum; Choi, Sang Moo; Park, Jong Han; Hong, Jintae

    2015-01-01

    Nickel (Ni) electroplating was implemented by using a metal Ni powder in order to establish a Ni-63 plating condition on the PN junction semiconductor needed for production of betavoltaic battery. PN junction semiconductors with a Ni seed layer of 500 and 1000 A were coated with Ni at current density from 10 to 50 mA cm 2 . The surface roughness and average grain size of Ni deposits were investigated by XRD and SEM techniques. The roughness of Ni deposit was increased as the current density was increased, and decreased as the thickness of Ni seed layer was increased

  7. Coherent-potential approximation for vibrations in Ga/sub 1-x/In/sub x/Sb and Ga/sub 1-x/In/sub x/As mixed crystals

    International Nuclear Information System (INIS)

    Kleinert, P.

    1982-01-01

    The vibrational properties of the mixed crystals Ga/sub 1-x/In/sub x/As and Ga/sub 1-x/In/sub x/Sb are investigated using the coherent-potential approximation (CPA). These III-V systems switch from one-mode to two-mode behaviour as the composition is changed. Results are obtained for a one-dimensional model including self-consistently mass defects and force constant changes. The calculated density of states and the dielectric susceptibility are compared with results of the mass CPA. In addition, a three-dimensional CPA Bethe lattice treatment is carried out to calculate the optical properties of these disordered systems showing mixed-mode behaviour. The force-constant change is included by a virtual-crystal interpolation. The theory explains the mode switching behaviour and agrees fairly well with experimental peak positions and line shapes of the response function. (author)

  8. Progress in KNbO/sub 3/ crystal growth and its use in second harmonic generation with a cw-Ga/sub 1-x/Al/sub x/As laser

    International Nuclear Information System (INIS)

    Looser, H.; Gunter, P.; Wu, X.; Arend, H.

    1987-01-01

    KNbO/sub 3/ is especially well suited for second harmonic generation of dye and Ga/sub 1-x/Al/sub x/As lasers with wavelength λ ≅ 860 nm. Using its high nonlinear optical coefficient, d/sub 32/ = 20.3 pm/V, noncritical type l phase matching is possible for fundamental wavelengths of 840-990 nm with crystal temperatures between -40 and 210 0 C. With a pulsed laser diode the authors previously reported 0.35-mW second harmonic peak power from 0.8-W fundamental frequency distributed among eight modes. In this paper, this work is extended to high-power monomode cw laser diodes. Other device parameters such as temperature stability and influence of the crystal homogeneity on the efficiency are discussed

  9. Hydrostatic-pressure effects on the correlated electron-hole transition energies in GaAs-Ga{sub 1-x}Al{sub x}As semiconductor quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Raigoza, N. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Instituto de Fisica, Unicamp, CP 6165, Campinas, Sao Paulo, 13083-970 (Brazil); Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Reyes-Gomez, E. [Dept. of Theor. Physics, Univ. of Havana, San Lazaro y L, Vedado 10400, Havana (Cuba); Instituto de Fisica, Unicamp, CP 6165, Campinas, Sao Paulo, 13083-970 (Brazil); Oliveira, L.E. [Instituto de Fisica, Unicamp, CP 6165, Campinas, Sao Paulo, 13083-970 (Brazil)

    2006-03-01

    The effects of hydrostatic pressure on the correlated e-h transition energies in single GaAs-Ga{sub 1-x}Al{sub x}As quantum wells are calculated via a variational procedure, in the framework of the effective-mass and non-degenerate parabolic-band approximations. The valence-band anisotropy is included in our theoretical model by using different hole masses in different spatial directions. Both heavy- and light-hole exciton energies are obtained, and correlated e-h transition energies are found in good agreement with available experimental measurements. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  10. Hydrostatic pressure effects on the {gamma}-X conduction band mixing and the binding energy of a donor impurity in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells

    Energy Technology Data Exchange (ETDEWEB)

    Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226, Medellin (Colombia); Lopez, S.Y. [Facultad de Educacion, Universidad de Antioquia, AA 1226, Medellin (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, C.P. 62210, Cuernavaca (Mexico)

    2007-06-15

    Mixing between {gamma} and X valleys of the conduction band in GaAs-Ga{sub 1-x}Al{sub x}As quantum wells is investigated taken into account the effect of applied hydrostatic pressure. This effect is introduced via the pressure-dependent values of the corresponding energy gaps and the main band parameters. The mixing is considered along the lines of a phenomenological model. Variation of the confined ground state in the well as a function of the pressure is reported. The dependencies of the variationally calculated binding energy of a donor impurity with the hydrostatic pressure and well width are also presented. It is shown that the inclusion of the {gamma}-X mixing explains the non-linear behavior in the photoluminescence peak of confined exciton states that has been observed for pressures above 20 kbar. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Synthesis and electrochemical behavior of nanostructured cauliflower-shape Co-Ni/Co-Ni oxides composites

    International Nuclear Information System (INIS)

    Gupta, Vinay; Kawaguchi, Toshikazu; Miura, Norio

    2009-01-01

    Nanostructured Co-Ni/Co-Ni oxides were electrochemically deposited onto stainless steel electrode by electrochemical method and characterized for their structural and supercapacitive properties. The SEM images indicated that the obtained Co-Ni/Co-Ni oxides had cauliflower-type nanostructure. The X-ray diffraction pattern showed the formation of Co 3 O 4 , NiO, Co and Ni. The EDX elemental mapping images indicated that Ni, Co and O are distributed uniformly. The deposited Co-Ni/Co-Ni oxides showed good supercapacitive characteristics with a specific capacitance of 331 F/g at 1 mA/cm 2 current density in 1 M KOH electrolyte. A mechanism of the formation of cauliflower-shape Co-Ni/Co-Ni oxides was proposed. A variety of promising applications in the fields such as energy storage devices and sensors can be envisioned from Co-Ni/Co-Ni oxides

  12. Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage

    International Nuclear Information System (INIS)

    Shakeri Yekta, Sepehr; Lindmark, Amanda; Skyllberg, Ulf; Danielsson, Åsa; Svensson, Bo H.

    2014-01-01

    Highlights: • Thermodynamics and kinetics of Fe, Co and Ni added to biogas reactors were studied. • Formation of Fe-sulfide and Fe-thiol aqueous complexes controlled the Fe solubility. • Cobalt solubility was controlled by processes independent of Co-sulfide interaction. • Iron added to the biogas reactors effected the Ni speciation and solubility. - Abstract: The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes

  13. Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage

    Energy Technology Data Exchange (ETDEWEB)

    Shakeri Yekta, Sepehr, E-mail: sepehr.shakeri.yekta@liu.se [Department of Thematic Studies – Water and Environmental Studies, Linköping University, SE-581 83 Linköping (Sweden); Lindmark, Amanda [Department of Thematic Studies – Water and Environmental Studies, Linköping University, SE-581 83 Linköping (Sweden); Skyllberg, Ulf [Department of Forest Ecology and Management, Swedish University of Agricultural Sciences, SE-901 83 Umeå (Sweden); Danielsson, Åsa; Svensson, Bo H. [Department of Thematic Studies – Water and Environmental Studies, Linköping University, SE-581 83 Linköping (Sweden)

    2014-03-01

    Highlights: • Thermodynamics and kinetics of Fe, Co and Ni added to biogas reactors were studied. • Formation of Fe-sulfide and Fe-thiol aqueous complexes controlled the Fe solubility. • Cobalt solubility was controlled by processes independent of Co-sulfide interaction. • Iron added to the biogas reactors effected the Ni speciation and solubility. - Abstract: The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes.

  14. Radiochemical method for 63Ni

    International Nuclear Information System (INIS)

    Holm, E.; Nilsson, U.; Hallstadius, L.

    1985-01-01

    A radianalytical method for the determination of 63 Ni content in environmental samples of activated corrosion products is described. After chemical separation and electrodepositing of 63 Ni on silver briquets, the chemical yield is determined by X-ray fluorescence analysis. For the detection of low-energy beta activity, an open gas flow GM-counter with an anticoincidence guard counter is put to use

  15. Nitriding behavior of Ni and Ni-based binary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Fonovic, Matej

    2015-01-15

    Gaseous nitriding is a prominent thermochemical surface treatment process which can improve various properties of metallic materials such as mechanical, tribological and/or corrosion properties. This process is predominantly performed by applying NH{sub 3}+H{sub 2} containing gas atmospheres serving as the nitrogen donating medium at temperatures between 673 K and 873 K (400 C and 600 C). NH{sub 3} decomposes at the surface of the metallic specimen and nitrogen diffuses into the surface adjacent region of the specimen whereas hydrogen remains in the gas atmosphere. One of the most important parameters characterizing a gaseous nitriding process is the so-called nitriding potential (r{sub N}) which determines the chemical potential of nitrogen provided by the gas phase. The nitriding potential is defined as r{sub N} = p{sub NH{sub 3}}/p{sub H{sub 2}{sup 3/2}} where p{sub NH{sub 3}} and p{sub H{sub 2}} are the partial pressures of the NH{sub 3} and H{sub 2} in the nitriding atmosphere. In contrast with nitriding of α-Fe where the nitriding potential is usually in the range between 0.01 and 1 atm{sup -1/2}, nitriding of Ni and Ni-based alloys requires employing nitriding potentials higher than 100 atm{sup -1/2} and even up to ∞ (nitriding in pure NH{sub 3} atmosphere). This behavior is compatible with decreased thermodynamic stability of the 3d-metal nitrides with increasing atomic number. Depending on the nitriding conditions (temperature, nitriding potential and treatment time), different phases are formed at the surface of the Ni-based alloys. By applying very high nitriding potential, formation of hexagonal Ni{sub 3}N at the surface of the specimen (known as external nitriding) leads to the development of a compound layer, which may improve tribological properties. Underneath the Ni{sub 3}N compound layer, two possibilities exist: (i) alloying element precipitation within the nitrided zone (known as internal nitriding) and/or (ii) development of metastable and

  16. Ni4Ti3 precipitate structures in Ni-rich NiTi shape memory alloys

    International Nuclear Information System (INIS)

    Holec, D.; Bojda, O.; Dlouhy, A.

    2008-01-01

    Non-uniform distributions of Ni 4 Ti 3 precipitate crystallographic variants are investigated in a Ni-rich NiTi shape memory alloy after aging, assisted by external stress. A finite-element method model is presented that considers the elastic anisotropy of the B2 parent phase and also mutual misorientations of grains in a polycrystalline sample. On loading by the external stress, the stress is redistributed in the microstructure and the precipitation of some Ni 4 Ti 3 crystallographic variants becomes distinctly favorable in grain boundary regions since these variant configurations minimize the elastic interaction energy. The volume fraction of the affected grain boundary regions is calculated and the numerical results are compared with the data obtained by differential scanning calorimetry and transmission electron microscopy

  17. Ni4Ti3 precipitate structures in Ni-rich NiTi shape memory alloys

    Czech Academy of Sciences Publication Activity Database

    Holec, David; Bojda, Ondřej; Dlouhý, Antonín

    2008-01-01

    Roč. 481, Sp. Iss. (2008), s. 462-465 ISSN 0921-5093. [ESOMAT 2006. Bochum, 10.09.2006-15.09.2006] R&D Projects: GA ČR(CZ) GA106/05/0918 Institutional research plan: CEZ:AV0Z20410507 Keywords : NiTi shape memory alloys * Ni4Ti3 precipitates * Multi-step martensitic transformations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.806, year: 2008

  18. Electronic structure of Ni-- and Ni2--ethylene cluster complexes

    International Nuclear Information System (INIS)

    Basch, H.; Newton, M.D.; Moskowitz, J.W.

    1978-01-01

    The electronic structure of metal cluster--ethylene complexes has been investigated by carrying out ab initio bonding pair-correlated, self-consistent field, and configuration interaction (CI) calculations on the NiC 2 H 4 and Ni 2 C 2 H 4 species. The π-NiC 2 H 4 and π-Ni 2 C 2 H 4 cluster complexes are found to be bound, the former only with CI, while disigma-Ni 2 C 2 H 4 has only a repulsive Ni 2 --C 2 H 4 ground state potential curve. The bonding in the π-type cluster complexes can be described as follows: The metal atom configuration is 3d 9 4s 1 with the 4s hybridized (by the metal 4p) away from the ethylene molecule, thereby allowing the π orbital to form a dative sigma bond with the metal atom. The bonding interaction is promoted by the presence of a second nickel atom behind the first one, leading to a 4s orbital electron deficiency of the bonded nickel atom and thus making this nickel atom a better electron acceptor. Back donation from the occupied metal 3d into the ethylene π* molecular orbital also takes place to some extent, and thus both features of the classical Dewar--Chatt--Duncanson model are observed. The π-Ni 2 C 2 H 4 species is analyzed in terms of the addition of a bare nickel atom to a π-NiC 2 H 4 cluster complex, with concomitant stabilization of the orbitals of the bonded nickel atom. A study of the excited electronic states of π-NiC 2 H 4 shows that low-lying 4s→π* and 3d→π* (M→L) charge transfer transitions are predicted. The former is not observed experimentally, probably due to the diffuse nature of the 4s orbital. The relationship between small cluster--ethylene complex systems and ethylene chemisorption on a nickel metal surface is discussed

  19. Detailed studies of a high-capacity electrode material for rechargeable batteries, Li2MnO3-LiCo(1/3)Ni(1/3)Mn(1/3)O2.

    Science.gov (United States)

    Yabuuchi, Naoaki; Yoshii, Kazuhiro; Myung, Seung-Taek; Nakai, Izumi; Komaba, Shinichi

    2011-03-30

    Lithium-excess manganese layered oxides, which are commonly described by the chemical formula zLi(2)MnO(3)-(1-z)LiMeO(2) (Me = Co, Ni, Mn, etc.), are of great importance as positive electrode materials for rechargeable lithium batteries. In this Article, Li(x)Co(0.13)Ni(0.13)Mn(0.54)O(2-δ) samples are prepared from Li(1.2)Ni(0.13)Co(0.13)Mn(0.54)O(2) (or 0.5Li(2)MnO(3)-0.5LiCo(1/3)Ni(1/3)Mn(1/3)O(2)) by an electrochemical oxidation/reduction process in an electrochemical cell to study a reaction mechanism in detail before and after charging across a voltage plateau at 4.5 V vs Li/Li(+). Changes of the bulk and surface structures are examined by synchrotron X-ray diffraction (SXRD), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary ion mass spectroscopy (SIMS). SXRD data show that simultaneous oxygen and lithium removal at the voltage plateau upon initial charge causes the structural rearrangement, including a cation migration process from metal to lithium layers, which is also supported by XAS. This is consistent with the mechanism proposed in the literature related to the Li-excess manganese layered oxides. Oxygen removal associated with the initial charge on the high voltage plateau causes oxygen molecule generation in the electrochemical cells. The oxygen molecules in the cell are electrochemically reduced in the subsequent discharge below 3.0 V, leading to the extra capacity. Surface analysis confirms the formation of the oxygen containing species, such as lithium carbonate, which accumulates on the electrode surface. The oxygen containing species are electrochemically decomposed upon second charge above 4.0 V. The results suggest that, in addition to the conventional transition metal redox reactions, at least some of the reversible capacity for the Li-excess manganese layered oxides originates from the electrochemical redox reaction of the oxygen molecules at the electrode surface.

  20. Radioactive 63Ni in biological research

    International Nuclear Information System (INIS)

    Kasprzak, K.S.; Sunderman, F.W. Jr.

    1979-01-01

    Applications of 63 Ni in biological research are reviewed, with emphasis upon recent investigations of nickel metabolism and toxicology in experimental animals. The radiochemistry of 63 Ni is summarized, including consideration of the preparation of certain 63 Ni compounds (e.g. 63 Ni(CO) 4 and 63 Ni 3 S 2 ) that are of current interest in toxicology, teratology and cancer research. Practical guidance is given regarding the detection and determination of 63 Ni in biological materials by autoradiography and liquid scintillation spectrometry. (author)

  1. Superstructure of NiAs

    International Nuclear Information System (INIS)

    Nozue, Tatsuhiro; Kobayashi, Hisao; Kamimura, Takashi; Yamaguchi, Yasuo

    2001-01-01

    The structural transition in NiAs was studied by neutron diffraction on the single crystalline sample. The crystal structure of NiAs has been reported to be bottom-centered orthorhombic with Cmc2 1 symmetry (niccolite-type). The measurement of temperature dependence of the powder X-ray diffraction revealed that NiAs undergoes a structural transition to the NiAs-type at T t =335 K. In present neutron diffraction experiment at room temperature, we observed the reflections indexed on the basis of the orthorhombic unit cell. The intensities of these reflections are qualitatively explained in terms of the niccolite-type structure with taking account of three domain structures, except for the weak reflections indexed as (001), (003) and (012). Then, the intensities of (001), (002) and (004) reflections were measured in temperature range of 20 to 420 K. The temperature dependences of (002) and (004) reflections qualitatively agree with those of the calculated intensities using the atomic positions of niccolite-type structure. However, the temperature dependence of (001) reflection shows the anomaly around T t , which suggests the symmetry of crystal structure of NiAs is not the Cmc2 1 symmetry. (author)

  2. Thermal stability and electrical characteristics of NiSi films with electroplated Ni(W) alloy

    International Nuclear Information System (INIS)

    Xin Yuhang; Hu Anmin; Li Ming; Mao Dali

    2011-01-01

    In this study, an electroplating method to deposited Ni, crystalline NiW(c-NiW), amorphous NiW (a-NiW) films on P-type Si(1 0 0) were used to form Ni-silicide (NiSi) films. After annealed at various temperatures, sheet resistance of Ni/Cu, c-NiW/Cu and a-NiW/Cu was measured to observe the performance of those diffusion barrier layers. With W added in the barrier layer, the barrier performance was improved. The results of XRD and resistance measurement of the stacked Si/Ni(W)/Cu films reveal that Cu atom could diffuse through Ni barrier layer at 450 deg. C, could diffuse through c-NiW at 550 deg. C, but could hardly diffuse through a-NiW barrier layer. c-NiW layer has a better barrier performance than Ni layer, meanwhile the resistance is lower than a-NiW layer.

  3. Giant magnetoimpedance effect in sputtered single layered NiFe film and meander NiFe/Cu/NiFe film

    International Nuclear Information System (INIS)

    Chen, L.; Zhou, Y.; Lei, C.; Zhou, Z.M.; Ding, W.

    2010-01-01

    Giant magnetoimpedance (GMI) effect on NiFe thin film is very promising due to its application in developing the magnetic field sensors with highly sensitivity and low cost. In this paper, the single layered NiFe thin film and NiFe/Cu/NiFe thin film with a meander structure are prepared by the MEMS technology. The influences of sputtering parameters, film structure and conductor layer width on GMI effect in NiFe single layer and meander NiFe/Cu/NiFe film are investigated. Maximum of the GMI ratio in single layer and sandwich film is 5% and 64%, respectively. The results obtained are useful for developing the high-performance magnetic sensors based on NiFe thin film.

  4. High Ni in Archean tholeiites

    Science.gov (United States)

    Arndt, Nicholas T.

    1991-03-01

    Archean tholeiites generally have higher Ni, Co. Cr and Fe than most younger tholeiites with similar MgO contents. These characteristics cannot be attributed to high T or P batch melting in the Archean mantle, because, although such melts are enriched in siderophile elements, they have higher MgO than normal tholeiites. As primary melts fractionate to lower MgO, they lose Ni, Co and Cr. Nor can the differences between Archean and younger tholeiites be attributed to secular variation in mantle compositions because Archean komatiites have Ni, Co, Cr contents similar to modern (Gorgona) komatiites. It is suggested that the high siderophile element content of Archean tholeiites results from mixing of either komatiitic with basaltic magmas, as might occur in an ascending, melting mantle plume or column, or of komatiite and more evolved rocks, as may take place when komatiite encounters and assimilates crustal rocks.

  5. Relation between shape of Ni-particles and Ni migration in Ni-YSZ electrodes – a hypothesis

    DEFF Research Database (Denmark)

    Mogensen, Mogens Bjerg; Hauch, Anne; Sun, Xiufu

    2016-01-01

    This is an attempt to explain a phenomenon of total depletion of Ni next to the electrolyte in Ni-YSZ cermet electrodes in solid oxide electrolysis cells during electrolysis at high current density/overpotential. Intuitively, we would think that Ni would always migrate down the steam partial...

  6. Ni-NiO core-shell inverse opal electrodes for supercapacitors.

    Science.gov (United States)

    Kim, Jae-Hun; Kang, Soon Hyung; Zhu, Kai; Kim, Jin Young; Neale, Nathan R; Frank, Arthur J

    2011-05-14

    A general template-assisted electrochemical approach was used to synthesize three-dimensional ordered Ni core-NiO shell inverse opals (IOs) as electrodes for supercapacitors. The Ni-NiO IO electrodes displayed pseudo-capacitor behavior, good rate capability and cycling performance. © The Royal Society of Chemistry 2011

  7. CONFIGURATION-INTERACTION IN NI METAL AND NI-ALLOYS AND HIGH-ENERGY SPECTROSCOPY

    NARCIS (Netherlands)

    TANAKA, A; JO, T; SAWATZKY, GA

    We discuss the electronic state of Ni atoms in Ni metal and of Ni impurity in Cu and Au metals from the viewpoint of 3d configuration interaction (CI) using the Anderson impurity model including atomic multiplets. On the basis of the discussion, we give an interpretation for the Ni 2p-core X-ray

  8. Iodine capture by Hofmann-type clathrate Ni(II)(pz)[Ni(II)(CN)_4

    International Nuclear Information System (INIS)

    Massasso, Giovanni; Long, Jerome; Haines, Julien; Devautour-Vinot, Sabine; Maurin, Guillaume; Larionova, Joulia; Guerin, Christian; Guari, Yannick; Grandjean, Agnes; Onida, Barbara; Donnadieu, Bruno

    2014-01-01

    The thermally stable Hofmann-type clathrate framework Ni(II)(pz)[Ni(II)(CN)_4] (pz = pyrazine) was investigated for the efficient and reversible sorption of iodine (I_2) in the gaseous phase and in solution with a maximum adsorption capacity of 1 mol of I_2 per 1 mol of Ni(II)pz)[Ni(II)(CN)_4] in solution. (authors)

  9. Density functional theory study of the interfacial properties of Ni/Ni3Si eutectic alloy

    International Nuclear Information System (INIS)

    Zhao, Yuhong; Wen, Zhiqin; Hou, Hua; Guo, Wei; Han, Peide

    2014-01-01

    In order to clarify the heterogeneous nucleation potential of α-Ni grains on Ni 3 Si particles in Ni-Ni 3 Si eutectic alloy, the work of adhesion (W ad ), fracture toughness (G), interfacial energy (γ i ), and electronic structure of the index (0 0 1), (1 1 0) and (1 1 1) Ni/Ni 3 Si interfaces with two different cohesive manners are investigated using first-principles method based on density functional theory. Results indicate that the center site stacking sequence (OM) is preferable to continue the natural stacking sequence of bulk Ni and Ni 3 Si. Since OM stacking interfaces have larger W ad , G and γ i than that of the top site stacking (OT) interfaces. The Ni/Ni 3 Si (1 1 0) interface with OM stacking has the best mechanical properties. Therefore, the formation of this interface can improve the stability, ductility and fracture toughness of Ni-Ni 3 Si eutectic alloy. The calculated interfacial energy of Ni/Ni 3 Si (0 0 1), (1 1 0) and (1 1 1) interfaces with OM stacking proves the excellent nucleation potency of Ni 3 Si particles for α-Ni phase from thermodynamic considerations. Besides, the electronic structure and chemical bonding of (1 1 0) interface with OM stacking are also discussed.

  10. Density of Liquid Ni-Cr Alloy

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The density of liquid Ni-Cr alloy was measured by a modified sessile drop method. The density of liquid Ni-Cr alloywas found to decrease with increasing temperature and Cr concentration in the alloy. The molar volume of liquidNi-Cr alloy increases with increasing the Cr concentration in the alloy. The molar volume of Ni-Cr alloy determinedin the present work shows a positive deviation from the linear molar volume.

  11. Laser alloyed Al-Ni-Fe coatings

    CSIR Research Space (South Africa)

    Pityana, SL

    2008-10-01

    Full Text Available The aim of this work was to produce crack-free thin surface layers consisting of binary (Al-Ni, Al-Fe) and ternary (Al-Ni-Fe) intermetallic phases by means of a high power laser beam. The laser surface alloying was carried out by melting Fe and Ni...

  12. Determination of Cr(VI) in wood specimen: A XANES study at the Cr K edge

    International Nuclear Information System (INIS)

    Strub, E.; Plarre, R.; Radtke, M.; Reinholz, U.; Riesemeier, H.; Schoknecht, U.; Urban, K.; Juengel, P.

    2008-01-01

    The content of chromium in different oxidation states in chromium-treated wood was studied with XANES (X-ray absorption near-edge structure) measurements at the Cr K absorption edge. It could be shown that wood samples treated with Cr(VI) (pine and beech) did still contain a measurable content of Cr(VI) after four weeks conditioning. If such wood samples were heat exposed for 2 h with 135 deg. C prior conditioning, Cr(VI) was no longer detected by XANES, indicating a complete reduction to chromium (III)

  13. Ca and S K-edge XANES studies of calcite-acid mine water interactions

    Energy Technology Data Exchange (ETDEWEB)

    Myneni, S.C.B.; Perera, R.C.C. [Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    Heavy metal-rich acidic waters (SO{sub 4}{sup 2{minus}}, AsO{sub 4}{sup 3{minus}}, SeO{sub 4}{sup 2{minus}}, Fe{sup 2+}, Fe{sup 3+}, Al{sup 3+}, Cu{sup 2+}, Zn{sup 2+}, Cd{sup 2+}) and related ochreous coatings are common around abandoned sulfide and coal mine sites. This is mainly caused by the natural weathering of pyrite (FeS{sub 2}), arsenopyrite (FeAsS), and other metal sulfide containing shales. Acid generation in the case of pyrite can be explained by a general reaction: FeS{sub 2} + 3.5 O{sub 2} + H{sub 2}O {leftrightarrow} Fe{sup 2+} + SO{sub 4}{sup 2{minus}} + 2H{sup +}. Also, these low pH waters interact with the soils, and mobilize their soluble elements. One of the common remediation strategies is to allow these acid waters to react with limestone (CaCO{sub 3}-rich rock) and neutralize the pH and precipitate out soluble metals. Yet, the associated problem is the precipitation of Fe and Al oxides and hydroxy sulfate coatings on limestone surfaces, which block calcite reactive sites, and make them ineffective a few hours after initiation of treatment. The main objectives of this research are to examine: (1) the chemistry of limestone surface coatings, and (2) their toxic metal uptake and the conditions that inhibit their formation. Previous molecular studies using X-ray diffraction, and vibrational spectroscopy on limestone surface coatings (sampled from Athens, OH) indicate that the surface-most layer (the layer in contact with water) is composed of schwertmannite (Fe(III)-hydroxy sulfate) like phases. However, white, X-ray amorphous; Al-, sulfate- and carbonate-rich; and Ca-poor phases appeared at the interface between the limestone and the iron oxide coatings. The structure, morphology, and coordination chemistry of component major and trace elements of these white precipitate phases have not previously been examined.

  14. Electronic structure effects on B K-edge XANES of minerals

    Czech Academy of Sciences Publication Activity Database

    Šipr, Ondřej; Rocca, F.

    2010-01-01

    Roč. 17, č. 3 (2010), s. 367-373 ISSN 0909-0495 R&D Projects: GA ČR GA202/08/0106 Institutional research plan: CEZ:AV0Z10100521 Keywords : structure * potentials * boron Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.335, year: 2010

  15. Photoionization of the Fe lons: Structure of the K-Edge

    Science.gov (United States)

    Palmeri, P.; Mendoza, C.; Kallman, T.; Bautista, M.; White, Nicholas E. (Technical Monitor)

    2002-01-01

    X-ray absorption and emission features arising from the inner-shell transitions in iron are of practical importance in astrophysics due to the Fe cosmic abundance and to the absence of traits from other elements in the nearby spectrum. As a result, the strengths and energies of such features can constrain the ionization stage, elemental abundance, and column density of the gas in the vicinity of the exotic cosmic objects, e.g. active galactic nuclei (AGN) and galactic black hole candidates. Although the observational technology in X-ray astronomy is still evolving and currently lacks high spectroscopic resolution, the astrophysical models have been based on atomic calculations that predict a sudden and high step-like increase of the cross section at the K-shell threshold (see for instance. New Breit-Pauli R-matrix calculations of the photoionization cross section of the ground states of Fe XVII in the region near the K threshold are presented. They strongly support the view that the previously assumed sharp edge behaviour is not correct. The latter has been caused by the neglect of spectator Auger channels in the decay of the resonances converging to the K threshold. These decay channels include the dominant KLL channels and give rise to constant widths (independent of n). As a consequence, these series display damped Lorentzian components that rapidly blend to impose continuity at threshold, thus reformatting the previously held picture of the edge. Apparent broadened iron edges detected in the spectra of AGN and galactic black hole candidates seem to indicate that these quantum effects may be at least partially responsible for the observed broadening.

  16. Oxygen K-edge absorption spectra of small molecules in the gas phase

    Energy Technology Data Exchange (ETDEWEB)

    Yang, B.X.; Kirz, J.; Sham, T.K.

    1986-01-01

    The absorption spectra of O/sub 2/, CO, CO/sub 2/ and OCS have been recorded in a transmission mode in the energy region from 500 to 950 eV. Recent observation of EXAFS in these molecules is confirmed in this study. 7 refs., 3 figs.

  17. Oxygen K-edge absorption spectra of small molecules in the gas phase

    International Nuclear Information System (INIS)

    Yang, B.X.; Kirz, J.; Sham, T.K.

    1986-01-01

    The absorption spectra of O 2 , CO, CO 2 and OCS have been recorded in a transmission mode in the energy region from 500 to 950 eV. Recent observation of EXAFS in these molecules is confirmed in this study. 7 refs., 3 figs

  18. X-Ray Absorption in Carbon Ions Near the K-Edge

    Science.gov (United States)

    Hasoglu, M. F.; Abdel-Naby, Sh. A.; Nikolic, D.; Gorczyca, T. W.; McLaughlin, B. M.

    2007-06-01

    K-shell photoabsorption calculations are important for determining the elemental abundances of the interstellar medium (ISM) from observed X-ray absorption spectra. Previously, we performed reliable K-shell photoabsorption calculations for oxygen [1-3] and neon [4,5] ions. We have executed detailed R-matrix calculations for carbon ions, including Auger broadening, by using an optical potential, and relaxation effects, by using pseudoorbitals with the necessary pseudoresonance elimination. This work was funded by NASA's Astronomy Physics Research and Analysis (APRA) and Solar and Heliospheric Physics (SHP) Supporting Research and Technology (SR&T) programs. References: [1] T. W. Gorczyca and B. M. McLaughlin. J Phys. B. 33 L859 (2000) [2] A. M. Juett, et al., Astrophys. J. 612, 308 (2004) [3] J. Garcia et al., Astrophys. J. Supp. S. 158, 68 (2005) [4] T. W. Gorczyca., Phys. Rev. A. 61, 024702 (2000) [5] A. M. Juett, et al., Astrophys. J. 648, 1066 (2006)

  19. Characterization of Boroaluminosilicate Glass Surface Structures by B k-edge NEXAFS

    Energy Technology Data Exchange (ETDEWEB)

    R Schaut; R Lobello; K Mueller; C Pantano

    2011-12-31

    Techniques traditionally used to characterize bulk glass structure (NMR, IR, etc.) have improved significantly, but none provide direct measurement of local atomic coordination of glass surface species. Here, we used Near-Edge X-ray Absorption Fine Structure (NEXAFS) as a direct measure of atomic structure at multicomponent glass surfaces. Focusing on the local chemical structure of boron, we address technique-related issues of calibration, quantification, and interactions of the beam with the material. We demonstrate that beam-induced adsorption and structural damage can occur within the timeframe of typical measurements. The technique is then applied to the study of various fracture surfaces where it is shown that adsorption and reaction of water with boroaluminosilicate glass surfaces induces structural changes in the local coordination of boron, favoring B{sup IV} species after reaction.

  20. Spatially resolved sulfur K-edge XANES spectroscopy of wheat leaves infected by Puccinia triticina

    International Nuclear Information System (INIS)

    Lichtenberg, H; Prange, A; Hormes, J; Steiner, U; Oerke, E-C

    2009-01-01

    In this study, wheat leaves infected with brown rust, a plant disease of serious economic concern caused by the fungus Puccinia triticina, were investigated using spatially resolved XANES (X-ray Absorption Near Edge Structure) spectroscopy at the sulfur K-absorption edge.

  1. Spatially resolved sulfur K-edge XANES spectroscopy of wheat leaves infected by Puccinia triticina

    Energy Technology Data Exchange (ETDEWEB)

    Lichtenberg, H; Prange, A; Hormes, J [CAMD, Louisiana State University, 6980 Jefferson Hwy, Baton Rouge, LA 70806 (United States); Steiner, U; Oerke, E-C, E-mail: lichtenberg@lsu.ed [INRES-Phytomedicine, University of Bonn, Nussallee 9, 53115 Bonn (Germany)

    2009-11-15

    In this study, wheat leaves infected with brown rust, a plant disease of serious economic concern caused by the fungus Puccinia triticina, were investigated using spatially resolved XANES (X-ray Absorption Near Edge Structure) spectroscopy at the sulfur K-absorption edge.

  2. Fe K-EDGE X-RAY ABSORPTION SPECTROSCOPY OF SILICATE MINERALS AND GLASSES

    OpenAIRE

    Binsted , N.; Greaves , G.; Henderson , C.

    1986-01-01

    Structural parameters determined for crystalline iron, fayalite and aegirine agree closely with X-ray crystallograhic data. A glass of NaFeSi2O6 composition has Fe predominantly present as Fe3+ in tetrahedral coordination i.e. as a network former. CaFeSiO4 and CaFeSi2O6 glasses have about 1/3 of the total Fe in octahedral coordination i.e. as a network modifier.

  3. K-edge x-ray fluorescence analysis for actinide and heavy elements solution concentration measurements

    International Nuclear Information System (INIS)

    Camp, D.C.

    1984-07-01

    Advantages of using Co-57 as an exciter for K XRFA include: a compact design that requires no x-ray tubes; the exciter-detector assembly locates remote from support electronics; on-line, at-line, or off-line configurations for monitor/measurements; systems that can be run by semi-skilled technicians, once programmed; and operated via remote terminals with results sent to control rooms; heavy element concentrations that are measurable thru industrial pipes; independent of minor changes in solution matrix or source half life with concentration results reported in near-real-time; a dynamic range of measurable concentrations that is greater than 10 4 ; measurement times that are reasonable even at 1 gram/liter; and for nuclear safeguards, it provides the <0.5% accuracy required by DOE for the accountability of U, Pu, or both, once the system is calibrated

  4. Site-selective photofragmentation of chlorinated polymeric films observed around the chlorine K-edge

    Energy Technology Data Exchange (ETDEWEB)

    Arantes, C., E-mail: csilva@inmetro.gov.br [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Tecnologia, Xerém 25250-020, Duque de Caxias, RJ (Brazil); Mendes, L.A.V. [Instituto de Física, Universidade Federal da Bahia, Ondina, 40210-340 Salvador, BA (Brazil); Pinho, R.R. [Departamento de Física-ICE, Universidade Federal de Juiz de Fora, Campus Universitário, 36036-330 Juiz de Fora, MG (Brazil); Ferreira, M. [PEMM/COPPE, Universidade Federal do Rio de Janeiro, Cidade Universitária, Ilha do Fundão, 21941-972 Rio de Janeiro, RJ (Brazil); Souza, G.G.B. de; Rocha, A.B.; Rocco, M.L.M. [Instituto de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, Ilha do Fundão, 21941-909 Rio de Janeiro, RJ (Brazil)

    2013-03-29

    Highlights: ► PVC and PVDC were studied by PSID and NEXAFS techniques at the Chlorine 1s-edge. ► PVC film presented isotope ratio of 3:1 in the PSID spectrum. ► Cl{sup +} ion yield curves reproduce the photoabsorption spectrum for both polymers. ► Site-selectivity of C–Cl bond breaking due to an efficient spectator Auger decay. - Abstract: Photon stimulated ion desorption (PSID) and Near-edge X-ray absorption fine structure (NEXAFS) studies have been performed on poly(vinyl chloride) (PVC) and poly(vinyl dichloride) (PVDC) around the chlorine 1s-edge. Experiments were performed using a synchrotron source operating in the single-bunch mode and a time-of-flight mass spectrometry for ion analysis. Cl{sup +} ion yields, as a function of the photon energy, reproduce the photoabsorption spectrum, showing significant increase at the 1s-resonance. Edge-jump ratios, defined as the ratio between edge-jumps (intensity ratio of the yields between above and below the absorption edge) of two different transitions, for Cl{sup +} ion yields were much higher than the equivalent electron yields, indicating site-selectivity in C–Cl bond breaking for both polymers, as a result of efficient spectator Auger decay. The expected isotope ratio of 3:1 for chlorine was measured for PVC. The interpretation of the NEXAFS spectrum was assisted by quantum mechanical calculations at a multireference perturbation theory level.

  5. The X-ray photoabsorption spectrum of potassium near the K-edge

    International Nuclear Information System (INIS)

    Azuma, Y.; Berry, H.G.; Cowan, P.L.; Gemmell, D.S.; LeBrun, T.

    1996-01-01

    The authors have used a heat-pipe target in an X-ray beam to obtain photoabsorption spectra of potassium at the K- and KM-edges, in the photon energy range 3,600 to 3,650 eV. Preliminary identifications of most of the peaks observed are made using Dirac Hartree-Fock calculations. They compare these results with those obtained previously in closed-shell rare gas absorption spectra

  6. Quantitative spectral K-edge imaging in preclinical photon-counting x-ray computed tomography.

    Science.gov (United States)

    de Vries, Anke; Roessl, Ewald; Kneepkens, Esther; Thran, Axel; Brendel, Bernhard; Martens, Gerhard; Proska, Roland; Nicolay, Klaas; Grüll, Holger

    2015-04-01

    The objective of this study was to investigate the feasibility and the accuracy of spectral computed tomography (spectral CT) to determine the tissue concentrations and localization of high-attenuation, iodine-based contrast agents in mice. Iodine tissue concentrations determined with spectral CT are compared with concentrations measured with single-photon emission computed tomography (SPECT) and inductively coupled plasma mass spectrometry (ICP-MS). All animal procedures were performed according to the US National Institutes of Health principles of laboratory animal care and were approved by the ethical review committee of Maastricht, The Netherlands. Healthy Swiss mice (n = 4) were injected with an iodinated emulsion radiolabeled with indium as multimodal contrast agent for CT and SPECT. The CT and SPECT scans were acquired using a dedicated small-animal SPECT/CT system. Subsequently, scans were performed with a preclinical spectral CT scanner equipped with a photon-counting detector and 6 energy threshold levels. Quantitative data analysis of SPECT and spectral CT scans were obtained using 3-dimensional volumes-of-interest drawing methods. The ICP-MS on dissected organs was performed to determine iodine uptake per organ and was compared with the amounts determined from spectral CT and SPECT. Iodine concentrations obtained with image-processed spectral CT data correlated well with data obtained either with noninvasive SPECT imaging (slope = 0.96, r = 0.75) or with ICP-MS (slope = 0.99, r = 0.89) in tissue samples. This preclinical proof-of-concept study shows the in vivo quantification of iodine concentrations in tissues using spectral CT. Our multimodal imaging approach with spectral CT and SPECT using radiolabeled iodinated emulsions together with ICP-based quantification allows a direct comparison of all methods. Benchmarked against ICP-MS data, spectral CT in the present implementation shows a slight underestimation of organ iodine concentrations compared with SPECT but with a more narrow distribution. This slight deviation is most likely caused by experimental rather than technical issues.

  7. Ca and S K-edge XANES studies of calcite-acid mine water interactions

    International Nuclear Information System (INIS)

    Myneni, S.C.B.; Perera, R.C.C.

    1997-01-01

    Heavy metal-rich acidic waters (SO 4 2- , AsO 4 3- , SeO 4 2- , Fe 2+ , Fe 3+ , Al 3+ , Cu 2+ , Zn 2+ , Cd 2+ ) and related ochreous coatings are common around abandoned sulfide and coal mine sites. This is mainly caused by the natural weathering of pyrite (FeS 2 ), arsenopyrite (FeAsS), and other metal sulfide containing shales. Acid generation in the case of pyrite can be explained by a general reaction: FeS 2 + 3.5 O 2 + H 2 O ↔ Fe 2+ + SO 4 2- + 2H + . Also, these low pH waters interact with the soils, and mobilize their soluble elements. One of the common remediation strategies is to allow these acid waters to react with limestone (CaCO 3 -rich rock) and neutralize the pH and precipitate out soluble metals. Yet, the associated problem is the precipitation of Fe and Al oxides and hydroxy sulfate coatings on limestone surfaces, which block calcite reactive sites, and make them ineffective a few hours after initiation of treatment. The main objectives of this research are to examine: (1) the chemistry of limestone surface coatings, and (2) their toxic metal uptake and the conditions that inhibit their formation. Previous molecular studies using X-ray diffraction, and vibrational spectroscopy on limestone surface coatings (sampled from Athens, OH) indicate that the surface-most layer (the layer in contact with water) is composed of schwertmannite (Fe(III)-hydroxy sulfate) like phases. However, white, X-ray amorphous; Al-, sulfate- and carbonate-rich; and Ca-poor phases appeared at the interface between the limestone and the iron oxide coatings. The structure, morphology, and coordination chemistry of component major and trace elements of these white precipitate phases have not previously been examined

  8. Doping and bond length contributions to Mn K-edge shift in La1 ...

    Indian Academy of Sciences (India)

    ... corresponds to the shift in the center of gravity of the unoccupied Mn 4-band contributing to the Mn K-absorption edge region. This correspondence is then used to separate the doping and size contributions to the edge shift due to variation in the number of electrons in valence band and Mn-O bond lengths, respectively, ...

  9. Chemical shift of Mn and Cr K-edges in X-ray absorption ...

    Indian Academy of Sciences (India)

    particularly on Mn and Cr compounds (Ghatikar et al 1977;. Padalia and Nayak 1977; ... conventional X-ray sources and hence may lack reliability. 2. Experimental ..... with the result obtained by Hinge et al (2011) for Cu com- pounds and is ... Chem. 84 2200. Nietubyc R, Sobczak E and Attenkofer K E 2001 J. Alloys Compd.

  10. Resonant X-ray Scattering of carbonyl sulfide at the sulfur K edge

    International Nuclear Information System (INIS)

    Journel, Loïc; Marchenko, Tatiana; Guillemin, Renaud; Kawerk, Elie; Simon, Marc; Kavčič, Matjaž; Žit-nik, Matjaž; Bučar, Klemen; Bohinc, Rok

    2015-01-01

    New results on free OCS molecules have been obtained using Resonant X-ray Inelastic Scattering spectroscopy. A deconvolution algorithm has been applied to improve the energy resolution spectra of which we can extract detailed information on nuclear dynamics in the system. (paper)

  11. Resonant X-ray Scattering of carbonyl sulfide at the sulfur K edge

    OpenAIRE

    Journel , Loïc; Marchenko , Tatiana; Guillemin , Renaud; Kawerk , Elie; Kavčič , Matjaž; Žit-nik , Matjaž; Bučar , Klemen; Bohinc , Rok; Simon , Marc

    2015-01-01

    International audience; New results on free OCS molecules have been obtained using Resonant X-ray Inelastic Scattering spectroscopy. A deconvolution algorithm has been applied to improve the energy resolution spectra of which we can extract detailed information on nuclear dynamics in the system.

  12. X-ray attenuation around K-edge of Zr, Nb, Mo and Pd: A ...

    Indian Academy of Sciences (India)

    of 155 eV at 5.9 keV and had a 0.025 mm thick berillium window. The measuring ... A Linux-based FREEDOM software. [28], developed ..... Base (1999). [27] C M Lederer and V S Shirly, Table of isotopes (Wiley Interscience, New York, 1978).

  13. A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms system.

    Science.gov (United States)

    Donval, Gaël; Moreau, Philippe; Danet, Julien; Larbi, Séverine Jouanneau-Si; Bayle-Guillemaud, Pascale; Boucher, Florent

    2017-01-04

    Most of the recent developments in EELS modelling has been focused on getting a better agreement with measurements. Less work however has been dedicated to bringing EELS calculations to larger structures that can more realistically describe actual systems. The purpose of this paper is to present a hybrid approach well adapted to calculating the whole set of localised EELS core-loss edges (at the XAS level of theory) on larger systems using only standard tools, namely the WIEN2k and VASP codes. We illustrate the usefulness of this method by applying it to a set of amorphous silicon structures in order to explain the flattening of the silicon L 2,3 EELS edge peak at the onset. We show that the peak flattening is actually caused by the collective contribution of each of the atoms to the average spectrum, as opposed to a flattening occurring on each individual spectrum. This method allowed us to reduce the execution time by a factor of 3 compared to a usual-carefully optimised-WIEN2k calculation. It provided even greater speed-ups on more complex systems (interfaces, ∼300 atoms) that will be presented in a future paper. This method is suited to calculate all the localized edges of all the atoms of a structure in a single calculation for light atoms as long as the core-hole effects can be neglected.

  14. Linear and nonlinear optical absorption coefficients in GaAs/Ga{sub 1-x}Al{sub x}As concentric double quantum rings: Effects of hydrostatic pressure and aluminum concentration

    Energy Technology Data Exchange (ETDEWEB)

    Baghramyan, H.M. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Barseghyan, M.G., E-mail: mbarsegh@ysu.am [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Kirakosyan, A.A. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Restrepo, R.L. [Escuela de Ingenieria de Antioquia, AA 7516 Medellin (Colombia); Duque, C.A. [Instituto de Fisica, Universidad de Antioquia, AA 1226 Medellin (Colombia)

    2013-02-15

    The linear and nonlinear intra-band optical absorption coefficients in GaAs/Ga{sub 1-x}Al{sub x}As two-dimensional concentric double quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and aluminum concentration the energies of the ground (n=1,l=0) and the first excited state (n=2,l=1) have been found using the effective mass approximation and the transfer matrix formalism. The energies of these states and the corresponding threshold energy of the intra-band optical transitions are examined as a function of hydrostatic pressure and aluminum concentration for different sizes of the structure. We also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as functions of the incident photon energy for different values of hydrostatic pressure, aluminum concentration, sizes of the structure, and incident optical intensity. Its is found that the effects of the hydrostatic pressure and the aluminum concentration lead to a shifting of the resonant peaks of the intra-band optical spectrum. - Highlights: Black-Right-Pointing-Pointer Linear and nonlinear intra-band absorption in quantum rings. Black-Right-Pointing-Pointer Threshold energy strongly depends on the hydrostatic pressure. Black-Right-Pointing-Pointer Threshold energy strongly depends on the stoichiometry and sizes of structure. Black-Right-Pointing-Pointer Optical absorption is affected by the incident optical intensity.

  15. Nanostructure analysis of friction welded Pd-Ni-P/Pd-Cu-Ni-P metallic glass interface

    International Nuclear Information System (INIS)

    Ohkubo, T.; Shoji, S.; Kawamura, Y.; Hono, K.

    2005-01-01

    Friction welded Pd 40 Ni 40 P 20 /Pd 40 Cu 30 Ni 10 P 20 metallic glass interface has been characterized by energy filtering transmission electron microscopy. The interface is fully amorphous with a gradual compositional change of Cu and Ni in the range of 30 nm. By annealing above T g , the interdiffusion of Cu and Ni progressed in the supercooled liquid region, and the crystallization occurred from the Pd 40 Ni 40 P 20 glass

  16. Study of dipole interaction in micron-width NiFe/Cu/NiFe/NiO wire using exchange anisotropy

    International Nuclear Information System (INIS)

    Kimura, Takashi; Itagaki, Yoshio; Wakaya, Fujio; Gamo, Kenji

    2001-01-01

    The dipole interaction between a NiFe layer pinned by a NiO and a free NiFe layer in a micron-wide NiFe/Cu/NiFe/NiO wire was studied by changing the direction of the exchange bias from the NiO layer. The effect of the dipole interaction when the exchange bias was perpendicular to the wire axis was larger than that when the exchange bias was parallel to the wire axis, and was consistently explained by the stray field caused by the magnetic charges of the pinned layer. It was demonstrated that this method, using exchange anisotropy, is useful for investigating the dipole interaction between ferromagnetic materials separated by a nonmagnetic material in small-scale magnetic multilayers. [copyright] 2001 American Institute of Physics

  17. Effects of Ni particle morphology on cell performance of Na/NiCl2 battery

    Science.gov (United States)

    Kim, Mangi; Ahn, Cheol-Woo; Hahn, Byung-Dong; Jung, Keeyoung; Park, Yoon-Cheol; Cho, Nam-ung; Lee, Heesoo; Choi, Joon-Hwan

    2017-11-01

    Electrochemical reaction of Ni particle, one of active cathode materials in the Na/NiCl2 battery, occurs on the particle surface. The NiCl2 layer formed on the Ni particle surface during charging can disconnect the electron conduction path through Ni particles because the NiCl2 layer has very low conductivity. The morphology and size of Ni particles, therefore, need to be controlled to obtain high charge capacity and excellent cyclic retention. Effects of the Ni particle size on the cell performance were investigated using spherical Ni particles with diameters of 0.5 μm, 6 μm, and 50 μm. The charge capacities of the cells with spherical Ni particles increased when the Ni particle size becomes smaller because of their higher surface area but their charge capacities were significantly decreased with increasing cyclic tests owing to the disconnection of electron conduction path. The inferior cyclic retention of charge capacity was improved using reticular Ni particles which maintained the reliable connection for the electron conduction in the Na/NiCl2 battery. The charge capacity of the cell with the reticular Ni particles was higher than the cell with the small-sized spherical Ni particles approximately by 26% at 30th cycle.

  18. One dimensional motion of interstitial clusters and void growth in Ni and Ni alloys

    Science.gov (United States)

    Yoshiie, T.; Ishizaki, T.; Xu, Q.; Satoh, Y.; Kiritani, M.

    2002-12-01

    One dimensional (1-D) motion of interstitial clusters is important for the microstructural evolution in metals. In this paper, the effect of 2 at.% alloying with elements Si (volume size factor to Ni: -5.81%), Cu (7.18%), Ge (14.76%) and Sn (74.08%) in Ni on 1-D motion of interstitial clusters and void growth was studied. In neutron irradiated pure Ni, Ni-Cu and Ni-Ge, well developed dislocation networks and voids in the matrix, and no defects near grain boundaries were observed at 573 K to a dose of 0.4 dpa by transmission electron microscopy. No voids were formed and only interstitial type dislocation loops were observed near grain boundaries in Ni-Si and Ni-Sn. The reaction kinetics analysis which included the point defect flow into planar sink revealed the existence of 1-D motion of interstitial clusters in Ni, Ni-Cu and Ni-Ge, and lack of such motion in Ni-Si and Ni-Sn. In Ni-Sn and Ni-Si, the alloying elements will trap interstitial clusters and thereby reduce the cluster mobility, which lead to the reduction in void growth.

  19. First-principles calculations for the elastic properties of Ni-base model superalloys: Ni/Ni3Al multilayers

    International Nuclear Information System (INIS)

    Yun-Jiang, Wang; Chong-Yu, Wang

    2009-01-01

    A model system consisting of Ni[001](100)/Ni 3 Al[001](100) multi-layers are studied using the density functional theory in order to explore the elastic properties of single crystal Ni-based superalloys. Simulation results are consistent with the experimental observation that rafted Ni-base superalloys virtually possess a cubic symmetry. The convergence of the elastic properties with respect to the thickness of the multilayers are tested by a series of multilayers from 2γ'+2γ to 10γ'+10γ atomic layers. The elastic properties are found to vary little with the increase of the multilayer's thickness. A Ni/Ni 3 Al multilayer with 10γ'+10γ atomic layers (3.54 nm) can be used to simulate the mechanical properties of Ni-base model superalloys. Our calculated elastic constants, bulk modulus, orientation-dependent shear modulus and Young's modulus, as well as the Zener anisotropy factor are all compatible with the measured results of Ni-base model superalloys R1 and the advanced commercial superalloys TMS-26, CMSX-4 at a low temperature. The mechanical properties as a function of the γ' phase volume fraction are calculated by varying the proportion of the γ and γ' phase in the multilayers. Besides, the mechanical properties of two-phase Ni/Ni 3 Al multilayer can be well predicted by the Voigt–Reuss–Hill rule of mixtures. (classical areas of phenomenology)

  20. Probing ion-specific effects on aqueous acetate solutions: Ion pairing versus water structure modifications.

    Science.gov (United States)

    Petit, Tristan; Lange, Kathrin M; Conrad, Gerrit; Yamamoto, Kenji; Schwanke, Christoph; Hodeck, Kai F; Dantz, Marcus; Brandenburg, Tim; Suljoti, Edlira; Aziz, Emad F

    2014-05-01

    The effect of monovalent cations (Li(+), K(+), NH4 (+), Na(+)) on the water structure in aqueous chloride and acetate solutions was characterized by oxygen K-edge X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy, and resonant inelastic X-ray scattering (RIXS) of a liquid microjet. We show ion- and counterion dependent effects on the emission spectra of the oxygen K-edge, which we attribute to modifications of the hydrogen bond network of water. For acetates, ion pairing with carboxylates was also probed selectively by XAS and RIXS. We correlate our experimental results to speciation data and to the salting-out properties of the cations.

  1. Flowsheet for 63Ni production

    International Nuclear Information System (INIS)

    Williams, D.F.; Knauer, J.B.; O'Kelley, G.D.; Wiggins, J.T.; Porter, C.E.

    1992-01-01

    The production of large quantities of high specific activity 63 Ni (>10Ci/g) requires both a highly enriched 62 Ni target and a long irradiation period at high neutron flux. Trace impurities in the nickel and associated target materials are also activated and account for a significant fraction of the discharged activity and essentially all of the gamma activity. While most of these undesirable activation products (mainly transition metals) can be easily removed as chloride complexes during anion exchange, chromium, present as 51 Cr, and manganese, present as 54 Mn, are exceptions and require solvent extraction of the in-cell product to achieve the desired purity. In addition to summarizing the current development and production experience, optimized flowsheets are discussed

  2. Microstructural investigations of Ni and Ni2Al3 coatings exposed in biomass power plants

    DEFF Research Database (Denmark)

    Wu, D. L.; Dahl, K. V.; Christiansen, T. L.

    2018-01-01

    The present work investigates the corrosion resistance of Ni and Ni2Al3 coated austenitic stainless steel (TP347H) tubes, which were exposed in a biomass-fired boiler with an outlet steam temperature of 540 °C for 6757 h. The Ni2Al3 coating was produced by electroplating Ni followed by low...... temperature pack cementation. After exposure, microstructural investigations were performed by light optical and electron microscopy (SEM-EDS). Electroplated Ni coatings were not protective in straw firing power plants and exhibited similar corrosion morphology as uncoated tubes. For Ni2Al3 coatings...

  3. Influence of ni thickness on oscillation coupling in Cu/Ni multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Gagorowska, B; Dus-Sitek, M [Institute of Physics, Czestochowa University of Technology, Al. Armii Krajowej 19, 42-200 Czestochowa (Poland)

    2007-08-15

    The results of investigation of magnetic properties of [Cu/Ni]x100 were presented. Samples were deposited by face-to-face sputtering method onto the silicon substrate, the thickness of Cu layer was constant (d{sub Cu} = 2 nm) and the thickness of Ni layer - variable (1 nm {<=} d{sub Ni} {<=} 6 nm). In Cu/Ni multilayers, for the thickness of Ni layer bigger than 2 nm antiferromagnetic coupling (A-F) were observed, for the thickness of Ni smaller than 2 nm A-F coupling is absent.

  4. Influence of ni thickness on oscillation coupling in Cu/Ni multilayers

    International Nuclear Information System (INIS)

    Gagorowska, B; Dus-Sitek, M

    2007-01-01

    The results of investigation of magnetic properties of [Cu/Ni]x100 were presented. Samples were deposited by face-to-face sputtering method onto the silicon substrate, the thickness of Cu layer was constant (d Cu = 2 nm) and the thickness of Ni layer - variable (1 nm ≤ d Ni ≤ 6 nm). In Cu/Ni multilayers, for the thickness of Ni layer bigger than 2 nm antiferromagnetic coupling (A-F) were observed, for the thickness of Ni smaller than 2 nm A-F coupling is absent

  5. Exclusive study of Ni+Ni and Ni+Au central collisions: phase coexistence and spinodal decomposition; Etude exclusive des collisions centrales Ni+Ni et Ni+Au: coexistence de phase et decomposition spinodale

    Energy Technology Data Exchange (ETDEWEB)

    Guiot, B

    2002-12-01

    The INDRA multidetector allowed us to study the Ni+Ni collisions at 32A MeV and the Ni+Au collisions at 52,4 MeV. Central collisions leading to 'quasi-fused' systems were isolated using multidimensional analysis techniques: the Discriminant Analysis and the Principal Component Analysis. Comparison with a statistical model shows that the selected events are compatible with thermodynamical equilibrium. The average thermal excitation energy is 5A MeV for both systems. Calculations of heat capacities show that the deexcitation of the hot sources are akin to a liquid-gas phase transition of nuclear matter. Indeed heat capacities exhibit a negative branch as expected for a phase transition of a finite system. The dynamics of this phase transition has been investigated by applying the charge correlation method. An enhanced production of events with equal-sized fragments has been evidenced for Ni+Au at 52A MeV. No signal was found for Ni+Ni at 32A MeV. Finally this method was improved by taking into account the total charge conservation. The signal is seen more clearly for Ni+Au at 52A MeV, but is ambiguous for Ni+Ni at 32A MeV. The path followed in the state diagram, or the involved time scales, seem to be different for these systems. (authors)

  6. niños preescolares

    Directory of Open Access Journals (Sweden)

    Claudia Rosario Portilla Ramírez

    2007-01-01

    Full Text Available Este estudio explora la relación entre la escritura y la comprensión de la referencia a través de una tarea de sinonimia en niños entre 5 y 6 años de edad, de origen latinoamericano, escolarizados en Barcelona (España. Las variables relacionadas con la tarea de sinonimia fueron (a la comprensión de la entidad lingüística nombre y (b el nivel de conceptualización de la escritura de los niños y la presencia de etiquetas escritas durante la tarea. Para la tarea de sinonimia se utilizaron pares de sinónimos dialectales del español (de Latinoamérica y de la Península Ibérica. Los resultados mostraron una diferenciación en el razonamiento de los niños, la cual dependía de la comparación entre lenguaje oral y lenguaje escrito en el desarrollo de la tarea, evidenciando una mayor aceptación de la sinonimia en la modalidad de lenguaje oral que en la modalidad de lenguaje escrito.

  7. Reinvestigation of 56Ni decay

    International Nuclear Information System (INIS)

    Sur, B.; Norman, E.B.; Lesko, K.T.; Browne, E.; Larimer, R.

    1990-01-01

    In a series of experiments, we have reinvestigated the decay of the doubly magic nucleus 56 Ni, which is believed to be copiously produced in supernovae. We have confirmed its previously known decay scheme and half-life, and have searched for several rare decay modes. We establish an upper limit of 5.8x10 -7 for the branching ratio of the second forbidden unique β + decay to the 158-keV level in 56 Co, leading to a lower limit of 2.9x10 4 yr for the half-life of fully ionized 56 Ni nuclei in cosmic rays. We also establish an upper limit of 5.0x10 -3 for the branching ratio of the isospin forbidden Fermi electron capture transition to the 1451-keV level in 56 Co, which in turn leads to an upper limit of 124 keV for the isospin mixing Coulomb matrix element of the 56 Ni ground state

  8. On the nature of Ni···Ni interaction in a model dimeric Ni complex.

    Science.gov (United States)

    Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B; Woźniak, Krzysztof

    2011-06-07

    A new dinuclear complex (NiC(5)H(4)SiMe(2)CHCH(2))(2) (2) was prepared by reacting nickelocene derivative [(C(5)H(4)SiMe(2)CH=CH(2))(2)Ni] (1) with methyllithium (MeLi). Good quality crystals were subjected to a high-resolution X-ray measurement. Subsequent multipole refinement yielded accurate description of electron density distribution. Detailed inspection of experimental electron density in Ni···Ni contact revealed that the nickel atoms are bonded and significant deformation of the metal valence shell is related to different populations of the d-orbitals. The existence of the Ni···Ni bond path explains the lack of unpaired electrons in the complex due to a possible exchange channel.

  9. Synthesis of Ni core NiO shell nanostructure and magnetic investigation for shell thickness determination

    International Nuclear Information System (INIS)

    Arabi, H.; Bruck, E.; Tichelaar, F.D.

    2007-01-01

    Full text: Nickel oxide has received a considerable amount of attention in recent years for its catalytic, electronic and magnetic properties. Ni nanoparticles with an average size of 8 nm were prepared by dc - arc discharge in argon atmosphere. A current of 130 A and 300 milli bar pressure of argon have been applied. The produced Ni nanoparticles were annealed for oxidizing in air at 350 for six hours to produce antiferromagnetic NiO particles. The structure of Ni and NiO nanoparticles and size estimation of them studied by means of X-ray diffraction. The size and morphology of the particles were also characterized by high resolution transmission microscopy (TEM). The Ni core NiO shell structure, resulting from the oxidation process, were studied by magnetic properties measurements. A quantum design squid magnetometer, model MPMS5S was used for measuring saturation magnetization of both nanoparticles of Ni with and without NiO layer. By knowing the density of Ni and NiO, we were able to deduce the thickness of the Ni core and NiO outer layer. They are around 3 and 5 nanometers respectively. (authors)

  10. Donor impurity-related linear and nonlinear optical absorption coefficients in GaAs/Ga{sub 1−x}Al{sub x}As concentric double quantum rings: Effects of geometry, hydrostatic pressure, and aluminum concentration

    Energy Technology Data Exchange (ETDEWEB)

    Baghramyan, H.M.; Barseghyan, M.G.; Kirakosyan, A.A. [Department of Solid State Physics, Yerevan State University, Al. Manookian 1, 0025 Yerevan (Armenia); Restrepo, R.L. [Física Teórica y Aplicada, Escuela de Ingeniería de Antioquia, AA 7516, Medellín (Colombia); Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia); Mora-Ramos, M.E. [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia); Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico); Duque, C.A., E-mail: cduque@fisica.udea.edu.co [Grupo de Materia Condensada-UdeA, Instituto de Física, Facultadde Ciencias Exactas y Naturales, Universidad de Antioquia UdeA, Calle 70 No. 52-21,Medellín (Colombia)

    2014-01-15

    The linear and nonlinear optical absorption associated with the transition between 1s and 2s states corresponding to the electron-donor-impurity complex in GaAs/Ga{sub 1−x}Al{sub x}As three-dimensional concentric double quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and the variation of the aluminum concentration, the energies of the ground and first excited s-like states of a donor impurity in such a system have been calculated using the effective mass approximation and a variational method. The energies of these states and the corresponding threshold energy of the optical transitions are examined as functions of hydrostatic pressure, aluminum concentration, radial impurity position, as well as the geometrical dimensions of the structure. The dependencies of the linear, nonlinear and total optical absorption coefficients as functions of the incident photon energy are investigated for different values of those mentioned parameters. It is found that the influences mentioned above lead to either redshifts or blueshifts of the resonant peaks of the optical absorption spectrum. It is particularly discussed the unusual property exhibited by the third-order nonlinear of becoming positive for photon energies below the resonant transition one. It is shown that this phenomenon is associated with the particular features of the system under study, which determine the values of the electric dipole moment matrix elements. -- Highlights: • Intra-band optical absorption associated to impurity states in double quantum rings. • Combined effects of hydrostatic pressure and aluminum concentration are studied. • The influences mentioned above lead to shifts of resonant peaks. • It is discussed an unusual property exhibited by the third-order nonlinear absorption.

  11. Exclusive study of Ni+Ni and Ni+Au central collisions: phase coexistence and spinodal decomposition

    International Nuclear Information System (INIS)

    Guiot, B.

    2002-12-01

    The INDRA multidetector allowed us to study the Ni+Ni collisions at 32A MeV and the Ni+Au collisions at 52,4 MeV. Central collisions leading to 'quasi-fused' systems were isolated using multidimensional analysis techniques: the Discriminant Analysis and the Principal Component Analysis. Comparison with a statistical model shows that the selected events are compatible with thermodynamical equilibrium. The average thermal excitation energy is 5A MeV for both systems. Calculations of heat capacities show that the deexcitation of the hot sources are akin to a liquid-gas phase transition of nuclear matter. Indeed heat capacities exhibit a negative branch as expected for a phase transition of a finite system. The dynamics of this phase transition has been investigated by applying the charge correlation method. An enhanced production of events with equal-sized fragments has been evidenced for Ni+Au at 52A MeV. No signal was found for Ni+Ni at 32A MeV. Finally this method was improved by taking into account the total charge conservation. The signal is seen more clearly for Ni+Au at 52A MeV, but is ambiguous for Ni+Ni at 32A MeV. The path followed in the state diagram, or the involved time scales, seem to be different for these systems. (authors)

  12. Atomistic calculations of hydrogen interactions with Ni3Al grain boundaries and Ni/Ni3Al interfaces

    International Nuclear Information System (INIS)

    Baskes, M.I.; Angelo, J.E.; Moody, N.R.

    1995-01-01

    Embedded Atom Method (EAM) potentials have been developed for the Ni/Al/H system. The potentials have been fit to numerous properties of this system. For example, these potentials represent the structural and elastic properties of bulk Ni, Al, Ni 3 Al, and NiAl quite well. In addition the potentials describe the solution and migration behavior of hydrogen in both nickel and aluminum. A number of calculations using these potentials have been performed. It is found that hydrogen strongly prefers sites in Ni 3 Al that are surrounded by 6 Ni atoms. Calculations of the trapping of hydrogen to a number of grain boundaries in Ni 3 Al have been performed as a function of hydrogen chemical potential at room temperature. The failure of these bicrystals under tensile stress has been examined and will be compared to the failure of pure Ni 3 Al boundaries. Boundaries containing a preponderance of nickel are severely weakened by hydrogen. In order to investigate the potential embrittlement of γ/γ' alloys, trapping of hydrogen to a spherical Ni 3 Al precipate in nickel as a function of chemical potential at room temperature has been calculated. It appears that the boundary is not a strong trap for hydrogen, hence embrittlement in these alloys is not primarily due to interactions of hydrogen with the γ/γ interface

  13. Structural features in Ni-Al alloys

    International Nuclear Information System (INIS)

    Abylkalykova, R.B.; Kveglis, L.I.; Rakhimova, U.A.; Nasokhova, Sh.B.; Tazhibaeva, G.B.

    2007-01-01

    Purpose of the work is study of structural transformations under diverse memory effect in Ni-Al alloys. Examination were conducted in following composition samples: Ni -75 at.% and Al - 25 at.%. The work is devoted to clarification reasons both formation atom-ordered structures in inter-grain boundaries of bulk samples under temperature action and static load. Revealed inter-grain inter-boundary layers in Ni-Al alloy both bulk and surface state have complicated structure

  14. Compositional and structural characterisation of Ni-phyllosilicates in hydrous silicate type Ni-laterite deposits

    OpenAIRE

    Villanova de Benavent, Cristina

    2015-01-01

    Ni-bearing Mg-phyllosilicates (commonly known as garnierites) are significant ore minerals in many Ni-laterite deposits worldwide. However, the characterisation of these mineral phases is complex, as well as their classification and nomenclature, due to their fine-grained nature, low crystallinity and frequent occurrence as mixtures. The aim of this study is to shed some light to the nature of the Ni-bearing Mg-phyllosilicates occurring at the Falcondo Ni-laterite. In this deposit, these ...

  15. Thermal capture cross section for 58Ni (n,γ)59 Ni reaction

    International Nuclear Information System (INIS)

    Carbonari, A.W.; Pecequilo, B.R.S.

    1989-01-01

    The 58 Ni total thermal capture cross section was determined by suming the partial cross sections calculated for the primary transitions of the reaction 58 Ni (n,γ) 59 Ni. The primary transitions energies and intensities were determined from the 58 Ni thermal neutrons prompt gamma capture gamma rays spectrum in the 3.7 to 9.3 MeV region. The obtained value for the total cross section was 4.52 + 0.10b. (author) [pt

  16. Formation enthalpy of NiBe and Ni5Be21

    International Nuclear Information System (INIS)

    Ivanov, M.I.; Karpova, T.F.; Dalago, N.Yu.

    1981-01-01

    The method of dissolution calorimetry is used to determine standard enthalpies of NiBe and Ni 5 Be 21 formation, which are 84.8+-2.2 and (-669+-37)kJ/mol. The enthalpy values of NiBe and Ni 5 Be 21 at 331 K are shown to coincide (within the limits of errors of these values) with the values at the standard temperature of 298.15 K [ru

  17. Effects of Ni vacancy, Ni antisite, Cr and Pt on the third-order elastic constants and mechanical properties of NiAl

    KAUST Repository

    Wu, Shaohua; Wu, Xiaozhi; Wang, Rui; Liu, Qing; Gan, Liyong

    2014-01-01

    Effects of Ni vacancy, Ni antisite in Al sublattice, Cr in Al sublattice, Pt in Ni sublattice on the second-order elastic constants (SOECs) and third-order elastic constants (TOECs) of the B2 NiAl have been investigated using the first-principles methods. Lattice constant and the SOECs of NiAl are in good agreement with the previous results. The brittle/ductile transition map based on Pugh ratio G/B and Cauchy pressure Pc shows that Ni antisite, Cr, Pt and pressure can improve the ductility of NiAl, respectively. Ni vacancy and lower pressure can enhance the Vickers hardness Hv of NiAl. The density of states (DOS) and the charge density difference are also used to analysis the effects of vacancy, Ni antisite, Cr and Pt on the mechanical properties of NiAl, and the results are in consistent with the transition map. © 2014 Elsevier Ltd. All rights reserved.

  18. Effects of Ni vacancy, Ni antisite, Cr and Pt on the third-order elastic constants and mechanical properties of NiAl

    KAUST Repository

    Wu, Shaohua

    2014-12-01

    Effects of Ni vacancy, Ni antisite in Al sublattice, Cr in Al sublattice, Pt in Ni sublattice on the second-order elastic constants (SOECs) and third-order elastic constants (TOECs) of the B2 NiAl have been investigated using the first-principles methods. Lattice constant and the SOECs of NiAl are in good agreement with the previous results. The brittle/ductile transition map based on Pugh ratio G/B and Cauchy pressure Pc shows that Ni antisite, Cr, Pt and pressure can improve the ductility of NiAl, respectively. Ni vacancy and lower pressure can enhance the Vickers hardness Hv of NiAl. The density of states (DOS) and the charge density difference are also used to analysis the effects of vacancy, Ni antisite, Cr and Pt on the mechanical properties of NiAl, and the results are in consistent with the transition map. © 2014 Elsevier Ltd. All rights reserved.

  19. Creep and shrinkage of Mo(Ni)

    International Nuclear Information System (INIS)

    Kaysser, W.A.; Hofmann-Amtenbrink, M.; Petzow, G.

    1984-01-01

    To avoid some of the errors inherent in a quantitative interpretation of shrinkage of powder compacts as Mo-Ni, other experiments were looked for, where the influence of Ni on the material transport properties of Mo could be measured semi-quantitatively during heating up to temperature and subsequent isothermal annealing. The bending of thin Mo foils under small loads was found to be an experimental arrangement, where variations in stress, in Ni-concentration and in intrinsic material properties could be realized. The results of these creep experiments will be compared in a qualitative sense with sintering experiments in Mo-Ni done under similar conditions as the creep experiments

  20. Structure-activity relations for Ni-containing zeolites during NO reduction. II. Role of the chemical state of Ni

    NARCIS (Netherlands)

    Mosqueda Jimenez, B.I.; Jentys, A.; Seshan, Kulathuiyer; Lercher, J.A.

    2003-01-01

    The influence of the metal in Ni-containing zeolites used as catalysts for the reduction of NO with propane and propene was studied. In the fresh catalysts, Ni is located in ion exchange positions for Ni/MOR, Ni/ZSM-5, and Ni/MCM-22. The formation of carbonaceous deposits, the removal of Al from

  1. Ni-P/Zn-Ni compositionally modulated multilayer coatings - Part 2: Corrosion and protection mechanisms

    Science.gov (United States)

    Bahadormanesh, Behrouz; Ghorbani, Mohammad

    2018-06-01

    The Ni-P/Zn-Ni compositionally modulated multilayer coatings CMMCs were electrodeposited from a single bath by switching the deposition current density. The corrosion resistance of the deposits was studied and compared with that of monolayers of Ni-P and Zn-Ni alloys via Tafel polarization, EIS and salt spray tests. Characterization of corrosion products by means of EDS and XRD revealed more details from the corrosion mechanism of the monolayers and multilayers. The corrosion current density of Ni-P/Zn-Ni CMMCs were around one tenth of Zn-Ni monolayer. The CMMC with incomplete layers performed lower polarization resistance and higher corrosion current density compared to the CMMC with complete layers. The electrical circuit that was proposed for modeling the corrosion process based on the EIS spectrum, proved that layering reduces the porosity and consequently improves the barrier properties. Although, layering of Zn-Ni layers with Ni-P deposits increased the time to red rust in salt spray test, the time for white rust formation decreased. The corrosion mechanism of both Zn-Ni and Ni-P (containing small amount of Zn) was preferential dissolution of Zn and the corrosion products were comprised of mainly Zn hydroxychloride and Zn hydroxycarbonate. Also, Ni and P did not take part in the corrosion products. Based on the electrochemical character of the layers and the morphology of the corroded surface, the corrosion mechanism of multilayers was discussed.

  2. Joining of Ni-TiC FGM and Ni-Al Intermetallics by Centrifugal Combustion Synthesis

    International Nuclear Information System (INIS)

    Ohmi, Tatsuya; Matsuura, Kiyotaka; Iguchi, Manabu; Mizuma, Kiminori

    2008-01-01

    A centrifugal combustion synthesis (CCS) process has been investigated to join a Ni-Al intermetallic compound and a Ni-TiC cermet. The cermet, a tubular graphite mold, and a green compact of reactants consisting of Al, Ni and NiO were set in a centrifugal caster. When the combustion synthesis reaction was induced in the centrifugal force field, a synthesized molten Ni-Al alloy flowed into the graphite mold and joined to the cermet. The soundness of the joint interface depended on the volume percentage of TiC phase in the cermet. A lot of defects were formed near the interface between the Ni-TiC cermet and the cast Ni-Al alloy when the volume percentage of TiC was 50% or higher. For this kind of cermet system, using a functionally graded cermet such as Ni-10 vol.%TiC/Ni-25 vol.%TiC/Ni-50 vol.%TiC overcame this difficulty. The four-point bending strength of the joined specimen consisting of the three-layered FGM cermet and cast Ni-29 mol%Al alloy was 1010 MPa which is close to the result for a Ni-29 mol%Al alloy specimen

  3. Dynamic recovery in nanocrystalline Ni

    International Nuclear Information System (INIS)

    Sun, Z.; Van Petegem, S.; Cervellino, A.; Durst, K.; Blum, W.; Van Swygenhoven, H.

    2015-01-01

    The constant flow stress reached during uniaxial deformation of electrodeposited nanocrystalline Ni reflects a quasi-stationary balance between dislocation slip and grain boundary (GB) accommodation mechanisms. Stress reduction tests allow to suppress dislocation slip and bring recovery mechanisms into the foreground. When combined with in situ X-ray diffraction it can be shown that grain boundary recovery mechanisms play an important role in producing plastic strain while hardening the microstructure. This result has a significant consequence for the parameters of thermally activated glide of dislocations, such as athermal stress and activation volume, which are traditionally derived from stress/strain rate change tests

  4. Morphological control of Ni/NiO core/shell nanoparticles and production of hollow NiO nanostructures

    International Nuclear Information System (INIS)

    Chopra, Nitin; Claypoole, Leslie; Bachas, Leonidas G.

    2010-01-01

    Chemical synthesis coupled with a microwave irradiation process allowed for the control of size (6-40 nm), shape, and shell thickness of Ni/NiO core/shell nanoparticles. In this unique synthetic route, the size of Ni nanoparticles (NiNPs) was strongly influenced by the nickel salt-to-stabilizer ratio and the amount of the stabilizer. Interestingly, it was observed that the shape of the nanoparticles was altered by varying the reaction time, where longer reaction times resulted in annealing effects and rupture of the stabilizer micelle leading to distinct shapes of Ni/NiO core/shell nanostructures. Product cooling rate was another important parameter identified in this study that not only affected the shape, but also the crystal structure of the core/shell nanoparticles. In addition, a simple and cost-effective method of microwave irradiation of NiNPs led to the formation of distinctly shaped hollow NiO nanoparticles. These high surface area core/shell nanoparticles with well-controlled morphologies are important and can lead to significant advancement in the design of improved fuel cells, electrochromic display devices, and catalysis systems.

  5. Morphological control of Ni/NiO core/shell nanoparticles and production of hollow NiO nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Chopra, Nitin [University of Alabama, Department of Metallurgical and Materials Engineering, Center for Materials for Information Technology (MINT) (United States); Claypoole, Leslie [Fairmont State University (United States); Bachas, Leonidas G., E-mail: bachas@uky.ed [University of Kentucky, Department of Chemistry (United States)

    2010-10-15

    Chemical synthesis coupled with a microwave irradiation process allowed for the control of size (6-40 nm), shape, and shell thickness of Ni/NiO core/shell nanoparticles. In this unique synthetic route, the size of Ni nanoparticles (NiNPs) was strongly influenced by the nickel salt-to-stabilizer ratio and the amount of the stabilizer. Interestingly, it was observed that the shape of the nanoparticles was altered by varying the reaction time, where longer reaction times resulted in annealing effects and rupture of the stabilizer micelle leading to distinct shapes of Ni/NiO core/shell nanostructures. Product cooling rate was another important parameter identified in this study that not only affected the shape, but also the crystal structure of the core/shell nanoparticles. In addition, a simple and cost-effective method of microwave irradiation of NiNPs led to the formation of distinctly shaped hollow NiO nanoparticles. These high surface area core/shell nanoparticles with well-controlled morphologies are important and can lead to significant advancement in the design of improved fuel cells, electrochromic display devices, and catalysis systems.

  6. Continuum mechanics simulations of NiO/Ni-YSZ composites during reduction and re-oxidation

    DEFF Research Database (Denmark)

    Pihlatie, Mikko; Frandsen, Henrik Lund; Kaiser, Andreas

    2010-01-01

    for the dimensional change arises from the volumetric change related to the phase change NiO ↔ Ni. The measurable change in bulk length is given by the ceramic YSZ backbone as a response to the stress created by the chemical strain. The different subprocesses described in the model for YSZ were elastic and anelastic...... expansion, diffusional creep, grain boundary sliding (GBS) and microcracking due to excessive stress. In the Ni/NiO phase, nonelastic strains in terms of diffusional and power law creep were implemented, and additionally for NiO deformation due to microcracking and/or pseudoplasticity. Semi...

  7. Niños y niñas como cuidadores familiares

    OpenAIRE

    María Rosa Estupiñán Aponte

    2015-01-01

    En el contexto familiar, el cuidado de otra persona por parte de niños y niñas constituye un terreno inexplorado tanto en su significado como en las implicaciones que podrían darse en el proceso. Aunque históricamente se ha asignado el cuidado familiar a las mujeres generando condiciones de inequidad, incrementada con los cambios sociales de los últimos tiempos, es necesario reconocer que en muchos hogares niños y niñas se han visto obligados a desempeñar esta labor sin la preparación ni las ...

  8. .';.:NI~

    African Journals Online (AJOL)

    al wat ons werd was. Na middagete op 29 Junie, is ek per kar suid om die grand te gaan besigtig en om te sien hoe my stellings, van die vyandelike oogpunt, daaruit .... van Gatt se optrede moes die. Nieu-Seelanders, in 'n briljante nagaanval, met gevelde bajonette, 'n weg baan deur die vyand am daardie nag te ontvlug.

  9. Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity

    International Nuclear Information System (INIS)

    Seenivasan, H.; Tiwari, Ashwani K.

    2013-01-01

    Water adsorption and dissociation on Ni(100) and Ni(111) surfaces are studied using density functional theory calculations. Water adsorbs on top site on both the surfaces, while H and OH adsorb on four fold hollow and three fold hollow (fcc) sites on Ni(100) and Ni(111), respectively. Transition states (TS) on both surfaces are identified using climbing image-nudged elastic band method. It is found that the barrier to dissociation on Ni(100) surface is slightly lower than that on Ni(111) surface. Dissociation on both the surfaces is exothermic, while the exothermicity on Ni(100) is large. To study the effect of lattice motion on the energy barrier, TS calculations are performed for various values of Q (lattice atom coordinate along the surface normal) and the change in the barrier height and position is determined. Calculations show that the energy barrier to reaction decreases with increasing Q and increases with decreasing Q on both the surfaces. Dissociation probability values at different surface temperatures are computed using semi-classical approximation. Results show that the influence of surface temperature on dissociation probability on the Ni(100) is significantly larger compared to that of Ni(111). Moreover, on Ni(100), a dramatic shift in energy barrier to lower incident energy values is observed with increasing surface temperature, while the shift is smaller in the case of Ni(111)

  10. Creatividad en niños superdotados

    OpenAIRE

    González Román, María del Pilar

    1992-01-01

    Se ha realizado un estudio sobre la creatividad en los niños superdotados. Analizándose los diferentes modelos de creatividad y superdotacion avalados por un estudio empírico, en el cual se han valorado las diferencial que existen entre los niños superdotados y contraste a nivel verbal y grafico-espacial.

  11. Preparation of one-step NiO/Ni-CGO composites using factorial design

    International Nuclear Information System (INIS)

    Araujo, A.J.M. de; Sousa, A R.O. de; Camposa, L.F.A.; Macedo, D.A.; Loureiro, F. J.A.; Fagg, D.P.

    2016-01-01

    This work deals with the synthesis, processing and characterization of NiO/Ni- CGO composite materials as potential solid oxide fuel cell (SOFC) anodes. The particulate materials were obtained by a one-step synthesis method and characterized by thermal analysis (prior to calcination) and X-ray diffraction (calcined powder). The ceramic processing of samples containing from 30 to 70 wt.% NiO was carried out by factorial design. Besides the NiO content controlled during the chemical synthesis, the impacts of the pore-former content (citric acid, used in proportions of 0, 7.5 and 15 wt.%) and the sintering temperature (1300, 1350 and 1400 °C) were also investigated. The open porosity of NiO-CGO composites and reduced Ni-CGO cermets was modeled as a function of factors (NiO content, citric acid content and sintering temperature) and interaction of factors. (author)

  12. Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn

    International Nuclear Information System (INIS)

    Douglas, Jason E.; Pollock, Tresa M.; Chater, Philip A.; Brown, Craig M.; Seshadri, Ram

    2014-01-01

    The structural implications of excess Ni in the TiNiSn half-Heusler compound are examined through a combination of synchrotron x-ray and neutron scattering studies, in conjunction with first principles density functional theory calculations on supercells. Despite the phase diagram suggesting that TiNiSn is a line compound with no solid solution, for small x in TiNi 1+x Sn there is indeed an appearance—from careful analysis of the scattering—of some solubility, with the excess Ni occupying the interstitial tetrahedral site in the half-Heusler structure. The analysis performed here would point to the excess Ni not being statistically distributed, but rather occurring as coherent nanoclusters. First principles calculations of energetics, carried out using supercells, support a scenario of Ni interstitials clustering, rather than a statistical distribution.

  13. Nanostructures of Boron, Carbon and Magnesium Diboride for High Temperature Superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Pfefferle, Lisa [Yale Univ., New Haven, CT (United States); Fang, Fang [Yale Univ., New Haven, CT (United States); Iyyamperumal, Eswarmoorthi [Yale Univ., New Haven, CT (United States); Keskar, Gayatri [Yale Univ., New Haven, CT (United States)

    2013-12-23

    Direct fabrication of MgxBy nanostructures is achieved by employing metal (Ni,Mg) incorporated MCM-41 in the Hybrid Physical-Chemical Vapor Deposition (HPCVD) reaction. Different reaction conditions are tested to optimize the fabrication process. TEM analysis shows the fabrication of MgxBy nanostructures starting at the reaction temperature of 600oC, with the yield of the nanostructures increasing with increasing reaction temperature. The as-synthesized MgxBy nanostructures have the diameters in the range of 3-5nm, which do not increase with the reaction temperature consistent with templated synthesis. EELS analysis of the template removed nanostructures confirms the existence of B and Mg with possible contamination of Si and O. NEXAFS and Raman spectroscopy analysis suggested a concentric layer-by-layer MgxBy nanowire/nanotube growth model for our as-synthesized nanostructures. Ni k-edge XAS indicates that the formation of MgNi alloy particles is important for the Vapor-Liquid-Solid (VLS) growth of MgxBy nanostructures with fine diameters, and the presence of Mg vapor not just Mg in the catalyst is crucial for the formation of Ni-Mg clusters. Physical templating by the MCM-41 pores was shown to confine the diameter of the nanostructures. DC magnetization measurements indicate possible superconductive behaviors in the as-synthesized samples.

  14. Energy-filtered environmental transmission electron microscopy for the assessment of solid–gas reactions at elevated temperature: NiO/YSZ–H{sub 2} as a case study

    Energy Technology Data Exchange (ETDEWEB)

    Jeangros, Q. [Interdisciplinary Centre for Electron Microscopy, Ecole Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Photovoltaics and Thin Film Electronics Laboratory, Ecole Polytechnique Fédérale de Lausanne, Neuchâtel (Switzerland); Hansen, T.W.; Wagner, J.B. [Center for Electron Nanoscopy, Technical University of Denmark, Lyngby (Denmark); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Grünberg Institute, Jülich Research Centre, Jülich (Germany); Hébert, C. [Interdisciplinary Centre for Electron Microscopy, Ecole Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Van herle, J. [Fuelmat Group, Ecole Polytechnique Fédérale de Lausanne, Sion (Switzerland); Hessler-Wyser, A. [Interdisciplinary Centre for Electron Microscopy, Ecole Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Photovoltaics and Thin Film Electronics Laboratory, Ecole Polytechnique Fédérale de Lausanne, Neuchâtel (Switzerland)

    2016-10-15

    A novel approach, which is based on the analysis of sequences of images recorded using energy-filtered transmission electron microscopy and can be used to assess the reaction of a solid with a gas at elevated temperature, is illustrated for the reduction of a NiO/ceramic solid oxide fuel cell anode in 1.3 mbar of H{sub 2}. Three-window elemental maps and jump-ratio images of the O K edge and total inelastic mean free path images are recorded as a function of temperature and used to provide local and quantitative information about the reaction kinetics and the volume changes that result from the reaction. Under certain assumptions, the speed of progression of the reaction front in all three dimensions is obtained, thereby providing a three-dimensional understanding of the reaction. - Highlights: • EFTEM is used to assess solid–gas reactions at elevated temperatures. • This novel approach provides local, quantitative chemical and structural data. • A 3D insight into how the reaction proceeds is obtained under certain assumptions. • Reaction mechanisms and their link to microstructure can be established.

  15. Microstructural evolution of Ni40Zr60 alloy during early stage of mechanical alloying of intermetallic compounds NiZr2 and Ni11Zr9

    International Nuclear Information System (INIS)

    Lee Peeyew; Koch, C.C.

    1994-01-01

    The microstructural change of Ni 40 Zr 60 alloy during mechanical alloying of mixtures of the intermetallic compounds NiZr 2 and Ni 11 Zr 9 has been studied by transmission electron microscopy. A specific ''cauliflower'' phase was formed during early stage of mechanical alloying process. It is suggested that the solid state reaction between intermetallic compounds NiZr 2 and Ni 11 Zr 9 is not the only origin for the formation of the ''cauliflower'' phase. ((orig.))

  16. Microstructure and tribological properties of NiMo/Mo2Ni3Si intermetallic 'in-situ' composites

    International Nuclear Information System (INIS)

    Gui Yongliang; Song Chunyan; Yang Li; Qin Xiaoling

    2011-01-01

    Research highlights: → Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites was fabricated successfully with Mo-Ni-Si powder blends as the starting materials. Microstructure of the NiMo/Mo 2 Ni 3 Si composites consists of Mo 2 Ni 3 Si primary dendrites, binary intermetallic phase NiMo and small amount of Ni/NiMo eutectics structure. The NiMo/Mo 2 Ni 3 Si composites exhibited high hardness and outstanding tribological properties under room-temperature dry-sliding wear test conditions which were attributed to the covalent-dominant strong atomic bonds and excellent combination of strength and ductility and toughness. - Abstract: Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites with a microstructure of ternary metal silicide Mo 2 Ni 3 Si primary dendritic, the long strip-like NiMo intermetallic phase, and a small amount of Ni/NiMo eutectics structure were designed and fabricated using molybdenum, nickel and silicon elemental powders. Friction and wear properties of NiMo/Mo 2 Ni 3 Si composites were evaluated under different contact load at room-temperature dry-sliding wear test conditions. Microstructure, worn surface morphologies and subsurface microstructure were characterized by OM, XRD, SEM and EDS. Results indicate that NiMo/Mo 2 Ni 3 Si composites have low fiction coefficient, excellent wear resistance and sluggish wear-load dependence. The dominant wear mechanisms of NiMo/Mo 2 Ni 3 Si composites are soft abrasion and slightly superficial oxidative wear.

  17. Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity† †Electronic supplementary information (ESI) available: Sample description and synthesis details, experimental setup for in situ XAS and FTIR spectroscopy, details on the MCR-ALS method, details on DFT-assisted XANES simulations, details on the determination of N pure by PCA, MCR-ALS results for downsized and upsized component spaces, additional information to support the assignment of theoretical XANES curves, details on EXAFS analysis, details on IR spectral deconvolution. See DOI: 10.1039/c7sc02266b Click here for additional data file.

    Science.gov (United States)

    Martini, A.; Lomachenko, K. A.; Pankin, I. A.; Negri, C.; Berlier, G.; Beato, P.; Falsig, H.; Bordiga, S.; Lamberti, C.

    2017-01-01

    The small pore Cu-CHA zeolite is attracting increasing attention as a versatile platform to design novel single-site catalysts for deNOx applications and for the direct conversion of methane to methanol. Understanding at the atomic scale how the catalyst composition influences the Cu-species formed during thermal activation is a key step to unveil the relevant composition–activity relationships. Herein, we explore by in situ XAS the impact of Cu-CHA catalyst composition on temperature-dependent Cu-speciation and reducibility. Advanced multivariate analysis of in situ XANES in combination with DFT-assisted simulation of XANES spectra and multi-component EXAFS fits as well as in situ FTIR spectroscopy of adsorbed N2 allow us to obtain unprecedented quantitative structural information on the complex dynamics during the speciation of Cu-sites inside the framework of the CHA zeolite. PMID:29147509

  18. Nonenzymatic Glucose Sensor Based on In Situ Reduction of Ni/NiO-Graphene Nanocomposite

    Directory of Open Access Journals (Sweden)

    Xiaohui Zhang

    2016-10-01

    Full Text Available Ni/NiO nanoflower modified reduced graphene oxide (rGO nanocomposite (Ni/NiO-rGO was introduced to screen printed electrode (SPE for the construction of a nonenzymatic electrochemical glucose biosensor. The Ni/NiO-rGO nanocomposite was synthesized by an in situ reduction process. Graphene oxide (GO hybrid Nafion sheets first chemical adsorbed Ni ions and assembled on the SPE. Subsequently, GO and Ni ions were reduced by hydrazine hydrate. The electrochemical properties of such a Ni/NiO-rGO modified SPE were carefully investigated. It showed a high activity for electrocatalytic oxidation of glucose in alkaline medium. The proposed nonenzymatic sensor can be utilized for quantification of glucose with a wide linear range from 29.9 μM to 6.44 mM (R = 0.9937 with a low detection limit of 1.8 μM (S/N = 3 and a high sensitivity of 1997 μA/mM∙cm−2. It also exhibited good reproducibility as well as high selectivity.

  19. Enthalpy of mixing of liquid Ni-Zr and Cu-Ni-Zr alloys

    International Nuclear Information System (INIS)

    Witusiewicz, V.T.; Sommer, F.

    2000-01-01

    Since the Al-Cu-Ni-Zr system is a basis for the production of bulk amorphous materials by rapid solidification techniques from the liquid state, it is of great scientific interest to determine the partial and the integral thermodynamic functions of liquid and undercooled liquid alloys. Such data, as was pointed out previously, are important in order to understand their extremely good glass-forming ability in multicomponent metallic systems as well as for processing improvements. In order to measure the thermodynamic properties of the Al-Cu-Ni-Zr quaternary, it is necessary to have reliable thermochemical data for its constituent canaries and ternaries first. In a series of articles, the authors have reported in detail the thermodynamic properties of liquid Al-Cu, Al-Ni, Cu-Ni, Cu-Zr, Al-Zr, Al-Cu-Ni, and Al-Cu-Zr alloys. This article deals with the direct calorimetric measurements of the partial and the integral enthalpies of mixing of liquid Ni-Zr and Cu-Ni-Zr alloys and the heat capacity of liquid Ni 26 Zr 74 . In a subsequent article, the authors will present similar data for the liquid ternary Al-Ni-Zr and for the liquid quaternary Al-Cu-Ni-Zr alloys

  20. The Ni-YSZ interface

    DEFF Research Database (Denmark)

    Jensen, Karin Vels

    The anode/electrolyte interface in solid oxide fuel cells (SOFC) is known to cause electrical losses. Geometrically simple Ni/yttria-stabilised zirconia (YSZ) interfaces were examined to gain information on the structural and chemical changes occurring during experiments at 1000°C in an atmosphere...... of 97% H2/3% H2O. Electrochemical impedance spectroscopy at open circuit voltage (OCV) and at anodic and cathodic polarisations (100 mV) was performed. A correlation of the electrical data with the structure development and the chemical composition was attempted. Nickel wires with different impurity...... between polarised and non-polarised samples. With pure nickel wires, however, the microstructures depended on the polarisation/non-polarisation conditions. At non-polarised conditions a hill and valley type structure was found. Anodic polarisation produced an up to 1 μm thick interface layer consisting...

  1. Study of the central collisions in the reactions Ni + Al and Ni + Ni at 28 A.MeV; Etude des collisions centrales dans les reactions Ni + Al et Ni + Ni a 28 A.MeV

    Energy Technology Data Exchange (ETDEWEB)

    Lebreton, L.

    1995-12-01

    The work is in characterisation of mechanisms in the energy range of onset of multifragmentation (excitation energy of composed nucleus around 4 - 5 AMeV). This work focused on an experiment performed at the SARA facility, in Grenoble, using the AMPHORA multi detection array. I have been particularly interested in central collisions in the Ni + Al and Ni + Ni systems. The possibility to detect complete events for Ni + Al, and quasi-complete events for the Ni + Ni case, is the reason of this choice. Furthermore Ni + Ni presents the interest of a symmetrical system, for which the excitation energy per nucleon is maximum. The study of these reactions has been focused on the quasi-complete events (events for which at least 80 % of the total charge has been detected). Heavy ions produced in peripheral collisions are very likely emitted along the beam line or stopped in the plastic detectors, energy thresholds are too high for the quasi-target products detection, consequently by requiring complete or quasi-complete measurement of the total charge, we are able to detect mostly central events. The knowledge of informations like charge, energy or detection angles allows to isolate the source(s) and to reconstruct the size and the excitation energy of the source(s). Comparisons with simulations like sequential emission (GEMINI code), very deep inelastic collision or instantaneous emission (Berliner code) allows to characterise the first stage of the collision (binary collisions or central collisions) and the type of deexcitation of the source(s). Some calculations was also performed with the statistical model code MODGAN. Indeed azimuthal correlations seem to be a good tool in getting more information about involved reaction mechanisms. Comparisons with MODGAN provide information about angular momentum of the source and time delay between emissions of the two particles (separation between sequential or instantaneous process). (author). 69 refs.

  2. XAS Studies of Arsenic in the Environment

    International Nuclear Information System (INIS)

    Charnock, J. M.; Polya, D. A.; Gault, A. G.; Morgan, A. J.

    2007-01-01

    Arsenic is present in low concentrations in much of the Earth's crust and changes in its speciation are vital to understanding its transport and toxicity in the environment. We have used X-ray absorption spectroscopy to investigate the coordination sites of arsenic in a wide variety of samples, including soil and earthworm tissues from arsenic-contaminated land, and human hair and nail samples from people exposed to arsenic in Cambodia. Our results confirm the effectiveness of using X-ray absorption near edge structure (XANES) and X-ray absorption fine structure (EXAFS) spectroscopy to determine speciation changes in environmental samples

  3. Electrochemical preparation and characteristics of Ni-Co-LaNi{sub 5} composite coatings as electrode materials for hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Wu Gang; Li Ning; Dai Changsong; Zhou Derui

    2004-02-15

    Electrocatalytic activity for the hydrogen evolution reaction on Ni-Co-LaNi{sub 5} composite electrodes prepared by electrochemical codeposition technique was evaluated. The relationship between the current density for hydrogen evolution reaction and the amount of LaNi{sub 5} particles in Ni-Co baths is like the well-known 'volcano plot'. The Surface morphology and microstructure of Ni-Co-LaNi{sub 5} coatings were determined by means of scanning electron microscopy (SEM) and X-ray diffraction (XRD). The kinetic parameters were determined from electrochemical steady-state Tafel polarization and electrochemical impedance spectroscopy technology in 1 M NaOH solution. The values obtained for the apparent energies of activation are 32.48, 46.29 and 57.03 kJ mol{sup -1} for the Ni-Co-LaNi{sub 5}, Ni-Co and Ni electrodes, respectively. The hydrogen evolution reaction on Ni-Co-LaNi{sub 5} proceeds via Volmer-Tafel reaction route with the mixed rate determining characteristics. The composite coating Ni-Co-LaNi{sub 5} is catalytically more active than Ni and Ni-Co electrodes due to the increase in its real surface areas and the decrease in the apparent free energy of activation caused by the electrocatalytic synergistic effect of the Ni-Co alloys and the hydrogen storage intermetallic particles on the electrode surface.

  4. Electrochemical preparation and characteristics of Ni-Co-LaNi5 composite coatings as electrode materials for hydrogen evolution

    International Nuclear Information System (INIS)

    Wu Gang; Li Ning; Dai Changsong; Zhou Derui

    2004-01-01

    Electrocatalytic activity for the hydrogen evolution reaction on Ni-Co-LaNi 5 composite electrodes prepared by electrochemical codeposition technique was evaluated. The relationship between the current density for hydrogen evolution reaction and the amount of LaNi 5 particles in Ni-Co baths is like the well-known 'volcano plot'. The Surface morphology and microstructure of Ni-Co-LaNi 5 coatings were determined by means of scanning electron microscopy (SEM) and X-ray diffraction (XRD). The kinetic parameters were determined from electrochemical steady-state Tafel polarization and electrochemical impedance spectroscopy technology in 1 M NaOH solution. The values obtained for the apparent energies of activation are 32.48, 46.29 and 57.03 kJ mol -1 for the Ni-Co-LaNi 5 , Ni-Co and Ni electrodes, respectively. The hydrogen evolution reaction on Ni-Co-LaNi 5 proceeds via Volmer-Tafel reaction route with the mixed rate determining characteristics. The composite coating Ni-Co-LaNi 5 is catalytically more active than Ni and Ni-Co electrodes due to the increase in its real surface areas and the decrease in the apparent free energy of activation caused by the electrocatalytic synergistic effect of the Ni-Co alloys and the hydrogen storage intermetallic particles on the electrode surface

  5. Synthesis of Supported NiPt Bimetallic Nanoparticles, Methods for Controlling the Surface Coverage of Ni Nanoparticles With Pt, Methods Of Making NiPt Multilayer Core-Shell Structures and Application of the Supported Catalysts for CO2 Reforming

    KAUST Repository

    Li, Lidong; Anjum, Dalaver H.; Zhou, Lu; Laveille, Paco; Basset, Jean-Marie

    2015-01-01

    Embodiments of the present disclosure provide for supported Ni/Pt bimetallic nanoparticles, compositions including supported NiPt nanoparticles, methods of making supported NiPt nanoparticles, methods of using supported NiPt nanoparticles

  6. Synthesis of Supported NiPt Bimetallic Nanoparticles, Methods for Controlling the Surface Coverage of Ni Nanoparticles With Pt, Methods Of Making NiPt Multilayer Core-Shell Structures and Application of the Supported Catalysts for CO2 Reforming

    KAUST Repository

    Li, Lidong

    2015-06-25

    Embodiments of the present disclosure provide for supported Ni/Pt bimetallic nanoparticles, compositions including supported NiPt nanoparticles, methods of making supported NiPt nanoparticles, methods of using supported NiPt nanoparticles, and the like.

  7. Growth of single-crystal W whiskers during humid H2/N2 reduction of Ni, Fe-Ni, and Co-Ni doped tungsten oxide

    International Nuclear Information System (INIS)

    Wang Shiliang; He Yuehui; Zou Jou; Wang Yong; Huang Han

    2009-01-01

    Numbers of W whiskers were obtained by reducing Ni, Ni-Fe, and Ni-Co doped tungsten oxide in a mixed atmosphere of humid H 2 and N 2 . The phases and morphologies of the reduction products were characterized by XRD and SEM. Intensive TEM and EDS analyses showed that the obtained whiskers were W single crystals which typical have alloyed particles (Ni-W, Fe-Ni, or Co-Ni-W) at the growth tips. The formed W whiskers were presumed to be induced by the alloyed particles. Our experimental results revealed that, during the reduction process of tungsten oxide, the pre-reduced Ni, Fe-Ni, or Co-Ni particles not only served as nucleation aids for the initial growth of W phase from W oxide but also played the roles of catalysts during the reductive decomposition of gaseous WO 2 (OH) 2 .

  8. Exchange bias variations of the seed and top NiFe layers in NiFe/FeMn/NiFe trilayer as a function of seed layer thickness

    International Nuclear Information System (INIS)

    Sankaranarayanan, V.K.; Yoon, S.M.; Kim, C.G.; Kim, C.O.

    2005-01-01

    Development of exchange bias at the seed and top NiFe layers in the NiFe (t nm)/FeMn(10 nm)/NiFe(5 nm) trilayer structure is investigated as a function of seed layer thickness, in the range of 2-20 nm. The seed NiFe layer shows maximum exchange bias at 4 nm seed layer thickness. The bias shows inverse thickness dependence with increasing thickness. The top NiFe layer on the other hand shows only half the bias of the seed layer which is retained even after the sharp fall in seed layer bias. The much smaller bias for the top NiFe layer is related to the difference in crystalline texture and spin orientations at the top FeMn/NiFe interface, in comparison to the bottom NiFe/FeMn interface which grows on a saturated NiFe layer with (1 1 1) orientation

  9. An Ultrastable and High-Performance Flexible Fiber-Shaped Ni-Zn Battery based on a Ni-NiO Heterostructured Nanosheet Cathode.

    Science.gov (United States)

    Zeng, Yinxiang; Meng, Yue; Lai, Zhengzhe; Zhang, Xiyue; Yu, Minghao; Fang, Pingping; Wu, Mingmei; Tong, Yexiang; Lu, Xihong

    2017-11-01

    Currently, the main bottleneck for the widespread application of Ni-Zn batteries is their poor cycling stability as a result of the irreversibility of the Ni-based cathode and dendrite formation of the Zn anode during the charging-discharging processes. Herein, a highly rechargeable, flexible, fiber-shaped Ni-Zn battery with impressive electrochemical performance is rationally demonstrated by employing Ni-NiO heterostructured nanosheets as the cathode. Benefiting from the improved conductivity and enhanced electroactivity of the Ni-NiO heterojunction nanosheet cathode, the as-fabricated fiber-shaped Ni-NiO//Zn battery displays high capacity and admirable rate capability. More importantly, this Ni-NiO//Zn battery shows unprecedented cyclic durability both in aqueous (96.6% capacity retention after 10 000 cycles) and polymer (almost no capacity attenuation after 10 000 cycles at 22.2 A g -1 ) electrolytes. Moreover, a peak energy density of 6.6 µWh cm -2 , together with a remarkable power density of 20.2 mW cm -2 , is achieved by the flexible quasi-solid-state fiber-shaped Ni-NiO//Zn battery, outperforming most reported fiber-shaped energy-storage devices. Such a novel concept of a fiber-shaped Ni-Zn battery with impressive stability will greatly enrich the flexible energy-storage technologies for future portable/wearable electronic applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Synthesis of a novel Au nanoparticles decorated Ni-MOF/Ni/NiO nanocomposite and electrocatalytic performance for the detection of glucose in human serum.

    Science.gov (United States)

    Chen, Jingyuan; Xu, Qin; Shu, Yun; Hu, Xiaoya

    2018-07-01

    A nonenzymatic glucose electrochemical sensor was constructed based on Au nanoparticles (AuNPs) decorated Ni metal-organic-framework (MOF)/Ni/NiO nanocomposite. Ni-MOF/Ni/NiO nanocomposite was synthesized by one-step calcination of Ni-MOF. Then AuNPs were loaded onto the Ni-based nanocomposites' surface through electrostatic adsorption. Through characterization by transmission electron microscopy (TEM), high resolution TEM (HRTEM) and energy disperse spectroscopy (EDS) mapping, it is found that the AuNPs were well distributed on the surface of Ni-based nanocomposite. Cyclic voltammetric (CV) study showed the electrocatalytic activity of Au-Ni nanocomposite was highly improved after loading AuNPs onto it. Amperometric study demonstrated that the Au-Ni nanocomposites modified glassy carbon electrode (GCE) exhibited a high sensitivity of 2133.5 mA M -1 cm -2 and a wide linear range (0.4-900 μM) toward the oxidation of glucose with a detection limit as low as 0.1 μM. Moreover, the reproducibility, selectivity and stability of the sensor all exhibited outstanding performance. We applied the as-fabricated high performance sensor to measure the glucose levels in human serum and obtained satisfactory results. It is believed that AuNPs decorated Ni MOF/Ni/NiO nanocomposite provides a new platform for developing highly performance electrochemical sensors in practical applications. Copyright © 2018 Elsevier B.V. All rights reserved.

  11. Ni antagelser om Situationel Dialektisk Videnskabsteori

    DEFF Research Database (Denmark)

    Dakwar, Julia Rytter; Lorentzen, Anne-Christine Rosfeldt; Smedegaard, Flemming

    2017-01-01

    I artiklen præsenteres et præliminært bud på en Situationel Dialektisk Videnskabsteori (SDV) i form af ni antagelser. Situationel, fordi antagelserne ikke er statiske, men alle overvejelser og valg under de enkelte antagelser er afhængige af situationen. Dialektisk, fordi alle ni antagelser...... opererer med dialektiske modsætninger, og alle videnskabsteoretiske valg ses som valg på kontinua. De ni antagelser, som bliver præsenteret og diskuteret i artiklen, er: Antagelse 1: Teori og praksis fordrer hinanden Antagelse 2: Del og helhed hænger sammen Antagelse 3: Forbundne sagsforhold påvirker...

  12. New developments in Ni/Ti multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, I; Hoghoj, P [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    It is now 20 years since super-mirrors were first used as a neutron optical element. Since then the field of multilayer neutron-optics has matured with multilayers finding their way to application in many neutron scattering instruments. However, there is still room for progress in terms of multilayer quality, performance and application. Along with work on multilayers for neutron polarisation Ni/Ti super-mirrors have been optimised. The state-of-the-art Ni/Ti super-mirror performance and the results obtained in two neutron-optics applications of Ni/Ti multilayers are presented. (author).

  13. Site occupancy of Fe in ternary Ni 75-x

    Indian Academy of Sciences (India)

    The results of a detailed structural and magnetic study clearly indicate that regardless of the thermal history of the samples, Fe has a strong preference for the Ni sites in Ni-poor (non-stoichiometric) Ni75Al25 alloys. Fe substitution has a profound effect on the nature of magnetism in Ni75Al25.

  14. Reduction of a Ni/Spinel Catalyst for Methane Reforming

    DEFF Research Database (Denmark)

    Kehres, Jan; Andreasen, Jens Wenzel; Fløystad, Jostein Bø

    2015-01-01

    microscopy (HRTEM) was performed on the fresh catalyst sample. The Ni particles in the fresh catalyst sample were observed to exhibit a Ni/NiO core/shell structure. A decrease of the Ni lattice parameter is observed during the reduction in a temperature interval from 413 – 453 K, which can be related...

  15. Influence of Ni Solute segregation on the intrinsic growth stresses in Cu(Ni) thin films

    International Nuclear Information System (INIS)

    Kaub, T.M.; Felfer, P.; Cairney, J.M.; Thompson, G.B.

    2016-01-01

    Using intrinsic solute segregation in alloys, the compressive stress in a series of Cu(Ni) thin films has been studied. The highest compressive stress was noted in the 5 at.% Ni alloy, with increasing Ni concentration resulting in a subsequent reduction of stress. Atom probe tomography quantified Ni's Gibbsian interfacial excess in the grain boundaries and confirmed that once grain boundary saturation is achieved, the compressive stress was reduced. This letter provides experimental support in elucidating how interfacial segregation of excess adatoms contributes to the post-coalescence compressive stress generation mechanism in thin films. - Graphical abstract: Cu(Ni) film stress relationship with Ni additions. Atom probe characterization confirms solute enrichment in the boundaries, which was linked to stress response.

  16. NiCo-lead zirconium titanate-NiCo trilayered magnetoelectric composites prepared by electroless deposition

    International Nuclear Information System (INIS)

    Zhou, M. H.; Wang, Y. G.; Bi, K.; Fan, H. P.; Zhao, Z. S.

    2015-01-01

    The NiCo layers with various Ni/Co atomic ratio have been successfully electroless deposited on PZT layers by varying the bath composition. As the cobalt atomic ratio in the deposited layer increases from 17.2 to 54.8 wt%, the magnetostrictive coefficient decreases. The magnetoelectric effect depends strongly on the magnetostrictive properties of magnetostrictive phase. The magnetoelectric coefficient of NiCo/PZT/NiCo trilayers increases with Ni/Co atomic ratio of the deposited NiCo layers increasing from 45:55 to 83:17. A maximum ME voltage coefficient of α E,31 = 2.8 V ⋅ cm −1 ⋅ Oe −1 is obtained at a frequency of about 88 kHz, which makes these trilayers suitable for applications in actuators, transducers and sensors

  17. NiCo-lead zirconium titanate-NiCo trilayered magnetoelectric composites prepared by electroless deposition

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, M. H.; Wang, Y. G.; Bi, K., E-mail: bike@bupt.edu.cn [State Key Laboratory of Information Photonics and Optical Communications and School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Fan, H. P. [School of Mechanical and Electrical Engineering, Qingdao Technological University Qindao College, Qingdao 266106 (China); Zhao, Z. S. [Shandong Engineering Consulting Institute, Jinan 250013 (China)

    2015-04-15

    The NiCo layers with various Ni/Co atomic ratio have been successfully electroless deposited on PZT layers by varying the bath composition. As the cobalt atomic ratio in the deposited layer increases from 17.2 to 54.8 wt%, the magnetostrictive coefficient decreases. The magnetoelectric effect depends strongly on the magnetostrictive properties of magnetostrictive phase. The magnetoelectric coefficient of NiCo/PZT/NiCo trilayers increases with Ni/Co atomic ratio of the deposited NiCo layers increasing from 45:55 to 83:17. A maximum ME voltage coefficient of α{sub E,31} = 2.8 V ⋅ cm{sup −1} ⋅ Oe{sup −1} is obtained at a frequency of about 88 kHz, which makes these trilayers suitable for applications in actuators, transducers and sensors.

  18. Fe-solubility of Ni7S6 and Ni9S8: Thermodynamic analysis

    International Nuclear Information System (INIS)

    Waldner, P.

    2011-01-01

    Experimental data on phase equilibria have been used for thermodynamic analysis of the iron solubility of the nickel sulfides Ni 7 S 6 and Ni 9 S 8 . For both compounds, a two-sublattice approach within the framework of the compound energy formalism has been applied to perform Gibbs free energy modelling at 0.1 MPa total pressure consistently embedded in recent thermodynamic assessment studies of other iron-nickel-sulfides. The predicted maxima of iron solubility around 3 at% of Ni 7 S 6 and 5.5 at% of Ni 9 S 8 are confirmed by experimental data. The calculations of complex ternary phase relations with Fe-bearing Ni 7 S 6 and Ni 9 S 8 gain further improvement. The first internally consistent description of all thermodynamically stable phases known in the literature for the iron-nickel-sulfur system is completed.

  19. Phase stability and magnetism in NiPt and NiPd alloys

    International Nuclear Information System (INIS)

    Paudyal, Durga; Mookerjee, Abhijit

    2004-01-01

    We show that the differences in stability of 3d-5d NiPt and 3d-4d NiPd alloys arise mainly due to relativistic corrections. The magnetic properties of disordered NiPd and NiPt alloys also differ due to these corrections, which lead to increase in the separation between the s-d bands of 5d elements in these alloys. For the magnetic case we also analyse the results in terms of splitting of majority and minority spin d band centres of the 3d elements. We further examine the effect of relativistic corrections to the pair energies and order-disorder transition temperatures in these alloys. The magnetic moments and Curie temperatures have also been studied along with the short range ordering/segregation effects in NiPt/NiPd alloys

  20. Effects of crystallite size on the structure and magnetism of ferrihydrite

    NARCIS (Netherlands)

    Wang, Xiaoming; Zhu, Mengqiang; Koopal, L.K.; Li, Wei; Xu, Wenqian; Liu, Fan; Zhang, Jing; Liu, Qingsong; Feng, Xionghan; Sparks, D.L.

    2016-01-01

    The structure and magnetic properties of nano-sized (1.6 to 4.4 nm) ferrihydrite samples are systematically investigated through a combination of X-ray diffraction (XRD), X-ray pair distribution function (PDF), X-ray absorption spectroscopy (XAS) and magnetic analyses. The XRD, PDF and Fe K-edge

  1. Precipitation of Ni4Ti3-variants in a polycrystalline Ni-rich NiTi shape memory alloy

    Czech Academy of Sciences Publication Activity Database

    Bojda, Ondřej; Eggeler, G.; Dlouhý, Antonín

    2005-01-01

    Roč. 53, č. 1 (2005), s. 99-104 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA106/05/0918 Institutional research plan: CEZ:AV0Z20410507 Keywords : NiTi shape memory alloys * Ni4Ti3 precipitation * Transmission electron microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.228, year: 2005

  2. Ni-Ni ion pair excitation transfer in D sub(3h) symmetry

    International Nuclear Information System (INIS)

    Terrile, M.C.

    1990-01-01

    The mechanisms contributing to excitation transfer are examined for Ni-Ni ion pairs in order to explain the delocalized character of electronic excitations observed in CsNiF sub(3). Using both first-and second-order perturbation theory and from symmetry arguments, the kind of interactions giving matrix elements between states connecting different sites for the position of the excitation are discussed. (author)

  3. Electronic structure of graphene on Ni surfaces with different orientation

    International Nuclear Information System (INIS)

    Pudikov, D.A.; Zhizhin, E.V.; Rybkin, A.G.; Rybkina, A.A.; Zhukov, Y.M.; Vilkov, O. Yu.; Shikin, A.M.

    2016-01-01

    An experimental study of the graphene, synthesized by propylene cracking on Ni surfaces with different orientation: (100) and (111), using angle-resolved photoemission, has been performed. It has been shown that graphene on Ni(111) had a perfect lateral structure due to consistency of their lattices, whereas graphene/Ni(100) consisted of a lot of domains. For both systems electronic structure was quite similar and demonstrated a strong bonding of graphene to the underlying Ni surface. After Au intercalation the electronic structure of graphene in both systems was shifted to the Fermi level and became linear in the vicinity of the K point of the Brillouin zone. - Highlights: • Graphene on Ni(111) is well-ordered, whereas on Ni(100) – multi-domain. • Graphene on Ni(111) and Ni(100) is strongly bonded with substrate. • Intercalation of Au atoms restores the linearity in dispersion and makes graphene quasi-free on both Ni(100) and Ni(111).

  4. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Kabir, L.; Mandal, A.R. [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India); Mandal, S.K., E-mail: sk_mandal@hotmail.co [Department of Physics, Visva-Bharati, Santiniketan-731 235 (India)

    2010-04-15

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni{sup 2+} clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni{sup 2+} clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  5. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    Science.gov (United States)

    Kabir, L.; Mandal, A. R.; Mandal, S. K.

    2010-04-01

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  6. Polymer stabilized Ni-Ag and Ni-Fe alloy nanoclusters: Structural and magnetic properties

    International Nuclear Information System (INIS)

    Kabir, L.; Mandal, A.R.; Mandal, S.K.

    2010-01-01

    We report here the structural and magnetic behaviors of nickel-silver (Ni-Ag) and nickel-iron (Ni-Fe) nanoclusters stabilized with polymer (polypyrrole). High resolution transmission electron microscopy (HRTEM) indicates Ni-Ag nanoclusters to stabilize in core-shell configuration while that of Ni-Fe nanoclusters in a mixed type of geometry. Structural characterizations by X-ray diffraction (XRD) reveal the possibility of alloying in such bimetallic nanoclusters to some extent even at temperatures much lower than that of bulk alloying. Electron paramagnetic resonance (EPR) spectra clearly reveal two different absorption behaviors: one is ascribed to non-isolated Ni 2+ clusters surrounded by either silver or iron giving rise to a broad signal, other (very narrow signal) being due to the isolated superparamagnetic Ni 2+ clusters or bimetallic alloy nanoclusters. Results obtained for Ni-Ag and Ni-Fe nanoclusters have been further compared with the behavior exhibited by pure Ni nanoclusters in polypyrrole host. Temperature dependent studies (at 300 and 77 K) of EPR parameters, e.g. linewidth, g-value, line shape and signal intensity indicating the significant influence of surrounding paramagnetic silver or ferromagnetic iron within polymer host on the EPR spectra have been presented.

  7. Modeling and simulation of NiO dissolution and Ni deposition in molten carbonate fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Suk Woo; Choi, Hyung-Joon; Lim, Tae Hoon [Korea Institute of Science & Technology, Seoul (Korea, Republic of)] [and others

    1996-12-31

    Dissolution of NiO cathode into the electrolyte matrix is an important phenomena limiting the lifetime of molten carbonate fuel cell (MCFC). The dissolved nickel diffuses into the matrix and is reduced by dissolved hydrogen leading to the formation of metallic nickel films in the pores of the matrix. The growth of Ni films in the electrolyte matrix during the continuous cell operation results eventually in shorting between cathode and anode. Various mathematical and empirical models have been developed to describe the NiO dissolution and Ni deposition processes, and these models have some success in estimating the lifetime of MCFC by correlating the amount of Ni deposited in the matrix with shorting time. Since the exact mechanism of Ni deposition was not well understood, deposition reaction was assumed to be very fast in most of the models and the Ni deposition region was limited around a point in the matrix. In fact, formation of Ni films takes place in a rather broad region in the matrix, the location and thickness of the film depending on operating conditions as well as matrix properties. In this study, we assumed simple reaction kinetics for Ni deposition and developed a mathematical model to get the distribution of nickel in the matrix.

  8. Layering and temperature-dependent magnetization and anisotropy of naturally produced Ni/NiO multilayers

    Energy Technology Data Exchange (ETDEWEB)

    Pappas, S. D.; Trachylis, D.; Velgakis, M. J. [Laboratory of High-Tech Materials, School of Engineering, University of Patras, 26504 Patras (Greece); Kapaklis, V.; Joensson, P. E.; Papaioannou, E. Th. [Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala (Sweden); Delimitis, A. [Chemical Process Engineering Research Institute (CPERI), Centre for Research and Technology Hellas (CERTH), 57001 Thermi, Thessaloniki (Greece); Poulopoulos, P. [Laboratory of High-Tech Materials, School of Engineering, University of Patras, 26504 Patras (Greece); Institut fuer Experimentalphysik, Freie Universitaet Berlin, Arnimallee 14, D-14195 Berlin-Dahlem (Germany); Materials Science Department, University of Patras, 26504 Patras (Greece); Fumagalli, P. [Institut fuer Experimentalphysik, Freie Universitaet Berlin, Arnimallee 14, D-14195 Berlin-Dahlem (Germany); Politis, C. [Laboratory of High-Tech Materials, School of Engineering, University of Patras, 26504 Patras (Greece); Department of Materials Science and Engineering, University of Texas at Arlington, Arlington, Texas 76019 (United States)

    2012-09-01

    Ni/NiO multilayers were grown by magnetron sputtering at room temperature, with the aid of the natural oxidation procedure. That is, at the end of the deposition of each single Ni layer, air is let to flow into the vacuum chamber through a leak valve. Then, a very thin NiO layer ({approx}1.2 nm) is formed. Simulated x-ray reflectivity patterns reveal that layering is excellent for individual Ni-layer thickness larger than 2.5 nm, which is attributed to the intercalation of amorphous NiO between the polycrystalline Ni layers. The magnetization of the films, measured at temperatures 5-300 K, has almost bulk-like value, whereas the films exhibit a trend to perpendicular magnetic anisotropy (PMA) with an unusual significant positive interface anisotropy contribution, which presents a weak temperature dependence. The power-law behavior of the multilayers indicates a non-negligible contribution of higher order anisotropies in the uniaxial anisotropy. Bloch-law fittings for the temperature dependence of the magnetization in the spin-wave regime show that the magnetization in the multilayers decreases faster as a function of temperature than the one of bulk Ni. Finally, when the individual Ni-layer thickness decreases below 2 nm, the multilayer stacking vanishes, resulting in a dramatic decrease of the interface magnetic anisotropy and consequently in a decrease of the perpendicular magnetic anisotropy.

  9. XRD studies on solid state amorphisation in electroless Ni/P and Ni/B deposits

    International Nuclear Information System (INIS)

    Sampath Kumar, P.; Kesavan Nair, P.

    1996-01-01

    The decomposition of electroless Ni-P and Ni-B deposits on annealing at various temperature is studied using x-ray diffraction techniques employing profile deconvolution and line profile analysis. It appears that solid state amorphisation takes place in the Ni-B deposits in a narrow temperature range just prior to the onset of crystallization of amorphous phase. In the case of Ni-P deposits no evidence for solid state amorphisation could be obtained. Thermodynamic and kinetic considerations also support such a conclusion

  10. Ni adsorption and Ni-Al LDH precipitation in a sandy aquifer: An experimental and mechanistic modeling study

    NARCIS (Netherlands)

    Regelink, I.C.; Temminghoff, E.J.M.

    2011-01-01

    Mining activities and industries have created nickel (Ni) contaminations in many parts of the world. The objective of this study is to increase our understanding of Ni adsorption and Nickel-Aluminium Layered Double Hydroxide (Ni-Al LDH) precipitation to reduce Ni mobility in a sandy soil aquifer. At

  11. Core/shell AgNi/PtAgNi nanoparticles as methanol-tolerant oxygen reduction electrocatalysts

    International Nuclear Information System (INIS)

    Wu, Dengfeng; Cheng, Daojian

    2015-01-01

    A core/shell AgNi/PtAgNi nanoparticle (NP) was synthesized via a new seed-mediated growth method in organic solvent medium. The as-synthesized AgNi/PtAgNiNP exhibits an AgNi core coated with PtAgNi shell, which was confirmed by transmission electron microscopy (TEM), ultraviolet–visible absorption spectroscopy and X-ray Photoelectron Spectroscopy (XPS). The AgNi/PtAgNiNPs/C catalyst possesses higher oxygen reduction reaction (ORR) activity and better durability compared with the commercial Pt/C catalyst. It is found that the ORR polarization curve of the AgNi/PtAgNiNPs/C catalyst shows an onset potential of 0.91 V vs. RHE, which is superior to the commercial Pt/C (0.88 V vs. RHE). In addition, the AgNi/PtAgNiNPs/C catalyst shows much better durability than the commercial Pt/C catalyst. More interestingly, the AgNi/PtAgNiNPs/C catalyst displays much higher methanol tolerance than the commercial Pt/C catalyst in 0.1 M KOH solution in the presence of 0.5 M methanol. Our results show that core/shell AgNi/PtAgNiNPs possess selective activity for ORR even in the presence of methanol, showing potential application as methanol-tolerant cathode catalysts in direct methanol fuel cells.

  12. Grain boundaries in Ni3Al. 2

    International Nuclear Information System (INIS)

    Kung, H.; Sass, S.L.

    1992-01-01

    This paper discusses the dislocation structure of small angle tilt and twist boundaries in ordered Ni 3 Al, with and without boron, investigated using transmission electron microscopy. Dislocation with Burgers vectors that correspond to anti-phase boundary (APB)-coupled superpartials were found in small angle twist boundaries in both boron-free and boron-doped Ni 3 Al, and a small angle tilt boundary in boron-doped Ni 3 Al. The boundary structures are in agreement with theoretical models proposed by Marcinkowski and co-workers. The APB energy determined from the dissociation of the grain boundary dislocations was lower than values reported for isolated APBs in Ni 3 Al. For small angle twist boundaries the presence of boron reduced the APB energy at the interface until it approached zero. This is consistent with the structure of these boundaries containing small regions of increased compositional disorder in the first atomic plane next to the interface

  13. Ni-ZrB2 electrocomposites

    International Nuclear Information System (INIS)

    Pushpavanam, M.; Natarajan, S.R.

    1992-01-01

    New generation materials require high temperature oxidation resistance besides many other tribological properties. Ni-ZrB 2 composites and their properties are dealt with in this paper. (author). 7 refs., 3 figs., 4 tabs

  14. Not in Traffic Surveillance (NiTS)

    Data.gov (United States)

    Department of Transportation — The Not-in-Traffic Surveillance (NiTS) system is a virtual data collection system designed to provide counts and details regarding fatalities and injuries that occur...

  15. Niños y Violencia

    OpenAIRE

    International Child Development Centre

    1997-01-01

    Este Innocenti Digest explora la violencia de los niños y hacia los niños, usando el marco de la Convención de los Derechos del Niño de las Naciones Unidas. Se centra en la violencia interpersonal, tanto intrafamiliar como extrafamiliar. Se incluye el abuso sexual y la explotación ya que a pesar de no implicar obligatoriamente violencia o coerción, la mayor parte de la evidencia demuestra su efectos dañinos tanto físicos como psicológicos. También se discute la implicación de los niños en los...

  16. Collision strengths for transitions in Ni XIX

    Indian Academy of Sciences (India)

    4l configurations of Ni XIX, for which flexible atomic code. (FAC) has been ... atomic data (namely energy levels, radiative rates, collision strengths, excitation rates, etc.) ... Zhang and Sampson, who adopted the Coulomb–Born-exchange.

  17. Root morphology of Ni-treated plants

    International Nuclear Information System (INIS)

    Leskova, A.; Fargasova, A.; Giehl, R. F. H.; Wiren, N. von

    2015-01-01

    Plant roots are very important organs in terms of nutrient and water acquisition but they also serve as anchorages for the aboveground parts of the plants. The roots display extraordinary plasticity towards stress conditions as a result of integration of environmental cues into the developmental processes of the roots. Our aim was to investigate the root morphology of Arabidopsis thaliana plants exposed to a particular stress condition, excess Ni supply. We aimed to find out which cellular processes - cell division, elongation and differentiation are affected by Ni, thereby explaining the seen root phenotype. Our results reveal that a distinct sensitivity exists between roots of different order and interference with various cellular processes is responsible for the effects of Ni on roots. We also show that Ni-treated roots have several auxin-related phenotypes. (authors)

  18. Density and Structure Analysis of Molten Ni-W Alloys

    Institute of Scientific and Technical Information of China (English)

    Feng XIAO; Liang FANG

    2004-01-01

    Density of molten Ni and Ni-W alloys was measured in the temperature range of 1773~1873 K with a sessile drop method.The density of molten Ni and Ni-W alloys trends to decrease with increasing temperature. The density and molar volume of the alloys trend to increase with increasing W concentration in the alloys. The calculation result shows an ideal mixing of Ni-W alloys.

  19. Fe-Cr-Ni system alloys

    International Nuclear Information System (INIS)

    Levin, F.L.

    1986-01-01

    Phase diagram of Fe-Cr-Ni system, which is the basic one for production of corrosion resistant alloys, is considered. Data on corrosion resistance of such alloys are correlated depending on a number of factors: quality and composition of modifying elements, corrosion medium, temperature, alloy structure, mechanical and thermal treatment. Grades of Fe-Ni-Cr alloys are presented, and fields of their application are pointed out

  20. Synthesis of Ni3Ta, Ni2Ta and NiTa by high-energy ball milling and subsequent heat treatment

    International Nuclear Information System (INIS)

    Benites, H.S.N.; Silva, B.P da; Ramos, A.S.; Silva, A.A.A.P.; Coelho, G.C.; Lima, B.B. de

    2014-01-01

    The tantalum has relevance for the development of multicomponent Ni-based superalloys which are hardened by solid solution and precipitation mechanisms. Master alloys are normally used in the production step in order to produce refractory metals and alloys. The present work reports on the synthesis of Ni_3Ta, Ni_2Ta and NiTa by high-energy ball milling and subsequent heat treatment. The elemental Ni-25Ta, Ni-33Ta and Ni-50Ta (at.-%) powder mixtures were ball milled under Ar atmosphere using stainless steel balls and vials, 300 rpm and a ball-to-powder weight ratio of 10:1. Following, the as-milled samples were uniaxially compacted and heat-treated at 1100 deg C for 4h under Ar atmosphere. The characterization of as-milled and heat-treated samples was conducted by means of X-ray diffraction, scanning electron microscopy, and energy dispersive spectrometry. A large amount of Ni_3Ta, Ni_2Ta and NiTa was formed in the mechanically alloyed heat-treated Ni-25Ta, Ni-33Ta and Ni-50Ta alloys. (author)

  1. The complex transfer reaction (14C, 15O) on Ni, Zn and Ge targets: existence and mass of 69Ni

    International Nuclear Information System (INIS)

    Dessagne, P.; Bernas, M.; Langevin, M.; Pougheon, F.; Roussel, P.; Morrison, G.C.

    1984-01-01

    The ( 14 C, 15 O) complex transfer reaction has been studied at 72 MeV incident energy on 58 Ni, 60 Ni, 62 Ni, 64 Ni, 68 Zn, 70 Zn and 74 Ge, 76 Ge targets. Spectra and differential cross sections have been measured in a 5 0 angular range centred around a laboratory angle of 6 0 . The nucleus 69 Ni has been observed and its mass determined for the first time

  2. Electroless Ni-P/Ni-B duplex coatings: preparation and evaluation of microhardness, wear and corrosion resistance

    International Nuclear Information System (INIS)

    Narayanan, T.S.N. Sankara; Krishnaveni, K.; Seshadri, S.K.

    2003-01-01

    The present work deals with the formation of Ni-P/Ni-B duplex coatings by electroless plating process and evaluation of their hardness, wear resistance and corrosion resistance. The Ni-P/Ni-B duplex coatings were prepared using dual baths (acidic hypophosphite- and alkaline borohydride-reduced electroless nickel baths) with both Ni-P and Ni-B as inner layers and with varying single layer thickness. Scanning electron microscopy (SEM) was used to assess the duplex interface. The microhardness, wear resistance and corrosion resistance of electroless nickel duplex coatings were compared with electroless Ni-P and Ni-B coatings of similar thickness. The study reveals that the Ni-P and Ni-B coatings are amorphous in their as-plated condition and upon heat-treatment at 450 deg. C for 1 h, both Ni-P and Ni-B coatings crystallize and produce nickel, nickel phosphide and nickel borides in the respective coatings. All the three phases are formed when Ni-P/Ni-B and Ni-B/Ni-P duplex coatings are heat-treated at 450 deg. C for 1 h. The duplex coatings are uniform and the compatibility between the layers is good. The microhardness, wear resistance and corrosion resistance of the duplex coating is higher than Ni-P and Ni-B coatings of similar thickness. Among the two types of duplex coatings studied, hardness and wear resistance is higher for coatings having Ni-B coating as the outer layer whereas better corrosion resistance is offered by coatings having Ni-P coating as the outer layer

  3. Heavy metal environmental impact. Nickel (Ni); Impatto ambientale da metalli pesanti. Il Nichel (Ni)

    Energy Technology Data Exchange (ETDEWEB)

    Bressa, G. [Padua Univ. Padua (Italy). Dipt. di Farmacologia, Lab. di Tossicologia

    2001-02-01

    Nickel (Ni) is a heavy metal in over 3.000 different alloys used to produce kitchen utensils, batteries, coins, etc.. Human extractive and industrial activities are therefore a cause for environmental dispersion of this metal into the biosphere. This shows how in urban areas car traffic and house-heating are the main sources of nickel pollution. Nickel is relatively non-toxic, such as iron, cobalt, copper and zinc; nevertheless prolonged inhalation of dust containing such compounds as Ni O or NiCl{sub 2} concurs in the outbreak of respiratory pathologies. The carcinogenic effect of such compounds as Ni S, Ni O and Ni(CO){sub 4} has been confirmed by experiments on laboratory animals. Ni potentially toxic concentrations, and as a consequence of potential environmental impact, are to be mainly found in populated areas where the main sources are represented by industries and landfills. [Italian] Il nichel (Ni) e' un metallo presente in oltre 3.000 differenti leghe che vengono utilizzate per la produzione di utensili da cucina, batterie, monete, ecc.. Le attivita' estrattive ed industriali dell'uomo sono quindi causa di una dispersione del metallo nella biosfera. Sono stati riscontrati elevati tassi di Ni nell'atmosfera di aree urbane. Cio' sta a dimostrare che nelle aree urbane il traffico automobilistico e il riscaldamento domestico sono le fonti principali di inquinamento da tale metallo. Il nichel e' relativamente atossico, analogamente a ferro, cobalto, rame e zinco, tuttavia l'inalazione protratta di polveri contenenti composti come il NiO o il NiCl{sub 2} contribuisce al manifestarsi di patologie dell'apparato respiratorio. E' stato confermato sperimentalmente su animali da laboratorio l'effetto cancerogeno di alcuni composti quali NiS, NiO e Ni(CO){sub 4}. Concentrazioni potenzialmente tossiche di Ni, e quindi di probabile impatto ambientale, sono maggiormente da ricercare nelle zone antropizzate dove le fonti

  4. Ultrathin NiO/NiFe2O4 Nanoplates Decorated Graphene Nanosheets with Enhanced Lithium Storage Properties

    International Nuclear Information System (INIS)

    Du, Dejian; Yue, Wenbo; Fan, Xialu; Tang, Kun; Yang, Xiaojing

    2016-01-01

    Highlights: • Ultrathin NiO/NiFe 2 O 4 nanoplates derived from NiFe layered double hydroxides are fabricated on the graphene. • NiO/NiFe 2 O 4 nanoplates on the graphene show superior electrochemical performance compared to pure NiO/NiFe 2 O 4 aggregates. • The effects of the content and the particle size/component of NiO/NiFe 2 O 4 on the electrochemical performances are studied. • Graphene-encapsulated NiO/NiFe 2 O 4 is prepared and shows slightly decreased performance compared to graphene-based composite. - Abstract: As anode materials for lithium-ion batteries, bicomponent metal oxide composites show high reversible capacities; but the morphology and particle size of the composites are hardly controllable, which may reduce their electrochemical properties. In this work, ultrathin NiO/NiFe 2 O 4 nanoplates with a diameter of 5 ∼ 7 nm and a thickness of ∼2 nm are controllably fabricated on the graphene derived from NiFe layered double hydroxides (NiFe-LDHs), and exhibit superior electrochemical performance compared to pure NiO/NiFe 2 O 4 aggregates without graphene. The nanosized NiO and NiFe 2 O 4 plates are separated from each other and the graphene substrate can prevent the aggregation of NiO/NiFe 2 O 4 as well as enhance the electronic conductivity of the composite, which is beneficial to improving the electrochemical performance. Moreover, the effects of the content and the particle size/component of NiO/NiFe 2 O 4 on the electrochemical performances are also studied in order to achieve optimal performance. Ultrathin NiO/NiFe 2 O 4 nanoplates are further encapsulated by graphene nanosheets and show slightly decreased performance compared to those supported by graphene nanosheets. The different electrochemical behaviors of graphene-containing composites may be attributed to the different interactions between graphene nanosheets and NiO/NiFe 2 O 4 nanoplates.

  5. Investigation into the MgF2-NiF2, CaF2-NiF2, SrF2-NiF2 systems

    International Nuclear Information System (INIS)

    Ikrami, D.D.; Petrov, S.V.; Fedorov, P.P.; Ol'khovaya, L.A.; Luginina, A.A.; AN SSSR, Moscow. Inst. Fizicheskikh Problem; AN SSSR, Moscow. Inst. Kristallografii)

    1984-01-01

    Using the methods of differential thermal and X-ray phase analyses the systems MgF 2 -NiF 2 , CaF 2 -NiF 2 , SrF 2 -NiF 2 have been studied. In the system SrF 2 -NiF 2 the only orthorhombic compounds SrNiF 4 (a=14.43; b=3.93; c=5.66 (+-0.01 A)) is formed. SrNiF 4 density constitutes: dsub(X-ray)=4.60+-0.01 g/cm 3 , dsub(exp.)=4.60+-0.03 g/cm 3 . Refraction indices are as follows SrNiF 4 :Ng=1.500; Nsub(m)=1.497; Nsub(p)=1.479. SrNiF 4 magnetic ordering temperature Tsub(N) approximately 100 K

  6. Microstructure and mechanical properties of sputter deposited Ni/Ni{sub 3}Al multilayer films at elevated temperature

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Chao [Shanghai Key Laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration, Shanghai 200240 (China); Feng, Kai, E-mail: fengkai@sjtu.edu.cn [Shanghai Key Laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration, Shanghai 200240 (China); Li, Zhuguo, E-mail: lizg@sjtu.edu.cn [Shanghai Key Laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration, Shanghai 200240 (China); Lu, Fenggui; Huang, Jian; Wu, Yixiong [Shanghai Key Laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration, Shanghai 200240 (China)

    2016-08-15

    Highlights: • Ni/Ni{sub 3}Al multilayers are prepared by magnetron sputtering. • Both grain size and phase constitution of annealed Ni/Ni{sub 3}Al multilayers are dependent on individual layer thickness. • The hardness of annealed Ni/Ni{sub 3}Al multilayers varies with individual layer thickness and annealing temperature. • 40 nm Ni/Ni{sub 3}Al multilayer exhibits excellent hardness at elevated temperature. - Abstract: Nano-structured Ni/Ni{sub 3}Al multilayer was prepared by magnetron sputtering, with individual layer thicknesses h varying from 10 to 160 nm. The microstructure and hardness of Ni/Ni{sub 3}Al multilayer were investigated by X-ray diffraction, transmission electron microscopy and nanoindentation. The results show that the hardness increases with decreasing h for as-deposited and 500 °C annealed multilayers. When annealed at 700 °C, the hardness approach a peak value at h = 40 nm with followed by softening at smaller h. The influence of individual layer thickness, grain size as well as formation of ordered Ni{sub 3}Al on strengthening mechanisms of Ni/Ni{sub 3}Al multilayers at elevated temperature are discussed.

  7. Enhanced Electrocatalytic Activity for Water Splitting on NiO/Ni/Carbon Fiber Paper

    Directory of Open Access Journals (Sweden)

    Ruoyu Zhang

    2016-12-01

    Full Text Available Large-scale growth of low-cost, efficient, and durable non-noble metal-based electrocatalysts for water splitting is crucial for future renewable energy systems. Atomic layer deposition (ALD provides a promising route for depositing uniform thin coatings of electrocatalysts, which are useful in many technologies, including the splitting of water. In this communication, we report the growth of a NiO/Ni catalyst directly on carbon fiber paper by atomic layer deposition and report subsequent reduction and oxidation annealing treatments. The 10–20 nm NiO/Ni nanoparticle catalysts can reach a current density of 10 mA·cm−2 at an overpotential of 189 mV for hydrogen evolution reactions and 257 mV for oxygen evolution reactions with high stability. We further successfully achieved a water splitting current density of 10 mA·cm−2 at 1.78 V using a typical NiO/Ni coated carbon fiber paper two-electrode setup. The results suggest that nanoparticulate NiO/Ni is an active, stable, and noble-metal-free electrocatalyst, which facilitates a method for future water splitting applications.

  8. Ni(salen): a system that forms many solvates with interacting Ni atoms

    NARCIS (Netherlands)

    Siegler, M.A.M.; Lutz, M.

    2009-01-01

    Recrystallization of [N,N’-Ethylene-bis(salicylideneiminato)]-nickel(II) [Ni(salen)] has been carried out from a large selection of solvents. Crystals can be either solvent free or solvates. This study is based on X-ray crystal structure determinations, which include the redetermination of Ni(salen)

  9. Thermal stability of electrodeposited Ni and Ni-Co layers; an EBSD-study

    DEFF Research Database (Denmark)

    Rasmussen, Anette Alsted; Gholinia, A.; Trimby, P.W.

    2004-01-01

    The influence of heat treatment on the microstructure and the microtexture of electrodeposited Ni and Ni-Co layers was investigated with Electron Backscatter Diffraction (EBSD) with high resolution. Samples were annealed for 1 hour at 523 K and 673 K, the temperature region wherein...

  10. The role of Ni in sulfided carbon-supported Ni-Mo hydrodesulfurization catalysts

    NARCIS (Netherlands)

    Bouwens, S.M.A.M.; Barthe-Zahir, N.; Beer, de V.H.J.; Prins, R.

    1991-01-01

    The thiophene hydrodesulfurization activities of Ni and Ni---Mo sulfide catalysts supported on activated carbon were measured at atmospheric pressure and the catalyst structures were studied by means of X-ray photoelectron spectroscopy, dynamic oxygen chemisorption, and chemical sulfur analysis. The

  11. Mechanical properties of NiO/Ni-YSZ composites depending on temperature, porosity and redox cycling

    DEFF Research Database (Denmark)

    Pihlatie, Mikko; Kaiser, Andreas; Mogensen, Mogens Bjerg

    2009-01-01

    The Impulse Excitation Technique (IET) was used to determine the elastic modulus and specific damping of different Ni/NiO-YSZ composites suitable for use in solid oxide fuel cells (SOFC). The porosity of the as-sintered samples varied from 9 to 38% and that of the reduced ones from 31 to 52%. For...

  12. Climate Prediction Center - El Niño/La Niña Home

    Science.gov (United States)

    Weather Service NWS logo - Click to go to the NWS home page Climate Prediction Center Site Map News Information CPC Web Team HOME > El Niño/La Niña Forecasts Current U.S. Climate Outlook SST Forecasts Temperature and Anomalies NOAA/ National Weather Service National Centers for Environmental Prediction Climate

  13. Synthesis and magnetic properties of multilayer Ni/Cu and NiFe/Cu ...

    Indian Academy of Sciences (India)

    The diameter of wires can be easily varied by pore size of alumina, ranging ... saturated HgCl2 solution to remove the remaining Al, and then dipped in 5 wt% ... for NiFe alloy it is 1.3 V, that is higher than for Ni/Cu nanowires to diminish Cu.

  14. Effect of solute atoms on swelling in Ni alloys and pure Ni under He + ion irradiation

    Science.gov (United States)

    Wakai, E.; Ezawa, T.; Imamura, J.; Takenaka, T.; Tanabe, T.; Oshima, R.

    2002-12-01

    The effects of solute atoms on microstructural evolutions have been investigated using Ni alloys under 25 keV He + irradiation at 500 °C. The specimens used were pure Ni, Ni-Si, Ni-Co, Ni-Cu, Ni-Mn and Ni-Pd alloys with different volume size factors. The high number densities of dislocation loops about 1.5×10 22 m -3 were formed in the specimens irradiated to 1×10 19 ions/m 2, and they were approximately equivalent, except for Ni-Si. The mean size of loops tended to increase with the volume size factor of solute atoms. In a dose of 4×10 20 ions/m 2, the swelling was changed from 0.2% to 4.5%, depending on the volume size factors. The number densities of bubbles tended to increase with the absolute values of the volume size factor, and the swelling increased with the volume size factors. This suggests that the mobility of helium and vacancy atoms may be influenced by the interaction of solute atoms with them.

  15. Bonding Strength of Ni/Ni3Al Interface with Different Lattice Misfit

    Institute of Scientific and Technical Information of China (English)

    Ping PENG; Caixing ZHENG; Shaochang HAN; Zhaohui JIN; Rui YANG; Zhuangqi HU

    2003-01-01

    The interfacial binding covalent bond density (CBD) and the local environmental total bond order (LTBO) of the Ni/Ni3Alinterface with different lattice misfits (δ) were calculated by using first-principles discrete variation Xα method. It was foundthat

  16. Electrochemical Behaviour of Ni and Ni-PVC Electrodes for the Electroxidation of Ethanol

    International Nuclear Information System (INIS)

    Mohd Syafiq Hamdan; Norazzizi Nordin; Siti Fathrita Mohd Amir; Riyanto; Mohamed Rozali Othman

    2011-01-01

    In this study, two nickel based electrodes were prepared; nickel foil and nickel-polyvinylchloride (Ni-PVC), in order to study their electrochemical behavior using cyclic voltammetry, CV and chronocoulometry, CC. Ni electrode was prepared from Ni metal foil while Ni-PVC electrode was prepared by mixing a weighed portion of Ni powder and PVC in THF solvent, swirled until the suspension was homogeneous and drying the suspension in an oven at 50 degree Celsius for 3 h. The dry sample was then placed in a 1 cm diameter stainless steel mould and pressed at 10 ton/ cm 2 . From CV data, Ni-PVC electrode showed a better electrochemical behavior compared to Ni metal foil electrode. The use of Ni-PVC electrode at higher concentration of supporting electrolyte (1.0 M KOH) was better than at lower concentration of the same supporting electrolyte in electroxidation of ethanol. In addition to acetic acid, the oxidation of ethanol also produced ethyl acetate and acetaldehyde. (author)

  17. Towards accurate structural characterization of metal centres in protein crystals: the structures of Ni and Cu T6 bovine insulin derivatives

    International Nuclear Information System (INIS)

    Frankaer, Christian Grundahl; Mossin, Susanne; Ståhl, Kenny; Harris, Pernille

    2013-01-01

    The level of structural detail around the metal sites in Ni 2+ and Cu 2+ T 6 insulin derivatives was significantly improved by using a combination of single-crystal X-ray crystallography and X-ray absorption spectroscopy. Photoreduction and subsequent radiation damage of the Cu 2+ sites in Cu insulin was followed by XANES spectroscopy. Using synchrotron radiation (SR), the crystal structures of T 6 bovine insulin complexed with Ni 2+ and Cu 2+ were solved to 1.50 and 1.45 Å resolution, respectively. The level of detail around the metal centres in these structures was highly limited, and the coordination of water in Cu site II of the copper insulin derivative was deteriorated as a consequence of radiation damage. To provide more detail, X-ray absorption spectroscopy (XAS) was used to improve the information level about metal coordination in each derivative. The nickel derivative contains hexacoordinated Ni 2+ with trigonal symmetry, whereas the copper derivative contains tetragonally distorted hexacoordinated Cu 2+ as a result of the Jahn–Teller effect, with a significantly longer coordination distance for one of the three water molecules in the coordination sphere. That the copper centre is of type II was further confirmed by electron paramagnetic resonance (EPR). The coordination distances were refined from EXAFS with standard deviations within 0.01 Å. The insulin derivative containing Cu 2+ is sensitive towards photoreduction when exposed to SR. During the reduction of Cu 2+ to Cu + , the coordination geometry of copper changes towards lower coordination numbers. Primary damage, i.e. photoreduction, was followed directly by XANES as a function of radiation dose, while secondary damage in the form of structural changes around the Cu atoms after exposure to different radiation doses was studied by crystallography using a laboratory diffractometer. Protection against photoreduction and subsequent radiation damage was carried out by solid embedment of Cu insulin

  18. Room-temperature ferromagnetism in Dy films doped with Ni

    Energy Technology Data Exchange (ETDEWEB)

    Edelman, I. [Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036 (Russian Federation)], E-mail: ise@iph.krasn.ru; Ovchinnikov, S. [Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036 (Russian Federation); Siberian Federal University, Av. Svobodnyi 71, Krasnoyarsk 660074 (Russian Federation); Markov, V.; Kosyrev, N.; Seredkin, V.; Khudjakov, A.; Bondarenko, G. [Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036 (Russian Federation); Kesler, V. [Institute of Semiconductor Physics, Siberian Division, Russian Academy of Sciences, Av. Akademika Lavrent' eva 13, Novosibirsk 630090 (Russian Federation)

    2008-09-01

    Temperature, magnetic field and spectral dependences of magneto-optical effects (MOEs) in bi-layer films Dy{sub (1-x)}Ni{sub x}-Ni and Dy{sub (1-x)}(NiFe){sub x}-NiFe were investigated, x changes from 0 to 0.06. Peculiar behavior of the MOEs was revealed at temperatures essentially exceeding the Curie temperature of bulk Dy which is explained by the magnetic ordering of the Dy layer containing Ni under the action of two factors: Ni impurities distributed homogeneously over the whole Dy layer and atomic contact of this layer with continues Ni layer. The mechanism of the magnetic ordering is suggested to be associated with the change of the density of states of the alloy Dy{sub (1-x)}Ni{sub x} owing to hybridization with narrow peaks near the Fermi level character for Ni.

  19. Room-temperature ferromagnetism in Dy films doped with Ni

    International Nuclear Information System (INIS)

    Edelman, I.; Ovchinnikov, S.; Markov, V.; Kosyrev, N.; Seredkin, V.; Khudjakov, A.; Bondarenko, G.; Kesler, V.

    2008-01-01

    Temperature, magnetic field and spectral dependences of magneto-optical effects (MOEs) in bi-layer films Dy (1-x) Ni x -Ni and Dy (1-x) (NiFe) x -NiFe were investigated, x changes from 0 to 0.06. Peculiar behavior of the MOEs was revealed at temperatures essentially exceeding the Curie temperature of bulk Dy which is explained by the magnetic ordering of the Dy layer containing Ni under the action of two factors: Ni impurities distributed homogeneously over the whole Dy layer and atomic contact of this layer with continues Ni layer. The mechanism of the magnetic ordering is suggested to be associated with the change of the density of states of the alloy Dy (1-x) Ni x owing to hybridization with narrow peaks near the Fermi level character for Ni

  20. Elementary martensitic transformation processes in Ni-rich NiTi single crystals with Ni4Ti3 precipitates

    International Nuclear Information System (INIS)

    Michutta, J.; Somsen, Ch.; Yawny, A.; Dlouhy, A.; Eggeler, G.

    2006-01-01

    The present study shows that multiple-step martensitic transformations can be observed in aged Ni-rich NiTi single crystals. Ageing of solution-annealed and water-quenched Ni-rich NiTi single crystals results in a homogeneous precipitation of coherent Ni 4 Ti 3 particles. When the interparticle spacing reaches a critical value (order of magnitude: 200 nm), three distinct transformation processes are observed on cooling from the high-temperature phase using differential scanning calorimetry and in situ transmission electron microscopy. The transformation sequence begins with the formation of R-phase starting from all precipitate/matrix interfaces (first step). The transformation continues with the formation of B19' and its subsequent growth along all precipitate/matrix interfaces (second step). Finally, the matrix in between the precipitates transforms to B19' (third step). Elementary transformation mechanisms which account for two- and three-step transformations in a system with small-scale microstructural heterogeneities were identified

  1. Probing the semi-magicity of $^{68}$Ni via the $^{3}$H($^{66}$Ni,$^{68}$Ni)p two-neutron transfer reaction in inverse kinematics

    CERN Multimedia

    Reiter, P; Blazhev, A A; Kruecken, R; Franchoo, S; Mertzimekis, T; Darby, I G; Van de walle, J; Raabe, R; Elseviers, J; Gernhaeuser, R A; Sorlin, O H; Georgiev, G P; Bree, N C F; Habs, D; Chapman, R; Gaudefroy, L; Diriken, J V J; Jenkins, D G; Kroell, T; Axiotis, M; Huyse, M L; Patronis, N

    We propose to perform the two-neutron transfer reaction $^{3}$H($^{66}$Ni, $^{68}$Ni)$p$ using the ISOLDE radioactive ion beam at 2.7 $A$ MeV and the MINIBALL + T-REX setup to characterize the 0$^{+}$ and 2$^{+}$ states in $^{68}$Ni.

  2. Mechanical alloying of the FeNi-Ag system

    International Nuclear Information System (INIS)

    Gonzalez, G.; Ibarra, D.; Ochoa, J.; Villalba, R.; Sagarzazu, A.

    2007-01-01

    The Fe-Ni-Ag system is of particular interest for its potential applications as soft magnetic granular material with small magnetic grains embedded in a non-magnetic metal matrix. Under equilibrium conditions: Fe-Ag and Ni-Ag are immiscible and Fe-Ni shows complete solubility. These materials are particularly important for magnetoresistivity properties. The properties of these alloys are closely related to their microstructure; therefore, a detailed study of the transformations occurring during milling was undertaken using pre-alloyed Fe x Ni 100-x (x = 30, 50 and 70) further milled with different Ag content to give the following alloys compositions (Fe x -Ni 100-x ) 100-y Ag y (y = 5, 20, 60). Consolidation of the mechanically alloyed powders by sintering at 950 o C was performed. Morphological and structural characterization of the sintered powders was carried out by scanning and transmission electron microscopy and X-ray diffraction. Fe 30 Ni 70 and Fe 50 Ni 50 formed ordered FeNi 3 compound. Fe 70 Ni 30 showed the formation of a mixture of γ-(Fe,Ni) and α-Fe(Ni) solid solutions. The mixture of these systems with Ag showed the metal solid solutions surrounded by Ag islands of Fe x Ni y -Ag, There was also evidence of Ag diffusing into the γ-(Fe,Ni). High Ag content (60%) shows formation of islands of FeNi surrounded by Ag. Sintering is always improved with the Ag content

  3. Effect of amount of glycine as fuel in obtaining nanocomposite Ni/NiO

    International Nuclear Information System (INIS)

    Simoes, A.N.; Simoes, V.N.; Neiva, L.S.; Quirino, M.R.; Vieira, D.A.; Gama, L.

    2010-01-01

    This paper proposes to investigate the effect of the amount of glycine in obtaining nanocomposite Ni/NiO synthesized by combustion reaction technique. The amount of glycine used was calculated on the stoichiometric composition of 50% and 100%. Characterizations by X-ray diffraction (XRD), N2 adsorption by the BET method and scanning electron microscopy (SEM) were performed with powder of Ni/NiO result. The analysis of X-ray diffraction showed the presence of crystalline NiO phase in the presence of nickel as a secondary phase, whose amount increased with the amount of glycine. Increasing the concentration of glycine also caused an increase in surface area, which ranged from 1.1 to 1.4 m 2 /g. The micrographs revealed the formation of soft agglomerates with porous appearance and easy dispersions. It can be concluded that the synthesis is effective to obtain nanosized powders. (author)

  4. Neutron enrichment at midrapidity in 58Ni + 58Ni at 52 MeV/u

    International Nuclear Information System (INIS)

    Theriault, D.; Vallee, A.; Gingras, L.; Larochelle, Y.; Roy, R.; April, A.; Beaulieu, L.; Grenier, F.; Lemieux, F.; Moisan, J.; Samri, M.; Saint-Pierre, C.; Turbide, S.; Yennello, S.J.; Martin, E.; Winchester, E.

    2003-01-01

    By combining data from a charged particle 58 Ni + 58 Ni experiment at 52 MeV/u with an 36 Ar + 58 Ni experiment at 50 MeV/u for which free neutrons have been detected, an increase in the neutron to proton ratio of the whole nuclear material at midrapidity has been experimentally observed in the reaction 58 Ni + 58 Ni at 52 MeV/u. The neutron to proton ratio is measured above the initial neutron to proton ratio of the system. Neutron to proton ratio of the quasi-projectile emission is analysed for the same reactions and is seen to decrease below the ratio of the initial system. (authors)

  5. Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects

    International Nuclear Information System (INIS)

    Hazama, Hirofumi; Matsubara, Masato; Asahi, Ryoji; Takeuchi, Tsunehiro

    2011-01-01

    We have synthesized off-stoichiometric Ti-Ni-Sn half-Heusler thermoelectrics in order to investigate the relation between randomly distributed defects and thermoelectric properties. A small change in the composition of Ti-Ni-Sn causes a remarkable change in the thermal conductivity. An excess content of Ni realizes a low thermal conductivity of 2.93 W/mK at room temperature while keeping a high power factor. The low thermal conductivity originates in the defects generated by an excess content of Ni. To investigate the detailed defect structure, we have performed first-principles calculations and compared with x ray photoemission spectroscopy measurement. Based on these analyses, we conclude that the excess Ni atoms randomly occupy the vacant sites in the half-Heusler structure, which play as phonon scattering centers, resulting in significant improvement of the figure of merit without any substitutions of expensive heavy elements, such as Zr and Hf.

  6. Magnetoresistance of nanogranular Ni/NiO controlled by exchange anisotropy

    International Nuclear Information System (INIS)

    Del Bianco, L.; Spizzo, F.; Tamisari, M.; Allia, P.

    2013-01-01

    A link between exchange anisotropy and magnetoresistance has been found to occur in a Ni/NiO sample consisting of Ni nanocrystallites (mean size ∼13 nm, Ni content ∼33 vol%) dispersed in a NiO matrix. This material shows metallic-type electric conduction and isotropic spin-dependent magnetoresistance as well as exchange bias effect. The latter is the outcome of an exchange anisotropy arising from the contact interaction between the Ni phase and the NiO matrix. Combined analysis of magnetization M(H) and magnetoresistance MR(H) loops measured in the 5–250 K temperature range after zero-field-cooling (ZFC) and after field-cooling (FC) from 300 K reveals that the magnetoresistance is influenced by exchange anisotropy, which is triggered by the FC process and can be modified in strength by varying the temperature. Compared to the ZFC case, the exchange anisotropy produces a horizontal shift of the FC MR(H) loop along with a reduction of the MR response associated to the reorientation of the Ni moments. A strict connection between magnetoresistance and remanent magnetization of FC loops on one side and the exchange field on the other, ruled by exchange anisotropy, is indicated. - Highlights: • Nanogranular Ni/NiO with giant magnetoresistance (MR) and exchange bias effect. • Exchange anisotropy produces a shift of the field-cooled MR(H) loop and reduces MR. • MR, remanence of field-cooled loops and exchange field are three correlated quantities. • It is possible to control MR of nanogranular systems through the exchange anisotropy

  7. Ferromagnetic resonance study of sputtered NiFe/V/NiFe heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Alayo, W., E-mail: willian.rodriguez@ufpel.edu.br [Departamento de Física – IFM, Universidade Federal de Pelotas, 96010-900 Rio Grande do Sul (Brazil); Pelegrini, F. [Instituto de Física, Universidade Federal de Goiás, Goiânia, 74001-970 (Brazil); Baggio-Saitovitch, E. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro, RJ, 22290-180 (Brazil)

    2015-03-01

    The Ni{sub 81}Fe{sub 19}/V/Ni{sub 81}Fe{sub 19} heterostructures has been produced by magnetron sputtering and analyzed by ferromagnetic resonance. Two systems were investigated: the non symmetrical NiFe(50 Å)/V(t)/NiFe(30 Å) trilayers and the symmetrical NiFe(80 Å)/V(t)/NiFe(80 Å) trilayers, with variable ultrathin V thickness t. Ferromagnetic exchange coupling was evidenced for t below 10 Å by the excitation of the optic mode, in the case of the non symmetrical samples, and by the observation of a single resonance mode for the symmetrical trilayers. For larger V thickness, all samples exhibited two modes, which were attributed to the resonance of the individual NiFe layers with different effective magnetizations. The analysis with the equilibrium and resonance conditions provided the exchange coupling constants and effective magnetizations. - Highlights: • We present a study of symmetrical and non symmetrical NiFe/V/NiFe trilayers deposited on Si single crystals by ferromagnetic resonance (FMR) at room temperature. • For the non symmetrical trilayers, the FMR spectra show the optic and acoustic modes for samples with very thin V layer thicknesses, evidencing ferromagnetic exchange coupling, whereas, for larger V thickness, the spectra exhibited two well resolved modes associated to each independent NiFe layer. For the symmetrical trilayers, strong ferromagnetic exchange coupling is evidenced by the observation of a single resonance mode. • The analysis with the equilibrium condition and dispersion relation provides the exchange coupling constants and effective magnetizations.

  8. Hydrogen absorption kinetics and structural properties of Mg85Ni10Ca5 and Mg90Ni10

    International Nuclear Information System (INIS)

    Aoki, Masakazu; Saito, Katsushi; Towata, Shin-ichi

    2005-01-01

    Mg 85 Ni 10 Ca 5 and Mg 90 Ni 10 were prepared by melting mixtures of the elements in mild steel crucibles and pouring them into copper molds. Hydrogen absorption kinetics and structural properties of the alloys were characterized by the volumetric method using a Sievert's apparatus, X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The crystallite size of Mg in Mg 85 Ni 10 Ca 5 , which is evaluated by XRD peak broadening, is about 50% smaller than that in Mg 90 Ni 10 . In addition, the nanometer-scale structure composed of Mg, Mg 2 Ni, Mg 2 Ca was observed in Mg 85 Ni 10 Ca 5 . Mg 85 Ni 10 Ca 5 shows better hydrogen absorption kinetics than Mg 90 Ni 10 in the temperature range of room temperature to 573 K. The better absorption kinetics of Mg 85 Ni 10 Ca 5 is mainly attributed to the nanometer-scale structure

  9. Sputtering Yields of Si and Ni from the Ni1-xSix System Studied by Rutherford Backscattering Spectrometry

    Science.gov (United States)

    Kim, Su Chol; Yamaguchi, Satoru; Kataoka, Yoshihide; Iwami, Motohiro; Hiraki, Akio; Satou, Mamoru; Fujimoto, Fuminori

    1982-01-01

    Sputtering yields of Si and Ni from thin layer films of Ni-Si compounds (Ni1-xSix), including the pure materials (Ni and Si), caused by 5 keV Ar+ ion bombardment were investigated using backscattering spectrometry. The sputtering yield for Si from Ni1-xSix increased with increasing Si concentration. However, there is an abrupt decrease in the yield for Si concentrations above NiSi2 to pure Si. This is in clear contrast to the sputtering yield of Ni from Ni1-xSix which increased with increasing Ni concentration monotonously. These results are discussed on the basis of both the difference in the atomic density and the electronic state of the alloy.

  10. Phase Equilibria of the Sn-Ni-Si Ternary System and Interfacial Reactions in Sn-(Cu)/Ni-Si Couples

    Science.gov (United States)

    Fang, Gu; Chen, Chih-chi

    2015-07-01

    Interfacial reactions in Sn/Ni-4.5 wt.%Si and Sn-Cu/Ni-4.5 wt.%Si couples at 250°C, and Sn-Ni-Si ternary phase equilibria at 250°C were investigated in this study. Ni-Si alloys, which are nonmagnetic, can be regarded as a diffusion barrier layer material in flip chip packaging. Solder/Ni-4.5 wt.%Si interfacial reactions are crucial to the reliability of soldered joints. Phase equilibria information is essential for development of solder/Ni-Si materials. No ternary compound is present in the Sn-Ni-Si ternary system at 250°C. Extended solubility of Si in the phases Ni3Sn2 and Ni3Sn is 3.8 and 6.1 at.%, respectively. As more Si dissolves in these phases their lattice constants decrease. No noticeable ternary solubility is observed for the other intermetallics. Interfacial reactions in solder/Ni-4.5 wt.%Si are similar to those for solder/Ni. Si does not alter the reaction phases. No Si solubility in the reaction phases was detected, although rates of growth of the reaction phases were reduced. Because the alloy Ni-4.5 wt.%Si reacts more slowly with solders than pure Ni, the Ni-4.5 wt.%Si alloy could be a potential new diffusion barrier layer material for flip chip packaging.

  11. Ni/boride interfaces and environmental embrittlement in Ni-based superalloys: A first-principles study

    International Nuclear Information System (INIS)

    Sanyal, Suchismita; Waghmare, Umesh V.; Hanlon, Timothy; Hall, Ernest L.

    2011-01-01

    Highlights: ► Fracture strengths of Ni/boride interfaces through first-principles calculations. ► Fracture strengths of Ni/boride interfaces are higher than Ni/Ni 3 Al and NiΣ5 grain boundaries. ► Ni/boride interfaces have higher resistance to O-embrittlement than Ni/Ni 3 Al and NiΣ5 grain boundaries. ► CrMo-borides are more effective than Cr-borides in resisting O-embrittlement. ► Electronegativity differences between alloying elements correlate with fracture strengths. - Abstract: Motivated by the vital role played by boride precipitates in Ni-based superalloys in improving mechanical properties such as creep rupture strength, fatigue crack growth rates and improved resistance towards environmental embrittlement , we estimate fracture strength of Ni/boride interfaces through determination of their work of separation using first-principles simulations. We find that the fracture strength of Ni/boride interfaces is higher than that of other commonly occurring interfaces in Ni-alloys, such as Ni Σ-5 grain boundaries and coherent Ni/Ni 3 Al interfaces, and is less susceptible to oxygen-induced embrittlement. Our calculations show how the presence of Mo in Ni/M 5 B 3 (M = Cr, Mo) interfaces leads to additional reduction in oxygen-induced embrittlement. Through Electron-Localization-Function based analyses, we identify the electronic origins of effects of alloying elements on fracture strengths of these interfaces and observe that chemical interactions stemming from electronegativity differences between different atomic species are responsible for the trends in calculated strengths. Our findings should be useful towards designing Ni-based alloys with higher interfacial strengths and reduced oxygen-induced embrittlement.

  12. The acceleration intermediate phase (NiS and Ni3S2) evolution by nanocrystallization in Li/NiS2 thermal batteries with high specific capacity

    Science.gov (United States)

    Jin, Chuanyu; Zhou, Lingping; Fu, Licai; Zhu, Jiajun; Li, Deyi; Yang, Wulin

    2017-06-01

    The intermediate phase of NiS2 is thought to be a bottleneck currently to improve the overall performance of Li/NiS2 thermal batteries because of its low conductivity and close formation enthalpy between NiS2 and the intermediate phase (NiS, Ni3S2, etc). For improving the discharge performances of Li/NiS2 thermal batteries, the nano NiS2 with an average size of 85 ± 5 nm is designated as a cathode material. The electrochemical measurements show that the specific capacity of nano NiS2 cathode is higher than micro NiS2. The nano NiS2 cathode exhibits excellent electrochemical performances with high specific capacities of 794 and 654 mAh g-1 at current density of 0.1 and 0.5 A cm-2 under a cut-off voltage of 0.5 V, respectively. These results show that the rapid intermediate phase evolution from the nanocrystallization can obviously enhance use efficiency of NiS2 and improve discharge performances of thermal batteries.

  13. Room temperature isotherms for Mo and Ni

    International Nuclear Information System (INIS)

    Masse, J.L.

    1986-11-01

    Isotherms at room temperature for Mo and Ni are proposed. They are of three types: BIRCH, KEANE and BORN-MIE. The adjustable constants appearing in these isotherms have been determined from experimental quantities at zero pressure. An evaluation of the limit of (δB T /δP) T as P #-> # ∞, where B T is the isothermal bulk modulus, has been also used. These three isotherms obtained for Mo and Ni are compared with isotherms derived from shock-wave data according to the PRIETO's model. There is a good agreement between these and these derived from shock-wave data. The three isotherms proposed for Mo and Ni can be considered as valid until pressures of several B To , where B To is the bulk modulus B T at P = o [fr

  14. Advances in developing TiNi nanoparticles

    International Nuclear Information System (INIS)

    Castro, A. Torres; Cuellar, E. Lopez; Mendez, U. Ortiz; Yacaman, M. Jose

    2006-01-01

    The elaboration of nanoparticles has become a field of great interest for many scientists. Nanoparticles possess different properties than those ones shown in bulk materials. Shape memory alloys have the exceptional ability to recuperate its original shape by simple heating after being 'plastically' deformed. When this process is originated, important changes in properties, as mechanical and electrical, are developed in bulk material. If there is possible to obtain nanoparticles with shape memory effects, these nanoparticles could be used in the elaboration of nanofluids with the ability to change their electrical and thermal conductivity with temperature changes, i.e., smart nanofluids. In this work, some recent results and discussion of TiNi nanoparticles obtained by ion beam milling directly from a TiNi wire with shape memory are presented. The nanoparticles obtained by this process are about 2 nm of diameter with a composition of Ti-41.0 at.% Ni. Synthesized nanoparticles elaborated by this method have an ordered structure

  15. Cutting NiTi with Femtosecond Laser

    Directory of Open Access Journals (Sweden)

    L. Quintino

    2013-01-01

    Full Text Available Superelastic shape memory alloys are difficult to machine by thermal processes due to the facility for Ti oxidation and by mechanical processes due to their superelastic behavior. In this study, femtosecond lasers were tested to analyze the potential for machining NiTi since femtosecond lasers allow nonthermal processing of materials by ablation. The effect of processing parameters on machining depth was studied, and material removal rates were computed. Surfaces produced were analyzed under SEM which shows a resolidified thin layer with minimal heat affected zones. However, for high cutting speeds, that is, for short interaction times, this layer was not observed. A depletion of Ni was seen which may be beneficial in biomedical applications since Ni is known to produce human tissue reactions in biophysical environments.

  16. La niña proletaria

    Directory of Open Access Journals (Sweden)

    Cartabia, Sabrina A.

    2011-12-01

    Full Text Available El presente trabajo se propone trazar un paralelo entre el cuento de Osvaldo Lamborghini “El niño proletario”, el cual, según la autora del ensayo, introduce al lector en la lucha de clases y el sometimiento de los/as proletarios/as, que sufren las mujeres, en particular a través de la violencia sexual. De esa forma la autora se pregunta si el poder que ciertas clases detentan sobre otras no influye también sobre el sometimiento de la mujer. El ensayo analiza además cómo la violencia sexual es una herramienta que constituye la base de la desigualdad, el sometimiento y la degradación de la mujer, al igual que constituye una herramienta de opresión de otros grupos vulnerables como los niños y niñas.

  17. Effects of phase transformation and interdiffusion on the exchange bias of NiFe/NiMn

    International Nuclear Information System (INIS)

    Lai, Chih-Huang; Lien, W. C.; Chen, F. R.; Kai, J. J.; Mao, S.

    2001-01-01

    The correlation between the exchange field of NiFe/NiMn and the phase transformation of NiMn was investigated. Transmission electron microscopy (TEM) dark-field images, contributed by the order phase of NiMn, were used to identify the location and volume fraction of the order phase. TEM selected area diffraction patterns showed the (110) superlattice diffraction rings of NiMn, verifying the existence of the order phase in the annealed samples. The order volume fraction can be calculated by the dark field image contributed by the (110) diffraction. The exchange field increased almost linearly with increasing order volume fraction. Energy dispersive x-ray spectroscopy attached to TEM indicated that Mn diffused into NiFe for annealing at 280 degreeC, leading to a larger coercivity and small coercivity squareness. Part of the NiMn still maintains the paramagnetic phase even after annealing at 280 degreeC. [copyright] 2001 American Institute of Physics

  18. Ni3Si2 nanowires grown in situ on Ni foam for high-performance supercapacitors

    Science.gov (United States)

    Jiang, Yizhe; Li, Zhihui; Li, Beibei; Zhang, Jinying; Niu, Chunming

    2016-07-01

    Ni3Si2 nanowires and nanoawls have grown in situ on the surface of Ni foams by a controlled low pressure chemical vapor deposition process. Structural characterization shows that the individual Ni3Si2 nanowire is single crystal covered with a thin layer (1-2 nm) of SiO2 with a diameter of ∼20-30 nm and length of ten's micrometers. Individual nanoawl with a circular cone shape is polycrystalline. Both Ni3Si2 nanowire and nanoawl samples are evaluated as potential electrode materials for supercapacitors. The nanowire electrode delivers a very high specific capacitance and excellent rate capability. A specific capacitance of 760 F g-1 is measured at current density of 0.5 A g-1, which decreases to 518 F g-1 when the current density increases to 10 A g-1. The capacitance is dominated by pseudocapacitance with a mechanism similar to that of NiO or Ni(OH)2 widely studied in the literature. An asymmetric supercapacitor fabricated by pairing Ni3Si2 nanowire electrode with an activated carbon electrode exhibits energy densities of 17.5 Wh kg-1 and 8.8 Wh kg-1 at power densites of 301 W kg-1 and 3000 W kg-1.

  19. Exchange bias in finite sized NiO nanoparticles with Ni clusters

    Energy Technology Data Exchange (ETDEWEB)

    Gandhi, Ashish Chhaganlal; Lin, Jauyn Grace, E-mail: jglin@ntu.edu.tw

    2017-02-15

    Structural and magnetic properties of finite sized NiO nanoparticles are investigated with synchrotron X-ray diffraction (XRD), transmission electron microscopy, magnetometer and ferromagnetic resonance (FMR) spectroscopy. A minor Ni phase is detected with synchrotron XRD, attributed to the oxygen defects in the NiO core. A considerable exchange bias of ~100 Oe is observed at 50 K and it drops abruptly and vanishes above 150 K, in association with the reduction of frozen spins. FMR data indicate a strong interaction between ferromagnetic (FM) and antiferromagnetic (AFM) phases below 150 K, consistent with the picture of isolated FM clusters in AFM matrix. - Highlights: • Structural and magnetic properties of finite sized NiO nanoparticles are systematically investigated with several advanced techniques. • A strong interaction between ferromagnetic and antiferromagnetic phases is found below 150 K. • Exchange bias field in finite sized NiO nanoparticles is due to anisotropy energy of Ni clusters over riding the domain wall energy of NiO.

  20. Radiation damage buildup and dislocation evolution in Ni and equiatomic multicomponent Ni-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Levo, E. [Department of Physics, P.O. Box 43, FIN-00014, University of Helsinki (Finland); Granberg, F., E-mail: fredric.granberg@helsinki.fi [Department of Physics, P.O. Box 43, FIN-00014, University of Helsinki (Finland); Fridlund, C.; Nordlund, K. [Department of Physics, P.O. Box 43, FIN-00014, University of Helsinki (Finland); Djurabekova, F. [Department of Physics, P.O. Box 43, FIN-00014, University of Helsinki (Finland); Helsinki Institute of Physics, P.O. Box 43, FIN-00014, University of Helsinki (Finland)

    2017-07-15

    Single-phase multicomponent alloys of equal atomic concentrations (“equiatomic”) have proven to exhibit promising mechanical and corrosion resistance properties, that are sought after in materials intended for use in hazardous environments like next-generation nuclear reactors. In this article, we investigate the damage production and dislocation mobility by simulating irradiation of elemental Ni and the alloys NiCo, NiCoCr, NiCoFe and NiFe, to assess the effect of elemental composition. We compare the defect production and the evolution of dislocation networks in the simulation cells of two different sizes, for all five studied materials. We find that the trends in defect evolution are in good agreement between the different cell sizes. The damage is generally reduced with increased alloy complexity, and the dislocation evolution is specific to each material, depending on its complexity. We show that increasing complexity of the alloys does not always lead to decreased susceptibility to damage accumulation under irradiation. We show that, for instance, the NiCo alloy behaves very similarly to Ni, while presence of Fe or Cr in the alloy even as a third component reduces the saturated level of damage substantially. Moreover, we linked the defect evolution with the dislocation transformations in the alloys. Sudden drops in defect number and large defect fluctuations from the continuous irradiation can be explained from the dislocation activity.