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Sample records for edge absorption studies

  1. Attenuation studies near K-absorption edges using Compton ...

    Indian Academy of Sciences (India)

    The results are consistent with theoretical values derived from the XCOM package. Keywords. Photon interaction; 241Am; gamma ray attenuation; Compton scattering; absorption edge; rare earth elements. PACS Nos 32.80.-t; 32.90.+a. 1. Introduction. Photon interaction studies at energies around the absorption edge have ...

  2. Studies on absorption coefficient near edge of multi elements

    International Nuclear Information System (INIS)

    Eisa, M.H.; Shen, H.; Yao, H.Y.; Mi, Y.; Zhou, Z.Y.; Hu, T.D.; Xie, Y.N.

    2005-01-01

    X-ray absorption near edge structure (XANES) was used to study the near edge mass-absorption coefficients of seven elements, such as, Ti, V, Fe, Co, Ni, Cu and Zn. It is well known that, on the near edge absorption of element, when incident X-ray a few eV change can make the absorption coefficient an order magnitude alteration. So that, there are only a few points mass-absorption coefficient at the near edge absorption and that always average value in published table. Our results showed a wide range of data, the total measured data of mass-absorption coefficient of the seven elements was about 505. The investigation confirmed that XANES is useful technique for multi-element absorption coefficient measurement. Details of experimental methods and results are given and discussed. The experimental work has been performed at Beijing Synchrotron Radiation Facility. The measured values were compared with the published data. Good agreement between experimental results and published data is obtained

  3. Studies on absorption coefficient near edge of multi elements

    Science.gov (United States)

    Eisa, M. H.; Shen, H.; Yao, H. Y.; Mi, Y.; Zhou, Z. Y.; Hu, T. D.; Xie, Y. N.

    2005-12-01

    X-ray absorption near edge structure (XANES) was used to study the near edge mass-absorption coefficients of seven elements, such as, Ti, V, Fe, Co, Ni, Cu and Zn. It is well known that, on the near edge absorption of element, when incident X-ray a few eV change can make the absorption coefficient an order magnitude alteration. So that, there are only a few points mass-absorption coefficient at the near edge absorption and that always average value in published table. Our results showed a wide range of data, the total measured data of mass-absorption coefficient of the seven elements was about 505. The investigation confirmed that XANES is useful technique for multi-element absorption coefficient measurement. Details of experimental methods and results are given and discussed. The experimental work has been performed at Beijing Synchrotron Radiation Facility. The measured values were compared with the published data. Good agreement between experimental results and published data is obtained.

  4. X-ray absorption near-edge spectroscopic study of nickel catalysts

    International Nuclear Information System (INIS)

    Soldatov, Alexander V.; Smolentsev, Grigory; Kravtsova, Antonina; Yalovega, Galina; Feiters, Martin C.; Metselaar, Gerald A.; Joly, Yves

    2006-01-01

    Ni-isocyanide and Ni-acac complexes have been studied by X-ray absorption spectroscopy. Theoretical analysis has been done using self-consistent full multiple scattering (MS) approach within both muffin-tin (MT) model of the potential and non-MT finite deference method. For the isocyanide complex, it was shown that MS theoretical spectra reproduce all structural details of the X-ray absorption near-edge structure (XANES), but also that it is important to consider the non-MT effects in the potential for a correct simulation of the shape of the pre-edge structures. The contribution of a non-constant potential in the interstitial regions is extremely important for the interpretation of the XANES of Ni(acac) 2

  5. Determination of the separation between the soft X-ray K-emission and K-absorption edges in beryllium metal from self-absorption studies

    International Nuclear Information System (INIS)

    Crisp, R.S.

    1979-01-01

    Recent theoretical studies have aroused interest in the phonon broadening of the soft X-ray emission and absorption edges and the shift between them. Using a self-absorption technique a separation of about 0.2 eV is shown to exist between the edges in Be metal. This shift explains the very small self-absorption effects previously observed in Be by Crisp (1977). (Auth.)

  6. Determination of the separation between the soft X-ray K-emission and K-absorption edges in beryllium metal from self-absorption studies

    International Nuclear Information System (INIS)

    Crisp, R.S.

    1979-01-01

    Recent theoretical studies have aroused interest in the phonon broadening of the soft X-ray emission and absorption edges and the shift between them. Using a self-absorption technique a separation of about 0.2 eV is shown to exist between the edges in Be metal. This shift explains the very small self-absorption effects previously observed in Be. (Auth.)

  7. Two-photon spectroscopy study of edge absorption peculiarities in oxygen-octahedric ferroelectrics

    International Nuclear Information System (INIS)

    Shablaev, S.I.; Danishevskij, A.M.; Subashiev, V.K.

    1984-01-01

    Two-photon absorption (TPA) spectra of ferroelectric crystals with BaTiO 3 , KTaO 3 and SrTiO 3 perovskite strUcture Were obtained. The detailed investigation of temperature dependence of edge spectrum regions was conducted and on the basis of their analysis the indirect character of edge absorption was concluded for all mentioned crystals. TPA spectra of BaTiO 3 and KTaO 3 are characterized by the regions corresponding to one indirect edge TPA spectra of SrTiO 3 - to two indirect edges. The corresponding inter-zone gaps were determined for all investigated crystals, the energy of phonons, participating in indirect two photon transitions, inter-zone gaps, corresponding to direct transitions were determined as well

  8. X-ray absorption near edge structure (XANES) study of some hydroxamic mixed ligand copper complexes

    International Nuclear Information System (INIS)

    Mishra, A; Parsai, N; Shrivastava, B D; Soni, N

    2012-01-01

    With the advent of modern bright synchrotron radiation sources, X-ray absorption spectra has emerged as a powerful technique for local structure determination, which can be applied to any type of material. The X-ray absorption measurements of four hydroxamic mixed ligand copper complexes have been performed at the recently developed BL-8 Dispersive EXAFS beamline at 2.5 GeV Indus-2 synchrotron at RRCAT, Indore, India. The X-ray absorption near edge structure (XANES) data obtained has been processed using data analysis program Athena. The energies of the K absorption edge, chemical shifts, edge-widths, shifts of the principal absorption maximum in the complexes have been determined. The values of the chemical shift suggest that copper is in oxidation state +2 in all of the complexes. The chemical shift data has been utilized to estimate effective nuclear charge on copper atom. The order of the chemical shifts has been correlated to the relative ionic character of the bonding in these complexes.

  9. A high resolution x-ray fluorescence spectrometer for near edge absorption studies

    International Nuclear Information System (INIS)

    Stojanoff, V.; Hamalainen, K.; Siddons, D.P.; Hastings, J.B.; Berman, L.E.; Cramer, S.; Smith, G.

    1991-01-01

    A high resolution fluorescence spectrometer using a Johann geometry in a back scattering arrangement was developed. The spectrometer, with a resolution of 0.3 eV at 6.5 keV, combined with an incident beam, with a resolution of 0.7 eV, form the basis of a high resolution instrument for measuring x-ray absorption spectra. The advantages of the instrument are illustrated with the near edge absorption spectrum of dysprosium nitrate. 10 refs., 4 figs

  10. Study of X-ray L2 absorption edges of Gd, Dy, Ho and Er in metals and compounds

    International Nuclear Information System (INIS)

    Agarwal, B.K.; Agarwal, B.R.K.

    1978-01-01

    The positions and shapes of L2 X-ray absorption edges of Gd, Dy, Ho and Er have been studied in metals and in oxides and chlorides, using a forty centimetre bent mica crystal spectrograph. It has been found that the L2 edge shifts towards the high energy side in the compounds and that the chemical shift ΔE depends on the degree of covalency involved. The white line structure at the edge has been analysed in terms of transitions of L2 shell electron to optical nd (n >= 5) states. (author)

  11. Absorption-Edge-Modulated Transmission Spectra for Water Contaminant Monitoring

    Science.gov (United States)

    2016-03-31

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9675 Absorption- Edge -Modulated Transmission Spectra for Water Contaminant...ABSTRACT c. THIS PAGE 18. NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Absorption- Edge -Modulated Transmission Spectra for Water Contaminant Monitoring...contaminants, within a volume of sampled solution, requires sufficient sensitivity. The present study examines the sensitivity of absorption- edge

  12. Study of non-validity of mixture rule near K-absorption edges by X-ray spectrometric technique

    International Nuclear Information System (INIS)

    Sharanabasappa; Chitralekha, A.; Kerur, B.R.; Anilkumar, S.

    2012-01-01

    X-ray spectrometric technique has been described to determine the X-ray mass attenuation coefficient, μ/ρ, of X-rays employing HPGe X-ray detector and radioactive sources. The photon intensity is measured by gating the channel of the spectrometer at FWHM/photo peak. Using the technique the 'best value' values of μ/ρ were obtained for those thicknesses which lie in the transmission (T) range 0.5 ≥ T ≥ 0.02. Total attenuation cross sections for other elements and lead compounds were measured at photon energies from 17 to 88 keV to study the Bragg's additivity law near the absorption edge of the lead. The measured values of mass attenuation coefficient values are compared with theoretical values obtained using Winxcom (programme). This study suggests that measured mass attenuation coefficient values at and near absorption edges differ from the theoretical value by about 17-23%. (author)

  13. Attenuation studies near K-absorption edges using Compton scattered 241Am gamma rays

    International Nuclear Information System (INIS)

    Abdullah, K.K.; Ramachandran, N.; Karunakaran Nair, K.; Babu, B.R.S.; Joseph, Antony; Thomas, Rajive; Varier, K.M.

    2008-01-01

    We have carried out photon attenuation measurements at several energies in the range from 49.38 keV to 57.96 keV around the K-absorption edges of the rare earth elements Sm, Eu, Gd, Tb, Dy and Er using 59.54 keV gamma rays from 241 Am source after Compton scattering from an aluminium target. Pellets of oxides of the rare earth elements were chosen as mixture absorbers in these investigations. A narrow beam good geometry set-up was used for the attenuation measurements. The scattered gamma rays were detected by an HPGe detector. The results are consistent with theoretical values derived from the XCOM package. (author)

  14. 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.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  17. Infrared study of the absorption edge of β-InN films grown on GaN/MgO structures

    Science.gov (United States)

    Pérez-Caro, M.; Rodríguez, A. G.; Vidal, M. A.; Navarro-Contreras, H.

    2010-07-01

    Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that β-InN films have large free-carrier concentrations present (>1019 cm-3), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observed temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in β-InN, analogous to wurtzite InN, follows a nonparabolic behavior.

  18. Infrared study of the absorption edge of β-InN films grown on GaN/MgO structures

    International Nuclear Information System (INIS)

    Perez-Caro, M.; Rodriguez, A. G.; Vidal, M. A.; Navarro-Contreras, H.

    2010-01-01

    Infrared optical studies were carried out in a group of cubic InN samples grown by gas source molecular beam epitaxy on MgO (001) substrates. Room temperature (RT) reflectance and low-temperature (LT) transmittance measurements were performed by using fast Fourier transform infrared spectrometry. Reflectance fittings allowed to establish that β-InN films have large free-carrier concentrations present (>10 19 cm -3 ), a result that is corroborated by Hall effect measurements. Each sample explored exhibited a different optical absorption edge. The Varshni parameters that describe adequately the optical absorption edge responses with temperature are obtained for the set of samples studied. The observed temperatures changes, from LT to RT, are the lowest reported for III-V semiconductor binary compounds. The temperature coefficient of the conduction band depends on the strength of the electron-phonon interaction (e-ph-i), as well as on the thermal expansion. It has been predicted that cubic InN has one of the smallest e-ph-i of all III-V compounds, which is corroborated by these results. The variation in values of absorption edges is clearly consistent with the Burstein-Moss and band renormalization effects, produced by high free electron concentrations. It is shown that the conduction band in β-InN, analogous to wurtzite InN, follows a nonparabolic behavior.

  19. Genesis of Co/SiO2 catalysts : XAS study at the cobalt L-III,L- II absorption edges

    NARCIS (Netherlands)

    Bazin, D.; Kovacs, I.; Guczi, L.; Parent, P.; Laffon, C.; De Groot, F.; Ducreux, O.; Lynch, J.

    2000-01-01

    Silica-supported cobalt catalysts have been investigated by soft X-ray absorption techniques. Soft X-ray absorption spectra were collected at the Co LII,III edge during in situ reduction of calcined samples in a stream of hydrogen in the temperature range between 300 and 650°C. Using reference

  20. Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

    International Nuclear Information System (INIS)

    Kawerk, Elie; Carniato, Stéphane; Iwayama, Hiroshi; Shigemasa, Eiji; Piancastelli, Maria Novella; Wassaf, Joseph; Khoury, Antonio; Simon, Marc

    2013-01-01

    Highlights: ► We measured the X-ray absorption spectrum of C 2 H 3 Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited electronic states are evaluated. ► Sharp or narrow spectral bands are associated to bound or dissociative surfaces. -- Abstract: We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C 2 H 3 Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account

  1. Experimental and theoretical study of X-ray absorption around the chlorine L edge in vinyl chloride

    Energy Technology Data Exchange (ETDEWEB)

    Kawerk, Elie, E-mail: elie.kawerk@etu.upmc.fr [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Université Libanaise, Faculté des Sciences II Fanar, Laboratoire de Physique Appliquée, 90656 Jdeidet el Metn (Lebanon); Carniato, Stéphane [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Iwayama, Hiroshi; Shigemasa, Eiji [Ultraviolet Synchrotron Orbital Radiation Facility, Institute for Molecular Science, Okazaki 444-8585 (Japan); Piancastelli, Maria Novella [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Wassaf, Joseph; Khoury, Antonio [Université Libanaise, Faculté des Sciences II Fanar, Laboratoire de Physique Appliquée, 90656 Jdeidet el Metn (Lebanon); Simon, Marc [Université Pierre et Marie Curie, Laboratoire de Chimie Physique-Matière et Rayonnement, UMR 7614, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France)

    2013-02-15

    Highlights: ► We measured the X-ray absorption spectrum of C{sub 2}H{sub 3}Cl around the chlorine L edge. ► Ab-initio calculations of the spectrum shed light on eventual electronic resonances. ► Vibrational substructures for particular core excited states are considered. ► The potential energy surfaces of the core excited electronic states are evaluated. ► Sharp or narrow spectral bands are associated to bound or dissociative surfaces. -- Abstract: We present a combined experimental and theoretical study of the high-resolution chlorine L edge X-ray absorption spectrum in gas-phase vinyl chloride (C{sub 2}H{sub 3}Cl). With the help of ab-initio calculations, we interpret the experimental spectrum and attribute each band to its corresponding electronic transitions terminating at states characterized by an either binding or dissociative potential energy surface (PES). Vibrational substructures in some specific core-excited electronic states are taken into account.

  2. Study on Coloration Mechanism of Chinese Ancient Ceramics by X-ray Absorption Near-edge Structure

    Science.gov (United States)

    Peng, Y. H.; Xie, Z.; He, J. F.; Liu, Q. H.; Pan, Z. Y.; Cheng, W. R.; Wei, S. Q.

    2013-04-01

    The Fe K-edge X-ray absorption near-edge structure (XANES) spectra of a series of ceramic shards were measured by fluorescence mode to reveal the color-generating techniques of Chinese porcelain. The analysis disclosed relationships among the chemical form of the iron, the firing conditions and the colors of the ceramics. The results indicate that the coloration for different ceramics depend on the valence states of iron as the main color element in glaze and the proportion of Fe2+ and Fe3+ was attributed to the baking technology. The findings provide important information for archaeologist on the coloration researches.

  3. [Chlorine speciation and concentration in cultivated soil in the northeastern China studied by X-ray absorption near edge structure].

    Science.gov (United States)

    Li, Jing; Lang, Chun-Yan; Ma, Ling-Ling; Xu, Dian-Dou; Zheng, Lei; Lu, Yu-Nanz; Cui Li-Rui; Zhang, Xiao-Meng

    2014-10-01

    A procedure has been proposed to determine chlorine speciation and concentration in soil with X-ray absorption near edge structure (XANES), and this method was applied to study the cultivated soil (bog, dark brown and black cultivated soil) in the Northeastern China. Qualitative analysis was carried out by least-squares fitting of sample spectra with standard spectra of three model compounds (NaCl, 3-chloropropionic acid, chlorophenol red). Linear correlation between the absolute fluorescence intensity of a series of NaCl standards and the Cl concentration was used as quantification standard for measuring the total Cl concentration in samples. The detection limits,relative standard deviation (RSD), recoveries were 2 mg · kg(-1), 0%-5% and 77%-133%, respectively. The average concentration of total Cl was 19 mg · kg(-1). The average relative content was as high as 61% of organochlorine with the concentration of 1-2 times as high as the concentration of inorganic chloride. The distribution trend of the total Cl, inorganic chloride and organic chlorine in different types of soil was: bog arable soil > dark brown soil > black soil. In conclusion, XANES is a reliable method to nondestructively characterize the speciation and concentration of chlorine in soil, which would provide some basic data for the future study of the chlorine's biogeochemical transformations.

  4. Study of the L2,3 edges of 3d transition metals by X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Akguel, G.; Aksoy, F.; Bozduman, A.; Ozkendir, O.M.; Ufuktepe, Y.; Luening, J.

    2008-01-01

    In the soft X-rays energy region, near edge X-ray absorption fine structure (NEXAFS) spectra are generally recorded by monitoring yield signals of secondary particles. These secondary particles, electrons or fluorescence photons, follow from the decay of the core hole excited in the primary absorption process. In general the yield signals are, to a good approximation, proportional to the absorption coefficient. However, in several applications it would be desirable to measure the absorption coefficient quantitatively. To derive the absorption coefficient quantitatively from a yield spectrum, one needs to know the escape depth of the emitted electrons (λ e ) of the applied yield technique in the material of interest. Since this quantity is difficult to calculate, it is unknown for most materials. In this paper we present the first results of our systematic investigation of the total electron-yield (TEY) escape depth of the 3d transition metals (Fe, Co and Cu). In addition our results gave important information on the variation of the TEY escape depth with the filling of the 3d band

  5. Study of the L2,3 Edges of 3d Transition Metals By X-Ray Absorption Spectroscopy

    International Nuclear Information System (INIS)

    Akgul, G.; Aksoy, F.; Bozduman, A.; Ozkendir, O.M.; Ufuktepe, Y.; Luning, J.

    2008-01-01

    In the soft X-rays energy region, near edge X-ray absorption fine structure (NEXAFS) spectra are generally recorded by monitoring yield signals of secondary particles. These secondary particles, electrons or fluorescence photons, follow from the decay of the core hole excited in the primary absorption process. In general the yield signals are, to a good approximation, proportional to the absorption coefficient. However, in several applications it would be desirable to measure the absorption coefficient quantitatively. To derive the absorption coefficient quantitatively from a yield spectrum, one needs to know the escape depth of the emitted electrons (λ e ) of the applied yield technique in the material of interest. Since this quantity is difficult to calculate, it is unknown for most materials. In this paper we present the first results of our systematic investigation of the total electron-yield (TEY) escape depth of the 3d transition metals (Fe, Co and Cu). In addition our results gave important information on the variation of the TEY escape depth with the filling of the 3d band.

  6. Absorption studies

    International Nuclear Information System (INIS)

    Ganatra, R.D.

    1992-01-01

    Absorption studies were once quite popular but hardly anyone does them these days. It is easier to estimate the blood level of the nutrient directly by radioimmunoassay (RIA). However, the information obtained by estimating the blood levels of the nutrients is not the same that can be obtained from the absorption studies. Absorption studies are primarily done to find out whether some of the essential nutrients are absorbed from the gut or not and if they are absorbed, to determine how much is being absorbed. In the advanced countries, these tests were mostly done to detect pernicious anaemia where vitamin B 12 is not absorbed because of the lack of the intrinsic factor in the stomach. In the tropical countries, ''malabsorption syndrome'' is quire common. In this condition, several nutrients like fat, folic acid and vitamin B 12 are not absorbed. It is possible to study absorption of these nutrients by radioisotopic absorption studies

  7. Temperature dependent evolution of the local electronic structure of atmospheric plasma treated carbon nanotubes: Near edge x-ray absorption fine structure study

    International Nuclear Information System (INIS)

    Roy, S. S.; Papakonstantinou, P.; Okpalugo, T. I. T.; Murphy, H.

    2006-01-01

    Near edge x-ray absorption fine structure (NEXAFS) spectroscopy has been employed to obtain the temperature dependent evolution of the electronic structure of acid treated carbon nanotubes, which were further modified by dielectric barrier discharge plasma processing in an ammonia atmosphere. The NEXAFS studies were performed from room temperature up to 900 deg. C. The presence of oxygen and nitrogen containing functional groups was observed in C K edge, N K edge, and O K edge NEXAFS spectra of the multiwalled carbon nanotubes. The N K edge spectra revealed three types of π* features, the source of which was decisively identified by their temperature dependent evolution. It was established that these features are attributed to pyridinelike, NO, and graphitelike structures, respectively. The O K edge indicated that both carbonyl (C=O), π*(CO), and ether C-O-C, σ*(CO), functionalities were present. Upon heating in a vacuum to 900 deg. C the π*(CO) resonances disappeared while the σ*(CO) resonances were still present confirming their higher thermal stability. Heating did not produce a significant change in the π* feature of the C K edge spectrum indicating that the tabular structure of the nanotubes is essentially preserved following the thermal decomposition of the functional groups on the nanotube surface

  8. Electrosynthesis of ZnO nanorods and nanotowers: Morphology and X-ray Absorption Near Edge Spectroscopy studies

    Science.gov (United States)

    Sigircik, Gokmen; Erken, Ozge; Tuken, Tunc; Gumus, Cebrail; Ozkendir, Osman M.; Ufuktepe, Yuksel

    2015-06-01

    Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. The resulting opto-electronic properties were interpreted extensively, using X-ray diffraction (XRD), X-ray Absorption Near Edge Spectroscopy (XANES), field emission scanning electron microscopy (FE-SEM), UV-Visible spectroscopy and four probe techniques. The ZnO deposition is mass transport controlled process and the interaction of chloride ions with the surface has great influence on diffusion kinetics, considering the substantial species (Zn2+ and OH-) involved in the construction of ZnO film. This effect does not change major lattice parameters, as shown with detailed analysis of XRD data. However, the texture coefficient (Tc) (0 0 2) value is higher in presence of chloride ions containing synthesis solution which gave vertically aligned, well defined and uniformly dispersed nanorods structure. The calculated Eg values are in the range 3.28-3.41 eV and 3.22-3.31 eV for ZnO nanorods and nanotowers synthesized at different deposition periods, respectively. Furthermore, the charge mobility values regarding the deposition periods were measured to be in the ranges from 130.4 to 449.2 cm2 V-1 s-1 and 126.2 to 204.7 cm2 V-1 s-1 for nanorods and nanotowers, respectively. From XANES results, it was shown that the Zn K-edge spectrum is dominated by the transition of Zn 1s core electrons into the unoccupied Zn 4p states of the conduction band. Comparing the rod and tower nano-structured ZnO thin films, the excitation behavior of valence band electrons is different. Moreover, the density states of Zn 4p are higher for ZnO nanorods.

  9. Phase transition in LiVO2 studied by near-edge x-ray-absorption spectroscopy

    NARCIS (Netherlands)

    Pen, HF; Tjeng, LH; Pellegrin, E; deGroot, FMF; Sawatzky, GA; vanVeenendaal, MA; Chen, CT

    1997-01-01

    We present temperature-dependent V-2p and O-1s x-ray-absorption spectra of LiVO2. The aim of this study is to monitor changes in electronic structure on going through the phase transition. The spectral changes turn out to be very small: the V-3d-O-2p hybridization does not change considerably, and

  10. Hopping absorption edge in silicon inversion layers

    International Nuclear Information System (INIS)

    Kostadinov, I.Z.

    1983-09-01

    The low frequency gap observed in the absorption spectrum of silicon inversion layers is related to the AC variable range hopping. The frequency dependence of the absorption coefficient is calculated. (author)

  11. Electrosynthesis of ZnO nanorods and nanotowers: Morphology and X-ray Absorption Near Edge Spectroscopy studies

    Energy Technology Data Exchange (ETDEWEB)

    Sigircik, Gokmen, E-mail: gsigircik@cu.edu.tr [Chemistry Department, University of Cukurova, 01330 Adana (Turkey); Erken, Ozge [Department of Physics, Faculty Science and Letters, Adiyaman University, 02040 Adiyaman (Turkey); Tuken, Tunc [Chemistry Department, University of Cukurova, 01330 Adana (Turkey); Gumus, Cebrail [Physics Department, University of Cukurova, 01330 Adana (Turkey); Ozkendir, Osman M. [Department of Energy Systems Engineering Tarsus Technology Faculty, Mersin University, 33400 Tarsus (Turkey); Ufuktepe, Yuksel [Physics Department, University of Cukurova, 01330 Adana (Turkey)

    2015-06-15

    Highlights: • Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. • Uniform and well-defined ZnO nano-towers and rods have been obtained via electrochemical deposition. • The presence of chloride ions altered the nucleation rate of ZnO particles on ITO substrates and resulting crystallographic properties. • Comparing the rod and tower nano-structured ZnO thin films, the excitation behavior of valance band electrons is different. - Abstract: Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. The resulting opto-electronic properties were interpreted extensively, using X-ray diffraction (XRD), X-ray Absorption Near Edge Spectroscopy (XANES), field emission scanning electron microscopy (FE-SEM), UV-Visible spectroscopy and four probe techniques. The ZnO deposition is mass transport controlled process and the interaction of chloride ions with the surface has great influence on diffusion kinetics, considering the substantial species (Zn{sup 2+} and OH{sup −}) involved in the construction of ZnO film. This effect does not change major lattice parameters, as shown with detailed analysis of XRD data. However, the texture coefficient (T{sub c}) (0 0 2) value is higher in presence of chloride ions containing synthesis solution which gave vertically aligned, well defined and uniformly dispersed nanorods structure. The calculated E{sub g} values are in the range 3.28–3.41 eV and 3.22–3.31 eV for ZnO nanorods and nanotowers synthesized at different deposition periods, respectively. Furthermore, the charge mobility values regarding the deposition periods were measured to be in the ranges from 130.4 to 449.2 cm{sup 2} V{sup −1} s{sup −1} and 126.2 to 204.7 cm{sup 2} V{sup −1} s{sup −1} for nanorods and nanotowers, respectively. From XANES results, it was shown that the Zn K-edge

  12. Electrosynthesis of ZnO nanorods and nanotowers: Morphology and X-ray Absorption Near Edge Spectroscopy studies

    International Nuclear Information System (INIS)

    Sigircik, Gokmen; Erken, Ozge; Tuken, Tunc; Gumus, Cebrail; Ozkendir, Osman M.; Ufuktepe, Yuksel

    2015-01-01

    Highlights: • Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. • Uniform and well-defined ZnO nano-towers and rods have been obtained via electrochemical deposition. • The presence of chloride ions altered the nucleation rate of ZnO particles on ITO substrates and resulting crystallographic properties. • Comparing the rod and tower nano-structured ZnO thin films, the excitation behavior of valance band electrons is different. - Abstract: Deposition mechanism of nano-structured ZnO films has been investigated in the absence and presence of chloride ions from aqueous solution. The resulting opto-electronic properties were interpreted extensively, using X-ray diffraction (XRD), X-ray Absorption Near Edge Spectroscopy (XANES), field emission scanning electron microscopy (FE-SEM), UV-Visible spectroscopy and four probe techniques. The ZnO deposition is mass transport controlled process and the interaction of chloride ions with the surface has great influence on diffusion kinetics, considering the substantial species (Zn 2+ and OH − ) involved in the construction of ZnO film. This effect does not change major lattice parameters, as shown with detailed analysis of XRD data. However, the texture coefficient (T c ) (0 0 2) value is higher in presence of chloride ions containing synthesis solution which gave vertically aligned, well defined and uniformly dispersed nanorods structure. The calculated E g values are in the range 3.28–3.41 eV and 3.22–3.31 eV for ZnO nanorods and nanotowers synthesized at different deposition periods, respectively. Furthermore, the charge mobility values regarding the deposition periods were measured to be in the ranges from 130.4 to 449.2 cm 2 V −1 s −1 and 126.2 to 204.7 cm 2 V −1 s −1 for nanorods and nanotowers, respectively. From XANES results, it was shown that the Zn K-edge spectrum is dominated by the transition of Zn 1s core

  13. Mn L2,3-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li2MnO3

    International Nuclear Information System (INIS)

    Kubobuchi, Kei; Mogi, Masato; Imai, Hideto; Ikeno, Hidekazu; Tanaka, Isao; Mizoguchi, Teruyasu

    2014-01-01

    The redox reaction of Mn in Li 2 MnO 3 was studied by X-ray absorption spectroscopy and ab initio multiplet calculation. Associated with the de-intercalation of Li-ion, small but clear spectral changes were observed in Mn-L 2,3 X-ray absorption near edge structure (XANES). The systematic ab initio multiplet calculations of Mn-L 2,3 XANES revealed that the spectral changes in the experiment could not simply be ascribed to the change of the valency from Mn 4+ to Mn 5+ but can be explained well by the changes of local atomic structures around Mn 4+ due to the Li de-intercalation. Our results suggest that the electronic state of oxygen should change during charging in Li 2 MnO 3

  14. X-ray diffraction and X-ray K absorption near edge studies of copper (II) complexes with amino acids

    Science.gov (United States)

    Sharma, P. K.; Mishra, Ashutosh; Malviya, Varsha; Kame, Rashmi; Malviya, P. K.

    2017-05-01

    Synthesis of copper (II) complexes [CuL1L2X].nH2O, where n=1, 2,3 (X=Cl,Br,NO3) (L1is 2,2’-bipyridine and L2 is L-tyrosine) by the chemical root method. The XRD data for the samples have been recorded. EXAFS spectra have also been recorded at the K-edge of Cu using the dispersive beam line BL-8 at 2.5 Gev Indus-2 Synchrotron radiation source at RRCAT, Indore, India. XRD and EXAFS data have been analysed using the computer software. X-ray diffraction studies of all complexes indicate their crystalline nature. Lattice parameter, bond length, particle size have been determined from XRD data.

  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. Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

    Energy Technology Data Exchange (ETDEWEB)

    Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com [Department of Physics, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur 440033 (India); Yadav, A. K. [Atomic and molecular Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2016-04-04

    This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It is a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.

  17. Lattice positions of Sn in Cu2ZnSnS4 nanoparticles and thin films studied by synchrotron X-ray absorption near edge structure analysis

    Science.gov (United States)

    Zillner, E.; Paul, A.; Jutimoosik, J.; Chandarak, S.; Monnor, T.; Rujirawat, S.; Yimnirun, R.; Lin, X. Z.; Ennaoui, A.; Dittrich, Th.; Lux-Steiner, M.

    2013-06-01

    Lattice positions of Sn in kesterite Cu2ZnSnS4 and Cu2SnS3 nanoparticles and thin films were investigated by XANES (x-ray absorption near edge structure) analysis at the S K-edge. XANES spectra were analyzed by comparison with simulations taking into account anti-site defects and vacancies. Annealing of Cu2ZnSnS4 nanoparticle thin films led to a decrease of Sn at its native and defect sites. The results show that XANES analysis at the S K-edge is a sensitive tool for the investigation of defect sites, being critical in kesterite thin film solar cells.

  18. Fundamental absorption edge of NiO nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Sokolov, V.I., E-mail: visokolov@imp.uran.ru [Institute of Metal Physics, Ural Branch of RAS, S. Kovalevskaya Street 18, 620990 Yekaterinburg (Russian Federation); Druzhinin, A.V. [Institute of Metal Physics, Ural Branch of RAS, S. Kovalevskaya Street 18, 620990 Yekaterinburg (Russian Federation); Kim, G.A. [Institute of Organic Synthesis Ural Branch of RAS, S. Kovalevskaya Street 20, 620990 Yekaterinburg (Russian Federation); Gruzdev, N.B.; Yermakov, A.Ye.; Uimin, M.A.; Byzov, I.V.; Shchegoleva, N.N.; Vykhodets, V.B.; Kurennykh, T.E. [Institute of Metal Physics, Ural Branch of RAS, S. Kovalevskaya Street 18, 620990 Yekaterinburg (Russian Federation)

    2013-12-01

    NiO nanocrystals with the average size of 5, 10 and 25 nm were synthesized by gas-condensation method. The well-defined increase of the optical density D near the fundamental absorption edge of NiO nanocrystals in the range of 3.5–4.0 eV observed after the annealing in air is caused by the oxygen content growth. It is the direct experimental evidence of the fact that p—d charge transfer transitions form the fundamental absorption edge.

  19. Fundamental absorption edge of NiO nanocrystals

    International Nuclear Information System (INIS)

    Sokolov, V.I.; Druzhinin, A.V.; Kim, G.A.; Gruzdev, N.B.; Yermakov, A.Ye.; Uimin, M.A.; Byzov, I.V.; Shchegoleva, N.N.; Vykhodets, V.B.; Kurennykh, T.E.

    2013-01-01

    NiO nanocrystals with the average size of 5, 10 and 25 nm were synthesized by gas-condensation method. The well-defined increase of the optical density D near the fundamental absorption edge of NiO nanocrystals in the range of 3.5–4.0 eV observed after the annealing in air is caused by the oxygen content growth. It is the direct experimental evidence of the fact that p—d charge transfer transitions form the fundamental absorption edge

  20. An X-ray absorption near-edge structure (XANES) study of the Sn L_3 edge in zirconium alloy oxide films formed during autoclave corrosion

    International Nuclear Information System (INIS)

    Hulme, Helen; Baxter, Felicity; Babu, R. Prasath; Denecke, Melissa A.; Gass, Mhairi; Steuwer, Axel; Norén, Katarina; Carlson, Stefan; Preuss, Michael

    2016-01-01

    Highlights: • Characterisation of tin speciation in zirconium alloy metal and oxide films using Sn L_3-XANES. • Chemical environment of tin in Zircaloy-4 and ZIRLO™ oxide films shown to be similar. • Tin in the oxide films is present in both the di- and tetravalent states and oxidises progressively with oxide-layer growth. - Abstract: Application of Sn L_3-XANES to study the oxidation state of alloying additions of tin (1–1.2 wt%) in <2 μm oxide layers formed on nuclear grade zirconium alloy has been demonstrated. Data obtained for metallic and corroded ZIRLO™ (1 wt% Sn) and Zircaloy-4 (1.2 wt% Sn) indicate tin has a similar chemical speciation in both metal alloys but this differs in the oxidised surface layers. By recording XANES at various incident angles to vary the photon penetration depth and amount of the oxide layer probed in the measurement, the authors found evidence that the oxidation of tin progresses with increasing oxide thickness.

  1. 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

  2. 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.)

  3. Fundamental absorption edge of CdP2 single crystals

    International Nuclear Information System (INIS)

    Bondar', G.I.; Koval', V.S.; Kurik, M.V.

    1986-01-01

    Fundamental absorption edge of tetragonal CdP 2 crystals is investigated within the temperature range of 4.2-293 K. The crystals are grown by the Bridgman methods and resublimation methods and possess different degree of perfection and purity. In perfect CdP 2 crystals with small concentration of impurities in the region of K > 20 cm -1 the shape of the absorption edge spectrum is described by the Urbach rule. The Urbach rule parameters are defined. The electron-phonon interaction is shown to be the determinant at K > 20 cm -1 and the direct vertical transition is observed. A slight additional absorption with maximum at 2.163 eV within the range of K -1 and at T ≤ 50 is associated with transition from shallow acceptor level to the conduction zone. The impurity leads to the shift of the fundamental absorption edge to the long-wavelength side and diffusion of electrons on impurities is resulted

  4. Near-edge X-ray absorption fine structure studies of Cr{sub 1−x}M{sub x}N coatings

    Energy Technology Data Exchange (ETDEWEB)

    Mahbubur Rahman, M. [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); Duan, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Jiang, Zhong-Tao, E-mail: Z.Jiang@murdoch.edu.au [School of Engineering and Information Technology, Murdoch University, Murdoch, WA 6150 (Australia); Xie, Zonghan [School of Mechanical Engineering, University of Adelaide, SA 5005 (Australia); School of Engineering, Edith Cowan University, WA 6027 (Australia); Wu, Alex [School of Chemistry, The University of Melbourne, Parkville, VIC 3010 (Australia); Amri, Amun [Department of Chemical Engineering, Riau University, Pekanbaru (Indonesia); Cowie, Bruce [Australian Synchrotron, 800 Blackburn Rd., Clayton, VIC 3168 (Australia); Yin, Chun-Yang [Chemical and Analytical Sciences, Murdoch University, Murdoch, WA 6150 (Australia)

    2013-11-25

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

  5. On the enzymatic activity of catalase : an iron L-edge X-ray absorption study of the active centre

    NARCIS (Netherlands)

    Bergmann, Nora; Bonhommeau, Sebastien; Lange, Kathrin M.; Greil, Stefanie M.; Eisebitt, Stefan; de Groot, Frank; Chergui, Majed; Aziz, Emad F.

    2010-01-01

    Catalase and methaemoglobin have very similar haem groups, which are both ferric, yet catalase decomposes hydrogen peroxide to water and oxygen very efficiently, while methaemoglobin does not. Structural studies have attributed this behaviour to their different distal environments. Here we present

  6. The aquatic hyphomycete Heliscus lugdunensis protects its hyphae tip cells from cadmium: A micro X-ray fluorescence and X-ray absorption near edge structure spectroscopy study

    Science.gov (United States)

    Isaure, Marie-Pierre; Leyh, Benjamin; Salomé, Murielle; Krauss, Gerd-Joachim; Schaumlöffel, Dirk; Dobritzsch, Dirk

    2017-11-01

    Aquatic fungi can be used to evaluate the functioning of natural ecosystems. Heliscus lugdunensis is an early colonizer of allochthone leafs. Since this aquatic hyphomycete is able to develop in metal contaminated habitats and tolerates cadmium, it appears to be a good candidate to investigate adaptation to metal pollution. This study aimed at examining the sequestration of Cd in the hyphae of H. lugdunensis, and particularly the role of the tip cells. For that, H. lugdunensis growth was evaluated under various Cd concentrations, and a combination of synchrotron micro X-ray fluorescence and X-ray absorption near edge structure spectroscopy was carried out to determine the compartments of Cd accumulation and the Cd chemical species, respectively. Results showed that the hyphal tip cells were depleted in Cd, and that the metal was stored in older cells. Cd was mainly associated with sulfur ligands and to a lesser extent bound to phosphates and carboxyl/hydroxyl groups from cell wall and/or organic acids. Finally, the aquatic fungus was able to maintain the tip cell as a functional system, thus allowing the colonization of contaminated environments.

  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. Nuclear safeguards applications of energy-dispersive absorption edge densitometry

    International Nuclear Information System (INIS)

    Russo, P.A.; Hsue, S.T.; Langner, D.G.; Sprinkle, J.K. Jr.

    1980-01-01

    The principles and techniques of absorption edge densitometry in the energy-dispersive mode are summarized as they apply to the nondestructive assay of special nuclear materials. Five existing field instruments, designed for special nuclear materials accounting measurements, are described. Results of the testing of these instruments as well as recent laboratory results are used to define the capabilities of the technique for special nuclear materials accounting. Possibilities for future applications are reviewed. 14 figures

  9. The P K-near edge absorption spectra of phosphates

    Science.gov (United States)

    Franke, R.; Hormes, J.

    1995-12-01

    The X-ray absorption near edge structure (XANES) at the P K-edge in several orthophosphates with various cations, in condensed, and in substituted sodium phosphates have been measured using synchrotron radiation from the ELSA storage ring at the University of Bonn. The measured spectra demonstrate that chemical changes beyond the PO 4- tetrahedra are reflected by energy shifts of the pre-edge and continuum resonances, by the presence of characteristic shoulders and new peaks and by differences in the intensity of the white line. We discuss the energy differences between the white line positions and the corresponding P ls binding energies as a measure of half of the energy gap. The corresponding values correlate with the valence of the cations and the intensity of the white lines. The energy positions of the continuum resonances are discussed on the basis of an empirical bond-length correlation supporting a 1/ r2 - dependence.

  10. The interaction of copper ions with Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli: an X-ray absorption near-edge structure (XANES) spectroscopy study.

    Science.gov (United States)

    Zanzen, Ulrike; Bovenkamp-Langlois, Lisa; Klysubun, Wantana; Hormes, Josef; Prange, Alexander

    2018-04-01

    The antimicrobial properties of copper ions have been known for a long time. However, the exact mechanism of action of the transition metal on microorganisms has long been unclear. X-ray absorption near-edge structure (XANES) spectroscopy at the Cu K edge allows the determination of copper speciation in Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa that have been treated with Cu(II) and Cu(I) solutions. The death/inactivation of the bacteria was observed using plate counting and light microscopy. The Cu K-XANES spectra of the two Gram-negative bacteria are different than those of the Gram-positive strain. The results clearly show that the Cu + -S bond contributes to the antibacterial activity of copper, as in the case of silver. The detailed evaluation of the differentiated absorption spectra shows that Cu + (not Cu 2+ ) is the dominant ion that binds to the bacteria. Because Cu + is not the most common copper ion, copper is not as effective an antibacterial agent as silver, whose common valency is actually + 1. Any reaction of copper with phosphorus from the bacteria can be excluded after the evaluation of the absorption spectra.

  11. X-ray absorption near edge structure study on Acutolysin-C, a zinc-metalloproteinase from Agkistrodon acutus venom: Insight into the acid-inactive mechanism

    International Nuclear Information System (INIS)

    Zhao Wei; Chu Wangsheng; Li Shujun; Liu Yiwei; Gao Bin; Niu Liwen; Teng Maikun; Benfatto, Maurizio; Hu Tiandou; Wu Ziyu

    2007-01-01

    Acutolysin-C, a snake-venom zinc metalloproteinase, displays a distinct pH-dependent proteolytic activity, which has been tentatively assigned to a structural change of the zinc-containing catalytic center. In this work we compare X-ray absorption near-edge structure (XANES) experimental spectra at the Zn K-edge and theoretical calculations of solutions at different pH values. The experimental data show clear differences confirmed by a best fit using the MXAN procedure. The results show that, when pH decreases from pH 8.0 to pH 3.0, the zinc-coordinating catalytic water molecule moves far from the Glu143 residue that is considered to play an essential role in the proteolytic process. Data suggests that this is the possible mechanism that deactivates the metalloproteinase

  12. Fundamental optical absorption edge in MnGa2Te4 single crystals

    International Nuclear Information System (INIS)

    Medvedkin, G.A.; Rud, Yu.V.; Tairov, M.A.

    1988-01-01

    A study is made of the optical properties of oriented MnGa 2 Te 4 crystals in the region of the fundamental absorption edge. The energy gap width for the temperatures 77, 300, and 370 K is determined to be E G = 1.635, 1.52, and 1.50 eV. The spectral response α(ℎω/2π) is found to follow Urbach's rule thoughout the temperature range studied, the slope of the absorption edge remaining constant (α = 10 2 cm -1 ). Crystal annealing with subsequent rapid cooling results in a shift of the absorption edge longward by 25 meV with the exponential form of α(ℎω/2π) prevailing over the range T = 77 to 370 K. An analysis shows the optical absorption in the region of the fundamental edge to be a sum of the effects coming from the density-of-states tails, local scattering centers associated with a high vacancy concentration, and electron-phonon interaction. Optical linear dichroism of the absorption edge of MnGa 2 Te 4 single crystals with pseudotetragonal structure is revealed and studied. The single crystals are established to be optically uniaxial, their optical transmission dichroism being negative. It is shown that the minimal direct optical transitions in MnGa 2 Te 4 are allowed in the E parallel c polarization in the temperature range 77 to 370 K, the crystal-field splitting of the valence band increasing with temperature. (author)

  13. X-Ray Absorption Near-Edge Structure (XANES) of Calcium L3,2 Edges of Various Calcium Compounds and X-Ray Excited Optical Luminescence (XEOL) Studies of Luminescent Calcium Compounds

    International Nuclear Information System (INIS)

    Ko, J. Y. Peter; Zhou Xingtai; Sham, T.-K.; Heigl, Franziskus; Regier, Tom; Blyth, Robert

    2007-01-01

    X-ray absorption at calcium L3,2 edges of various calcium compounds were measured using a high resolution Spherical Grating Monochromator (SGM) at the Canadian Light Source (CLS). We observe that each compound has its unique fine structure of L3,2 edges. This uniqueness is due to differences in local structure of compounds. We also performed (X-ray Excited Optical Luminescence) XEOL of selected luminescent calcium compounds to investigate their optical properties. XEOL is a photon-in-photon-out technique in which the optical luminescence that is excited by tunable x-rays from a synchrotron light source is monitored. Depending on excitation energy of the x-ray, relative intensities of luminescence peaks vary. Recent findings of the results will be presented here

  14. 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 (0.06edges. 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.)

  15. Resonance absorption of ICRF wave in edge plasma

    International Nuclear Information System (INIS)

    Sugihara, Ryo; Yamanaka, Kaoru.

    1987-07-01

    An edge plasma is shown to significantly absorb ICRF wave when a resonant triplet, a cutoff-resonance-cutoff triplet, is constructed in the evanescent region. Two-ion-component plasmas in a torus are considered though the plasmas are modeled by a slab in which the density changes linearly along the x-axis. The resonance is a perpendicular-ion-cyclotron resonance, i.e., an Alfven resonance, and is formed when the applied frequency ω is smaller than the local cyclotron frequency, at the edge of the antenna side, of the lighter species of ions. Roughly the absorption rate A b is given by M 2 for M 2 >> S 2 and S 4 for S 2 >> M 2 where M = k y l and S ≅ k z l and l is a scale length of the order of the plasma minor radius and k y and k z are the perpendicular and the parallel components of the wave vector. It is noted that the both quantities, M and S, readily become of the order of unity. Since A b is not very sensitive to the density ratio of the two ion species, a few percent of impurities may cause a significant absorption. As the mass ratio of the two ion species comes close to unity the triplet forms readily. Therefore a D-T plasma seems to suffer more easily this kind of resonance absorption than a D-H plasma. (author)

  16. X-ray speckle contrast variation at a sample-specific absorption edges

    International Nuclear Information System (INIS)

    Retsch, C. C.; Wang, Y.; Frigo, S. P.; Stephenson, G. B.; McNulty, I.

    2000-01-01

    The authors measured static x-ray speckle contrast variation with the incident photon energy across sample-specific absorption edges. They propose that the variation depends strongly on the spectral response function of the monochromator. Speckle techniques have been introduced to the x-ray regime during recent years. Most of these experiments, however, were done at photon energies above 5 keV. They are working on this technique in the 1 to 4 keV range, an energy range that includes many important x-ray absorption edges, e.g., in Al, Si, P, S, the rare-earths, and others. To their knowledge, the effect of absorption edges on speckle contrast has not yet been studied. In this paper, they present their initial measurements and understanding of the observed phenomena

  17. Nonlinear refraction at the absorption edge in InAs.

    Science.gov (United States)

    Poole, C D; Garmire, E

    1984-08-01

    The results of measurements of nonlinear refraction at the absorption edge in InAs between 68 and 90 K taken with an HF laser are compared with those of a band-gap resonant model in which the contribution of the light-hole band is included and found to account for more than 40% of the observed nonlinear refraction. A generalized expression for the nonlinear index is derived by using the complete Fermi-Dirac distribution function. Good agreement between theory and experiment is obtained, with no free parameters.

  18. Measurement of the effective atomic numbers of compounds with cerium near to the absorption edge

    International Nuclear Information System (INIS)

    Polat, Recep; Icelli, Orhan

    2010-01-01

    In order to measure atomic, molecular and electronic cross-section; the effective atomic number, density of electron and absorption jump factor, we have first measured μ t values of compounds which are determined by mixture rule using transmission method. In order to measure experimentally the effective atomic number within absorption jump factors of compounds with Ce, the X-ray source used Am-241 whose gamma rays were stopped at secondary source (Sm), thus producing Kα and Kβ X-ray emission. The most crucial finding in this study is that measurement of the effective atomic number is not appropriate near to the absorption edge and the effective atomic number is affected by near to the absorption edge. The results obtained have been compared with theoretical values.

  19. Multi-edge X-ray absorption spectroscopy study of road dust samples from a traffic area of Venice using stoichiometric and environmental references

    Science.gov (United States)

    Valotto, Gabrio; Cattaruzza, Elti; Bardelli, Fabrizio

    2017-02-01

    The appropriate selection of representative pure compounds to be used as reference is a crucial step for successful analysis of X-ray absorption near edge spectroscopy (XANES) data, and it is often not a trivial task. This is particularly true when complex environmental matrices are investigated, being their elemental speciation a priori unknown. In this paper, an investigation on the speciation of Cu, Zn, and Sb based on the use of conventional (stoichiometric compounds) and non-conventional (environmental samples or relevant certified materials) references is explored. This method can be useful in when the effectiveness of XANES analysis is limited because of the difficulty in obtaining a set of references sufficiently representative of the investigated samples. Road dust samples collected along the bridge connecting Venice to the mainland were used to show the potentialities and the limits of this approach.

  20. Simulation and evaluation of the absorption edge subtraction technique in energy-resolved X-ray radiography applied to the cultural heritage studies

    International Nuclear Information System (INIS)

    Leyva Pernia, Diana; Cabal Rodriguez, Ana E.; Pinnera Hernandez, Ibrahin; Leyva Fabelo, Antonio; Abreu Alfonso, Yamiel; Espen, Piet Van

    2011-01-01

    In this work the mathematical simulation of photon transport in the matter was used to evaluate the potentials of a new energy-resolved X-ray radiography system. The system is intended for investigations of cultural heritage object, mainly painting. The radiographic system uses polychromatic radiation from an X-ray tube and measures the spectrum transmitted through the object with an energy-dispersive X-ray detector on a pixel-by-pixel basis. Manipulation of the data-set obtained allows constructing images with enhanced contrast for certain elements. Here the use of the absorption edge subtraction technique was emphasized. The simulated results were in good agreement with the experimental data.(author)

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

    Science.gov (United States)

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

    2014-01-01

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

  2. Ge L{sub 3}-edge x-ray absorption near-edge structure study of structural changes accompanying conductivity drift in the amorphous phase of Ge{sub 2}Sb{sub 2}Te{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Mitrofanov, K. V. [Nanoelectronics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562 (Japan); Kolobov, A. V., E-mail: a.kolobov@aist.go.jp; Fons, P. [Nanoelectronics Research Institute and Green Nanoelectronics Center, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562, Japan and Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1, Kouto, Sayo, Hyogo 679-5198 (Japan); Wang, X.; Tominaga, J. [Nanoelectronics Research Institute and Green Nanoelectronics Center, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba 305-8562 (Japan); Tamenori, Y.; Uruga, T. [Synchrotron Radiation Research Institute (JASRI), SPring-8, 1-1-1, Kouto, Sayo, Hyogo 679-5198 (Japan); Ciocchini, N.; Ielmini, D. [DEIB - Politecnico di Milano, Piazza L. Da Vinci 32, 20133 Milano (Italy)

    2014-05-07

    A gradual uncontrollable increase in the resistivity of the amorphous phase of phase-change alloys, such as Ge{sub 2}Sb{sub 2}Te{sub 5}, known as drift, is a serious technological issue for application of phase-change memory. While it has been proposed that drift is related to structural relaxation, no direct structural results have been reported so far. Here, we report the results of Ge L{sub 3}-edge x-ray absorption measurements that suggest that the drift in electrical conductivity is associated with the gradual conversion of tetrahedrally coordinated Ge sites into pyramidal sites, while the system still remains in the amorphous phase. Based on electronic configuration arguments, we propose that during this process, which is governed by the existence of lone-pair electrons, the concentration of free carriers in the system decreases resulting in an increase in resistance despite the structural relaxation towards the crystalline phase.

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

    International Nuclear Information System (INIS)

    Moisy-Maurice, Virginie.

    1980-09-01

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

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. ICRF edge modeling studies

    Energy Technology Data Exchange (ETDEWEB)

    Lehrman, I.S. (Grumman Corp. Research Center, Princeton, NJ (USA)); Colestock, P.L. (Princeton Univ., NJ (USA). Plasma Physics Lab.)

    1990-04-01

    Theoretical models have been developed, and are currently being refined, to explain the edge plasma-antenna interaction that occurs during ICRF heating. The periodic structure of a Faraday shielded antenna is found to result in strong ponderomotive force in the vicinity of the antenna. A fluid model, which incorporates the ponderomotive force, shows an increase in transport to the Faraday shield. A kinetic model shows that the strong antenna near fields act to increase the energy of deuterons which strike the shield, thereby increasing the sputtering of shield material. Estimates of edge impurity harmonic heating show no significant heating for either in or out-of-phase antenna operation. Additionally, a particle model for electrons near the shield shows that heating results from the parallel electric field associated with the fast wave. A quasilinear model for edge electron heating is presented and compared to the particle calculations. The models' predictions are shown to be consistent with measurements of enhanced transport. (orig.).

  9. The origin of luminescence from di[4-(4-diphenylaminophenyl)phenyl]sulfone (DAPSF), a blue light emitter: an X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) study.

    Science.gov (United States)

    Zhang, Duo; Zhang, Hui; Zhang, Xiaohong; Sham, Tsun-Kong; Hu, Yongfeng; Sun, Xuhui

    2016-03-07

    The electronic structure and optical properties of di[4-(4-diphenylaminophenyl)phenyl]sulfone (denoted as DAPSF), a highly efficient fluorophor, have been investigated using X-ray excited optical luminescence (XEOL) and X-ray absorption near edge structure (XANES) spectroscopy at excitation energies across the C, N, O K-edges and the sulfur K-edge. The results indicate that the blue luminescence is mainly related to the sulfur functional group.

  10. Mn L{sub 2,3}-edge X-ray absorption spectroscopic studies on charge-discharge mechanism of Li{sub 2}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Kubobuchi, Kei, E-mail: kubobuchi@nissan-arc.co.jp [NISSAN ARC Ltd., 1 Natsushima, Yokosuka 237-0061 (Japan); Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505, Japan. (Japan); Mogi, Masato; Imai, Hideto [NISSAN ARC Ltd., 1 Natsushima, Yokosuka 237-0061 (Japan); Ikeno, Hidekazu [Osaka Prefecture University, 1-2 Gakuen-cho, Naka-ku, Sakai, Osaka 599-8570 (Japan); Tanaka, Isao [Department of Materials Science and Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501 (Japan); 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. (Japan)

    2014-02-03

    The redox reaction of Mn in Li{sub 2}MnO{sub 3} was studied by X-ray absorption spectroscopy and ab initio multiplet calculation. Associated with the de-intercalation of Li-ion, small but clear spectral changes were observed in Mn-L{sub 2,3} X-ray absorption near edge structure (XANES). The systematic ab initio multiplet calculations of Mn-L{sub 2,3} XANES revealed that the spectral changes in the experiment could not simply be ascribed to the change of the valency from Mn{sup 4+} to Mn{sup 5+} but can be explained well by the changes of local atomic structures around Mn{sup 4+} due to the Li de-intercalation. Our results suggest that the electronic state of oxygen should change during charging in Li{sub 2}MnO{sub 3}.

  11. Identifying anthropogenic uranium compounds using soft X-ray near-edge absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Jesse D.; Bowden, Mark; Tom Resch, C.; Eiden, Gregory C.; Pemmaraju, C. D.; Prendergast, David; Duffin, Andrew M.

    2017-01-01

    Uranium ores mined for industrial use are typically acid-leached to produce yellowcake and then converted into uranium halides for enrichment and purification. These anthropogenic chemical forms of uranium are distinct from their mineral counterparts. The purpose of this study is to use soft X-ray absorption spectroscopy to characterize several common anthropogenic uranium compounds important to the nuclear fuel cycle. Non-destructive chemical analyses of these compounds is important for process and environmental monitoring and X-ray absorption techniques have several advantages in this regard, including element-specificity, chemical sensitivity, and high spectral resolution. Oxygen K-edge spectra were collected for uranyl nitrate, uranyl fluoride, and uranyl chloride, and fluorine K-edge spectra were collected for uranyl fluoride and uranium tetrafluoride. Interpretation of the data is aided by comparisons to calculated spectra. These compounds have unique spectral signatures that can be used to identify unknown samples.

  12. Study of oxidation states of the transition metals in a series of Prussian blue analogs using x-ray absorption near edge structure (XANES) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Adak, S. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States); Hartl, M., E-mail: monika.hartl@esss.se [European Spallation Source ESS AB, 22100, Lund (Sweden); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Daemen, L. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN, 37830 (United States); Manuel Lujan Jr. Neutron Scattering Center (LANSCE-LC), Los Alamos National Laboratory, Los Alamos, NM, 87545 (United States); Fohtung, E.; Nakotte, H. [Department of Physics, New Mexico State University, Las Cruces, NM, 88003 (United States)

    2017-01-15

    Highlights: • Systematic XANES measurements on Prussian blue analogs shows oxidation state of transition metals. • Cobal-iron bimetallic hexacyanometallates show unexpected oxidation states. • Iron(II) ions in hexacyanometallates(III) show varying spin state depending on their bond to the “N” end or “C” end of the cyanide ligand. • Thermal expansion coefficients have been linked to the XANES results. - Abstract: There have been renewed interests in metal-organic framework classes of materials such as Prussian blue analogues (PBAs) due to their potential usage in energy storage applications. In particular, due to their high surface areas, controllable structures and excellent electrochemical properties, PBAs such as hexacyanometalates M{sup II}{sub 3}[A{sup III}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Fe, Co, Ni, Cu, Zn; A = Co, Fe, Cr; n = no. of water molecules present), M{sup II}{sub 2}[Fe{sup II}(CN){sub 6}]{sub 2*}nH{sub 2}O (M = Mn, Co, Ni, Cu, Zn) and mixed hexacyanometalates(III) (Fe{sub 1-x}Co{sub x}){sub 3}[B{sup III}(CN){sub 6}]{sub 2}·nH{sub 2}O (x = 0.25, 0.5, 0.75; B = Co, Fe) could have possible usage as a new class of cathode and even anode materials for rechargeable batteries. Detailed knowledge of the oxidation states of the transition metals in PBAs is required to improve efficiency and durability of such devices. Furthermore, a link between the thermal expansion observed in these materials and the oxidation state of the transition metal is of interest to synthesize materials with a desired thermal expansion behavior, Here we demonstrate the use of Synchrotron based X-ray absorption near-edge structure (XANES) spectra to identify transition metal oxidation states. Our analysis reveals the presence of divalent, trivalent and/or mixed valence transition metals in the materials as well as high-spin and low-spin complexes.

  13. Quasar Absorption Studies

    Science.gov (United States)

    Mushotzky, Richard (Technical Monitor); Elvis, Martin

    2004-01-01

    The aim of the proposal is to investigate the absorption properties of a sample of inter-mediate redshift quasars. The main goals of the project are: Measure the redshift and the column density of the X-ray absorbers; test the correlation between absorption and redshift suggested by ROSAT and ASCA data; constrain the absorber ionization status and metallicity; constrain the absorber dust content and composition through the comparison between the amount of X-ray absorption and optical dust extinction. Unanticipated low energy cut-offs where discovered in ROSAT spectra of quasars and confirmed by ASCA, BeppoSAX and Chandra. In most cases it was not possible to constrain adequately the redshift of the absorber from the X-ray data alone. Two possibilities remain open: a) absorption at the quasar redshift; and b) intervening absorption. The evidences in favour of intrinsic absorption are all indirect. Sensitive XMM observations can discriminate between these different scenarios. If the absorption is at the quasar redshift we can study whether the quasar environment evolves with the Cosmic time.

  14. Structural study of glasses in the binary system NaPO{sub 3}-MoO{sub 3} by X-ray absorption spectroscopy at the Mo K and L{sub 3} edges

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, Gael, E-mail: gael@unifal-mg.edu.br [Department of Science and Technology, UNIFAL-MG, Rua Corumba 72, CEP 37701-100, Pocos de Caldas, MG (Brazil); Cassanjes, Fabia C. [Department of Science and Technology, UNIFAL-MG, Rua Corumba 72, CEP 37701-100, Pocos de Caldas, MG (Brazil)

    2010-04-15

    Glasses were prepared in the binary system (100 - x)NaPO{sub 3}-xMoO{sub 3} with x varying from 0 to 50 mol%. An increase in the MoO{sub 3} concentration promotes a strong absorption in the visible and near infrared attributed to Mo reduction during glass synthesis. X-ray absorption measurements were performed at the Mo K and L{sub 3} edges to investigate both the coordination number and oxidation state of Mo in these glasses. The evolution of the pre-peak observed at the K edge suggests that Mo atoms are six-fold coordinated in these glasses. This hypothesis was confirmed by data obtained at the Mo-L{sub 3}-absorption edge. Since the final electronic states at the L{sub 3}-absorption edge are mostly orbitals of d-character which are splitted by the ligand field, the amplitude of the d-orbital splitting could be estimated and the related coordination number of Mo obtained. Finally, the oxidation state of Mo could be related with a change of the white line intensity at the Mo-L{sub 3} edge. These results confirm that the optical absorption in the visible is due to Mo reduction and that transparent samples prepared by slow cooling contain less reduced Mo species.

  15. Theoretical and experimental study of high-magnetic-field XMCD spectra at the L2,3 absorption edges of mixed-valence rare-earth compounds

    International Nuclear Information System (INIS)

    Kotani, Akio; Matsuda, Yasuhiro H; Nojiri, Hiroyuki

    2009-01-01

    X-ray magnetic circular dichroism(XMCD) spectra at the L 2,3 edges of mixed-valence rare-earth compounds in high magnetic fields are studied both theoretically and experimentally. The theoretical study is based on a new framework proposed recently by Kotani. The Zeeman splitting of 4f states, the mixed-valence character of 4f states, and the 4f-5d exchange interaction are incorporated into a single impurity Anderson model. New XMCD experiments in high magnetic fields up to 40 T are carried out for the mixed-valence compounds EuNi 2 (Si 0.18 Ge 0.82 ) 2 and YbInCu 4 by using a miniature pulsed magnet, which was developed recently by Matsuda et al. The XMCD data are taken at 5 K by transmission measurements for incident X-rays with ± helicities at BL39XU in SPring-8. After giving a survey on recent developments in the theory of XMCD spectra for mixed-valence Ce and Yb compounds, we calculate the XMCD spectra of YbInCu 4 at the field-induced valence transition around 32 T by applying the recent theoretical framework and by newly introducing at 32 T a discontinuous change in the Yb 4f level and that in the hybridization strength between the Yb 4f and conduction electrons. The calculated results are compared with the experimental ones.

  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. 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

  18. Enhancement of broadband optical absorption in photovoltaic devices by band-edge effect of photonic crystals.

    Science.gov (United States)

    Tanaka, Yoshinori; Kawamoto, Yosuke; Fujita, Masayuki; Noda, Susumu

    2013-08-26

    We numerically investigate broadband optical absorption enhancement in thin, 400-nm thick microcrystalline silicon (µc-Si) photovoltaic devices by photonic crystals (PCs). We realize absorption enhancement by coupling the light from the free space to the large area resonant modes at the photonic band-edge induced by the photonic crystals. We show that multiple photonic band-edge modes can be produced by higher order modes in the vertical direction of the Si photovoltaic layer, which can enhance the absorption on multiple wavelengths. Moreover, we reveal that the photonic superlattice structure can produce more photonic band-edge modes that lead to further optical absorption. The absorption average in wavelengths of 500-1000 nm weighted to the solar spectrum (AM 1.5) increases almost twice: from 33% without photonic crystal to 58% with a 4 × 4 period superlattice photonic crystal; our result outperforms the Lambertian textured structure.

  19. Femtosecond Near Edge X-ray Absorption Measurement of the VO2 Phase Transition

    International Nuclear Information System (INIS)

    Cavalleri, A.; Chong, H.H.W.; Fourmaux, S.; Glover, T.E.; Heimann, P.A; Kieffer, J.C.; Padmore, H.A.; Schoenlein, R.W.

    2004-01-01

    The authors measure the insulator-to-metal transition in VO 2 using femtosecond Near-Edge X-ray Absorption. Sliced pulses of synchrotron radiation are used to detect the photo-induced dynamics at the 516-eV Vanadium L 3 edge

  20. The 1s x-ray absorption pre-edge structures in transition metal oxides

    NARCIS (Netherlands)

    de Groot, Frank|info:eu-repo/dai/nl/08747610X; Vanko, Gyoergy; Glatzel, Pieter

    2009-01-01

    We develop a general procedure to analyse the pre-edges in 1s x-ray absorption near edge structure (XANES) of transition metal oxides and coordination complexes. Transition metal coordination complexes can be described from a local model with one metal ion. The 1s 3d quadrupole transitions are

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-09-21

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

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  3. 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)

  4. A new term 'Jzeff' derived from measured total attenuation coefficients of photons near the absorption edges of some compounds

    International Nuclear Information System (INIS)

    Polat, Recep; Icelli, Orhan

    2010-01-01

    In order to determine the effect of XAFS (X-ray absorption fine structure) on J zeff , we have measured μ/ρ values of compounds, which are determined by the mixture rule or the independent atomic model. Also, we want to obtain both XAFS effect and non-applicability or applicability of mixture rule. The most crucial finding in this study is that measurement of the effective atomic number is not appropriate near the absorption edge and the effective atomic number is affected by near the absorption edge. The results obtained have been compared with theoretical values. Also, the objective of this study is to show that there is a term 'J zeff ' between effective atomic numbers and absorption jump factor.

  5. Mass attenuation coefficient of chromium and manganese compounds around absorption edge.

    Science.gov (United States)

    Sharanabasappa; Kaginelli, S B; Kerur, B R; Anilkumar, S; Hanumaiah, B

    2009-01-01

    The total mass attenuation coefficient for Potassium dichromate, Potassium chromate and Manganese acetate compounds are measured at different photon energies 5.895, 6.404, 6.490, 7.058, 8.041 and 14.390 keV using Fe-55, Co-57 and 241Am source with Copper target, radioactive sources. The photon intensity is analyzed using a high resolution HPGe detector system coupled to MCA under good geometrical arrangement. The obtained values of mass attenuation coefficient values are compared with theoretical values. This study suggests that measured mass attenuation coefficient values at and near absorption edges differ from the theoretical value by about 5-28%.

  6. Measurement of mass attenuation coefficients around the K absorption edge by parametric X-rays

    International Nuclear Information System (INIS)

    Tamura, Masaya; Akimoto, Tadashi; Aoki, Yohei; Ikeda, Jiro; Sato, Koichi; Fujita, Fumiyuki; Homma, Akira; Sawamura, Teruko; Narita, Masakuni

    2002-01-01

    When electrons at relativistic velocities pass through a crystal plate, such as silicon, photons are emitted around the Bragg angle for X-ray diffraction. This phenomenon is called parametric X-ray radiation (PXR). The monochromaticity and directivity of PXR are adequate and the energy can be changed continuously by rotating the crystal. This study measured the mass attenuation coefficient around the K-shell absorption edge of Nb, Zr and Mo as a PXR application of monochromatic hard X-ray radiation sources

  7. Measurement of mass attenuation coefficients around the K absorption edge by parametric X-rays

    CERN Document Server

    Tamura, M; Aoki, Y; Ikeda, J; Sato, K; Fujita, F; Homma, A; Sawamura, T; Narita, M

    2002-01-01

    When electrons at relativistic velocities pass through a crystal plate, such as silicon, photons are emitted around the Bragg angle for X-ray diffraction. This phenomenon is called parametric X-ray radiation (PXR). The monochromaticity and directivity of PXR are adequate and the energy can be changed continuously by rotating the crystal. This study measured the mass attenuation coefficient around the K-shell absorption edge of Nb, Zr and Mo as a PXR application of monochromatic hard X-ray radiation sources.

  8. Iron absorption studies

    International Nuclear Information System (INIS)

    Ekenved, G.

    1976-01-01

    The main objective of the present work was to study iron absorption from different iron preparations in different types of subjects and under varying therapeutic conditions. The studies were performed with different radioiron isotope techniques and with a serum iron technique. The preparations used were solutions of ferrous sulphate and rapidly-disintegrating tablets containing ferrous sulphate, ferrous fumarate and ferrous carbonate and a slow-release ferrous sulphate tablet of an insoluble matrix type (Duroferon Durules). The serum iron method was evaluated and good correlation was found between the serum iron response and the total amount of iron absorbed after an oral dose of iron given in solution or in tablet form. New technique for studying the in-vivo release properties of tablets was presented. Iron tablets labelled with a radio-isotope were given to healthy subjects. The decline of the radioactivity in the tablets was followed by a profile scanning technique applied to different types of iron tablets. The release of iron from the two types of tablets was shown to be slower in vivo than in vitro. It was found that co-administration of antacids and iron tablets led to a marked reduction in the iron absorption and that these drugs should not be administered sumultaneously. A standardized meal markedly decreased the absorbability of iron from iron tablets. The influence of the meal was more marked with rapidly-disintegrating than with slow-release ferrous sulphate tablets. The absorption from rapidly-disintegrating and slow-release ferrous sulphate tablets was compared under practical clinical conditions during an extended treatment period. The studies were performed in healthy subjects, blood donors and patients with iron deficiency anaemia and it was found that the absorption of iron from the slow-release tablets was significantly better than from the rapidly-disintegrating tablets in all three groups of subjects. (author)

  9. 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

  10. [Study on lead absorption in pumpkin by atomic absorption spectrophotometry].

    Science.gov (United States)

    Li, Zhen-Xia; Sun, Yong-Dong; Chen, Bi-Hua; Li, Xin-Zheng

    2008-07-01

    A study was carried out on the characteristic of lead absorption in pumpkin via atomic absorption spectrophotometer. The results showed that lead absorption amount in pumpkin increased with time, but the absorption rate decreased with time; And the lead absorption amount reached the peak in pH 7. Lead and cadmium have similar characteristic of absorption in pumpkin.

  11. 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...

  12. Optical band-edge absorption of oxide compound SnO2

    International Nuclear Information System (INIS)

    Roman, L.S.; Valaski, R.; Canestraro, C.D.; Magalhaes, E.C.S.; Persson, C.; Ahuja, R.; Silva, E.F. da; Pepe, I.; Silva, A. Ferreira da

    2006-01-01

    Tin oxide (SnO 2 ) is an important oxide for efficient dielectrics, catalysis, sensor devices, electrodes and transparent conducting coating oxide technologies. SnO 2 thin film is widely used in glass applications due to its low infra-red heat emissivity. In this work, the SnO 2 electronic band-edge structure and optical properties are studied employing a first-principle and fully relativistic full-potential linearized augmented plane wave (FPLAPW) method within the local density approximation (LDA). The optical band-edge absorption α(ω) of intrinsic SnO 2 is investigated experimentally by transmission spectroscopy measurements and their roughness in the light of the atomic force microscopy (AFM) measurements. The sample films were prepared by spray pyrolysis deposition method onto glass substrate considering different thickness layers. We found for SnO 2 qualitatively good agreement of the calculated optical band-gap energy as well as the optical absorption with the experimental results

  13. 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

  14. Edge physics of the quantum spin Hall insulator from a quantum dot excited by optical absorption.

    Science.gov (United States)

    Vasseur, Romain; Moore, Joel E

    2014-04-11

    The gapless edge modes of the quantum spin Hall insulator form a helical liquid in which the direction of motion along the edge is determined by the spin orientation of the electrons. In order to probe the Luttinger liquid physics of these edge states and their interaction with a magnetic (Kondo) impurity, we consider a setup where the helical liquid is tunnel coupled to a semiconductor quantum dot that is excited by optical absorption, thereby inducing an effective quantum quench of the tunneling. At low energy, the absorption spectrum is dominated by a power-law singularity. The corresponding exponent is directly related to the interaction strength (Luttinger parameter) and can be computed exactly using boundary conformal field theory thanks to the unique nature of the quantum spin Hall edge.

  15. 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

  16. Uranium absorption study pile

    International Nuclear Information System (INIS)

    Raievski, V.; Sautiez, B.

    1959-01-01

    The report describes a pile designed to measure the absorption of fuel slugs. The pile is of graphite and comprises a central section composed of uranium rods in a regular lattice. RaBe sources and BF 3 counters are situated on either side of the center. A given uranium charge is compared with a specimen charge of about 560 kg, and the difference in absorption between the two noted. The sensitivity of the equipment will detect absorption variations of about a few ppm boron (10 -6 boron per gr. of uranium) or better. (author) [fr

  17. Understanding the shrinkage of optical absorption edges of nanostructured Cd-Zn sulphide films for photothermal applications

    Energy Technology Data Exchange (ETDEWEB)

    Hossain, Md. Sohrab [Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); Kabir, Humayun [Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Rahman, M. Mahbubur, E-mail: M.Rahman@Murdoch.edu.au [Department of Physics, Jahangirnagar University, Savar, Dhaka 1342 (Bangladesh); Surface Analysis and Materials Engineering Research Group, School of Engineering & Information Technology, Murdoch University, Perth, Western Australia 6150 (Australia); Hasan, Kamrul [Department of Chemistry, College of Sciences, University of Sharjah, P.O. Box 27272, Sharjah (United Arab Emirates); Bashar, Muhammad Shahriar; Rahman, Mashudur [Institute of Fuel and Research Development, Bangladesh Council for Scientific and Industrial Research, Dhanmondi, Dhaka (Bangladesh); Gafur, Md. Abdul [Pilot Plant and Process Development Center, Bangladesh Council for Scientific and Industrial Research, Dhanmondi, Dhaka (Bangladesh); Islam, Shariful [Department of Physics, Comilla University, Comilla (Bangladesh); Amri, Amun [Department of Chemical Engineering, Universitas Riau, Pekanbaru (Indonesia); Jiang, Zhong-Tao [Surface Analysis and Materials Engineering Research Group, School of Engineering & Information Technology, Murdoch University, Perth, Western Australia 6150 (Australia); Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z. [School of Engineering & Information Technology, Murdoch University, Murdoch, WA 6150 (Australia)

    2017-01-15

    Highlights: • Cd-Zn sulphide films synthesized via chemical bath deposition technique. • Nanocrystalline phase of Cd-Zn sulphide films were seen in XRD studies. • Nanocrystalline structures of the films were also confirmed by the SEM. • The band gap of these films is a combination of composition and size. • E{sub U} and σ studies ascribed the shrinkage of absorption edges around the optical band-gaps. - Abstract: In this article Cd-Zn sulphide thin films deposited onto soda lime glass substrates via chemical bath deposition (CBD) technique were investigated for photovoltaic applications. The synthesized films were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet visible (UV–vis) spectroscopic methodologies. A higher degree of crystallinity of the films was attained with the increase of film thicknesses. SEM micrographs exhibited a partial crystalline structure with a particulate appearance surrounded by the amorphous grain boundaries. The optical absorbance and absorption coefficient of the films were also enhanced significantly with the increase in film thicknesses. Optical band-gap analysis indicated a monotonic decrease in direct and indirect band-gaps with the increase of thicknesses of the films. The presence of direct and indirect transitional energies due to the exponential falling edges of the absorption curves may either be due to the lack of long-range order or to the existence of defects in the films. The declination of the optical absorption edges was also confirmed via Urbach energy and steepness parameters studies.

  18. 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.

  19. Calculation of optical and K pre-edge absorption spectra for ferrous iron of distorted sites in oxide crystals

    Science.gov (United States)

    Vercamer, Vincent; Hunault, Myrtille O. J. Y.; Lelong, Gérald; Haverkort, Maurits W.; Calas, Georges; Arai, Yusuke; Hijiya, Hiroyuki; Paulatto, Lorenzo; Brouder, Christian; Arrio, Marie-Anne; Juhin, Amélie

    2016-12-01

    Advanced semiempirical calculations have been performed to compute simultaneously optical absorption and K pre-edge x-ray absorption spectra of Fe2 + in four distinct site symmetries found in minerals. The four symmetries, i.e., a distorted octahedron, a distorted tetrahedron, a square planar site, and a trigonal bipyramidal site, are representative of the Fe2 + sites found in crystals and glasses. A particular attention has been paid to the definition of the p -d hybridization Hamiltonian which occurs for noncentrosymmetric symmetries in order to account for electric dipole transitions. For the different sites under study, an excellent agreement between calculations and experiments was found for both optical and x-ray absorption spectra, in particular in terms of relative intensities and energy positions of electronic transitions. To our knowledge, these are the first calculations of optical absorption spectra on Fe2 + placed in such diverse site symmetries, including centrosymmetric sites. The proposed theoretical model should help to interpret the features of both the optical absorption and the K pre-edge absorption spectra of 3 d transition metal ions and to go beyond the usual fingerprint interpretation.

  20. 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 ...

  1. Luminescence properties of KCl:Ag{sup -} crystals excited near the fundamental absorption edge

    Energy Technology Data Exchange (ETDEWEB)

    Kawai, Taketoshi, E-mail: buri@p.s.osakafu-u.ac.jp [Department of Physical Science, Graduate School of Science, Osaka Prefecture University, Gakuen-cho 1-1, Naka-ku, Sakai, Osaka 599-8531 (Japan); Hirai, Takeshi [Department of Physical Science, Faculty of Science and Engineering, Ritsumeikan University, Noji Higashi 1-1-1, Kusatsu, Shiga 525-8577 (Japan)

    2012-02-15

    Luminescence properties of KCl single crystals doped with Ag{sup -} centers have been investigated under various excitation energies around the fundamental absorption edge at low temperatures. Under the excitation at 6.89 eV, which is lower than the intrinsic exciton energy by 0.87 eV, the A Prime luminescence band due to the intraionic transition in the Ag{sup -} ion is dominantly observed at 2.91 eV. On the other hand, the excitation at 6.66 eV induces a broad luminescence band at 2.60 eV in addition to the A Prime luminescence band. From the comparison with the localized excitons in KCl:I crystals, the 2.60 eV luminescence band is attributed to the two-center type localized exciton related with the Ag{sup -} ion. The adiabatic potential energy surfaces of the excited states in the Ag{sup -} center and the localized exciton in KCl:Ag{sup -} are discussed. - Highlights: Black-Right-Pointing-Pointer We study the luminescence properties of KCl single crystals doped with Ag{sup -} ions. Black-Right-Pointing-Pointer The excitation around the absorption edge induces a broad luminescence at 2.60 eV. Black-Right-Pointing-Pointer The 2.60 eV luminescence is attributed to the exciton localized at the Ag{sup -} ion. Black-Right-Pointing-Pointer The localized exciton has the two-center type configuration of the relaxed exciton.

  2. 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.

  3. The dispersion of the refractive index of semiconductors at the edge of their intrinsic absorption

    International Nuclear Information System (INIS)

    Kudykina, T.A.; Lisitsa, M.P.

    1986-01-01

    The authors discuss the frequency dependence of the refractive index of various semiconductors near the edge of their intrinsic absorption in both theory and experiment. Beginning with random phase approximation, equations are presented which include all possible excitations and result in values for the width of the forbidden energy gap, the oscillator strengths, and spectral functions for the absorption coefficients. Data are presented for the following materials: CdS, CdSe, CdTe, GaSb, InP, GaAs, ZnTe, PbTe, InAs, InSb, and ZnSe

  4. Determination of uranium in bench test by L_Ⅲ-absorption edge method

    International Nuclear Information System (INIS)

    Song You; Zheng Weiming; Liu Guijiao; Chen Chen

    2014-01-01

    By independent research L_Ⅲ--absorption edge densimeter, an analytical method for uranium sample with the concentration from 20 g/L to 200 g/L was developed. The fitting area for uranium measurement was determined through experiment. The left fitting area was 1659-1856 channel, and the right one was 2063-2280 channel. The uranium L_Ⅲ--absorption edge was at 1995 channel. The results show that the influence of HNO_3 concentration lower than 9 mol/L, Al and Fe concentration lower than 10 g/L was negligibly small. The uranium measurement precision is better than 0.5%, and the instrument stability is good. Some samples in bench test of uranium recovery were determined. The results are satisfactory. (authors)

  5. White line structure in the x-ray Lsub(III) absorption edge of holmium

    International Nuclear Information System (INIS)

    Agarwal, B.K.; Agarwal, B.R.K.

    1978-01-01

    The white line at the Ho Lsub(III) absorption edge has been recorded in Ho metal, Ho 2 O 3 and HoCl 3 . The white line structure in Ho 2 O 3 has been analysed by regarding it as due to the transition into bound states of the Lsub(III) excited ion. The extended fine structure has been used to obtain information on the bond lengths in the compounds. (author)

  6. Microanalysis of iron oxidation state in iron oxides using X Ray Absorption Near Edge Structure (XANES)

    Science.gov (United States)

    Sutton, S. R.; Delaney, J.; Bajt, S.; Rivers, M. L.; Smith, J. V.

    1993-01-01

    An exploratory application of x ray absorption near edge structure (XANES) analysis using the synchrotron x ray microprobe was undertaken to obtain Fe XANES spectra on individual sub-millimeter grains in conventional polished sections. The experiments concentrated on determinations of Fe valence in a suite of iron oxide minerals for which independent estimates of the iron speciation could be made by electron microprobe analysis and x ray diffraction.

  7. 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

  8. Grazing exit versus grazing incidence geometry for x-ray absorption near edge structure analysis of arsenic traces

    International Nuclear Information System (INIS)

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

    2009-01-01

    In the presented study the grazing exit x-ray fluorescence was tested for its applicability to x-ray absorption near edge structure analysis of arsenic in droplet samples. The experimental results have been compared to the findings of former analyses of the same samples using a grazing incidence (GI) setup to compare the performance of both geometries. Furthermore, the investigations were accomplished to gain a better understanding of the so called self-absorption effect, which was observed and investigated in previous studies using a GI geometry. It was suggested that a normal incidence-grazing-exit geometry would not suffer from self-absorption effects in x-ray absorption fine structure (XAFS) analysis due to the minimized path length of the incident beam through the sample. The results proved this assumption and in turn confirmed the occurrence of the self-absorption effect for GI geometry. Due to its lower sensitivity it is difficult to apply the GE geometry to XAFS analysis of trace amounts (few nanograms) of samples but the technique is well suited for the analysis of small amounts of concentrated samples

  9. HIGHER ORDER SPECIATION EFFECTS ON PLUTONIUM L3 X-RAY ABSORPTION NEAR EDGE SPECTRA.

    Energy Technology Data Exchange (ETDEWEB)

    Conradson, Steven D.; Abney, Kent D.; Begg, Bruce D.; Brady, Erik D.; Clark, David L.; den Auwer, Christophe; Ding, Mei; Dorhout, Peter K.; Espinosa-Faller, Francisco J.; Gordon, Pamela L.; Hess, Nancy J.; Hess, Ryan F.; Keogh, D. Webster; Lander, Gerard H.; Lupinetti, Anthony J.; Neu, Mary P.; Palmer, Phillip D.; Paviet-Hartmann, Patricia; Reilly, Sean D.; Runde, Wolfgang H.; Tait, C. Drew; Veirs, D. Kirk

    2003-06-09

    Pu L{sub 3} X-ray Near Edge Absorption Spectra for Pu(0-VII) are reported for more than 50 chalcogenides, chlorides, hydrates, hydroxides, nitrates, carbonates, oxy-hydroxides, and other compounds both as solids and in solution, and substituted in zirconlite, perovksite, and borosilicate glass. This large data base extends the known correlations between the energy and shape of these spectra from the usual association of the XANES with valence and site symmetry to higher order chemical effects. Because of the large number of compounds of these different types a number of novel and unexpected behaviors are observed.

  10. X-ray K-absorption edge of zirconium in some perovskite type zirconates

    Energy Technology Data Exchange (ETDEWEB)

    Chougule, B K; Patil, R N [Shivaji Univ., Kolhapur (India). Dept. of Physics

    1979-01-01

    The chemical shifts in the X-ray K-absorption edges of zirconium in the zirconates of calcium, strontium, barium and lead and zirconium oxide have been investigated employing a 400 mm bent crystal X-ray spectrograph. It has been found that the discontinuity shifts towards the high energy side with respect to that in the pure metal and that the chemical shift depends upon the size of the next nearest cation. The larger the size of the cation, smaller is the chemical shift. Dependence of the shift on the crystal structure and the packing factor of the perovskite is also reported.

  11. Edge-promoting reconstruction of absorption and diffusivity in optical tomography

    International Nuclear Information System (INIS)

    Hannukainen, A; Hyvönen, N; Majander, H; Harhanen, L

    2016-01-01

    In optical tomography a physical body is illuminated with near-infrared light and the resulting outward photon flux is measured at the object boundary. The goal is to reconstruct internal optical properties of the body, such as absorption and diffusivity. In this work, it is assumed that the imaged object is composed of an approximately homogeneous background with clearly distinguishable embedded inhomogeneities. An algorithm for finding the maximum a posteriori estimate for the absorption and diffusion coefficients is introduced assuming an edge-preferring prior and an additive Gaussian measurement noise model. The method is based on iteratively combining a lagged diffusivity step and a linearization of the measurement model of diffuse optical tomography with priorconditioned LSQR. The performance of the reconstruction technique is tested via three-dimensional numerical experiments with simulated data. (paper)

  12. 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.)

  13. 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.

  14. Integrated core-edge-divertor modeling studies

    International Nuclear Information System (INIS)

    Stacey, W.M.

    2001-01-01

    An integrated calculation model for simulating the interaction of physics phenomena taking place in the plasma core, in the plasma edge and in the SOL and divertor of tokamaks has been developed and applied to study such interactions. The model synthesises a combination of numerical calculations (1) the power and particle balances for the core plasma, using empirical confinement scaling laws and taking into account radiation losses (2), the particle, momentum and power balances in the SOL and divertor, taking into account the effects of radiation and recycling neutrals, (3) the transport of feeling and recycling neutrals, explicitly representing divertor and pumping geometry, and (4) edge pedestal gradient scale lengths and widths, evaluation of theoretical predictions (5) confinement degradation due to thermal instabilities in the edge pedestals, (6) detachment and divertor MARFE onset, (7) core MARFE onsets leading to a H-L transition, and (8) radiative collapse leading to a disruption and evaluation of empirical fits (9) power thresholds for the L-H and H-L transitions and (10) the width of the edge pedestals. The various components of the calculation model are coupled and must be iterated to a self-consistent convergence. The model was developed over several years for the purpose of interpreting various edge phenomena observed in DIII-D experiments and thereby, to some extent, has been benchmarked against experiment. Because the model treats the interactions of various phenomena in the core, edge and divertor, yet is computationally efficient, it lends itself to the investigation of the effects of different choices of various edge plasma operating conditions on overall divertor and core plasma performance. Studies of the effect of feeling location and rate, divertor geometry, plasma shape, pumping and over 'edge parameters' on core plasma properties (line average density, confinement, density limit, etc.) have been performed for DIII-D model problems. A

  15. Influence of defects on the absorption edge of InN thin films: The band gap value

    Science.gov (United States)

    Thakur, J. S.; Danylyuk, Y. V.; Haddad, D.; Naik, V. M.; Naik, R.; Auner, G. W.

    2007-07-01

    We investigate the optical-absorption spectra of InN thin films whose electron density varies from ˜1017tõ1021cm-3 . The low-density films are grown by molecular-beam-epitaxy deposition while highly degenerate films are grown by plasma-source molecular-beam epitaxy. The optical-absorption edge is found to increase from 0.61to1.90eV as the carrier density of the films is increased from low to high density. Since films are polycrystalline and contain various types of defects, we discuss the band gap values by studying the influence of electron degeneracy, electron-electron, electron-ionized impurities, and electron-LO-phonon interaction self-energies on the spectral absorption coefficients of these films. The quasiparticle self-energies of the valence and conduction bands are calculated using dielectric screening within the random-phase approximation. Using one-particle Green’s function analysis, we self-consistently determine the chemical potential for films by coupling equations for the chemical potential and the single-particle scattering rate calculated within the effective-mass approximation for the electron scatterings from ionized impurities and LO phonons. By subtracting the influence of self-energies and chemical potential from the optical-absorption edge energy, we estimate the intrinsic band gap values for the films. We also determine the variations in the calculated band gap values due to the variations in the electron effective mass and static dielectric constant. For the lowest-density film, the estimated band gap energy is ˜0.59eV , while for the highest-density film, it varies from ˜0.60tõ0.68eV depending on the values of electron effective mass and dielectric constant.

  16. 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.

  17. 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

  18. Anomalous x-ray attenuation coefficients around the absorption edges using Mn Ksub(α) and Cu Ksub(α) x-rays

    International Nuclear Information System (INIS)

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

    1994-01-01

    The x-ray attenuation coefficients for three elements and for eight compounds are determined, adopting the method developed by employing a proportional counter, with a view to study the effect of fine structure on the mass attenuation coefficient values using Mn K α and Cu K α x-rays derived from K x-ray emitters, 55 Fe and 65 Zn radioactive sources, by a differential absorption technique. It is experimentally established that a small difference in energy between K α1 and K α2 (11 eV in the case of Mn K α and 24 eV in the case of the Cu K α x-ray) is inconsequential by comparing the measured and theoretical values of μ/ρ for standard elements, aluminium, copper and tantalum. The effect of fine structure on μ/ρ values is studied using the compounds containing one element with its absorption edge close to the incident photon energy. Results obtained in the present investigation show the nonvalidity of the mixture rule above the edge and also below the edge, ranging from about 600 eV below the edge to about 1500 eV about the edge. The contribution of resonance Raman scattering to the attenuation coefficient and indications to the presence of pre-edge structure similar to EXAFS are discussed. (author)

  19. 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

  20. Constraining Primordial Black Holes with the EDGES 21-cm Absorption Signal arXiv

    CERN Document Server

    Hektor, Andi; Marzola, Luca; Raidal, Martti; Vaskonen, Ville; Veermäe, Hardi

    The EDGES experiment has recently measured an anomalous global 21-cm spectrum due to hydrogen absorptions at redshifts of about $z\\sim 17$. Model independently, the unusually low temperature of baryons probed by this observable sets strong constraints on any physical process that transfers energy into the baryonic environment at such redshifts. Here we make use of the 21-cm spectrum to derive bounds on the energy injection due to a possible population of ${\\cal O}(1-100) M_\\odot$ primordial black holes, which induce a wide spectrum of radiation during the accretion of the surrounding gas. After calculating the total radiative intensity of a primordial black hole population, we estimate the amount of heat and ionisations produced in the baryonic gas and compute the resulting thermal history of the Universe with a modified version of RECFAST code. Finally, by imposing that the temperature of the gas at $z\\sim 17$ does not exceed the indications of EDGES, we constrain the possible abundance of primordial black h...

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  2. The fundamental absorption edge in MnIn{sub 2}Se{sub 4} layer semi-magnetic semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Rincón, C., E-mail: crincon@ula.ve [Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida (Venezuela, Bolivarian Republic of); Torrres, T.E. [Laboratorio de Magnetismo, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida (Venezuela, Bolivarian Republic of); Instituto de Nanociencia de Aragón, Laboratorio de Microscopías Avanzadas, Universidad de Zaragoza 50009, Zaragoza (Spain); Departamento de Física de la Materia Condensada, Facultad de Ciencias, Universidad de Zaragoza 50009, Zaragoza, Spain. (Spain); Sagredo, V. [Laboratorio de Magnetismo, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida (Venezuela, Bolivarian Republic of); Jiménez-Sandoval, Sergio J.; Mares-Jacinto, E. [CINVESTAV Querétaro, Libramiento Norponiente N° 2000, Frac. Real de Juriquilla, Querétaro, Qro. 76230 (Mexico)

    2015-11-15

    From the study of the optical absorption coefficient and photoluminescence spectra of the layer semi-magnetic semiconductor MnIn{sub 2}Se{sub 4} the nature of its fundamental absorption edge is established. It is found that the lowest-energy-gap of this compound is allowed-indirect between parabolic bands that vary from about 1.55–1.43 eV in the temperature range from 10 K to room temperature. In addition, two allowed direct band-to-band transitions beginning at 1.72 and 1.85 eV at 295 K, and at 1.82 and 1.96 eV at 10 K which are related to optical absorption processes between the uppermost Γ{sub 4}(z) and the middle Γ{sub 5}(x) valence bands and the conduction band respectively, are observed in the high energy range. It is also found that the crystal field splitting parameter (Δ{sub cf}) of MnIn{sub 2}Se{sub 4} is of about 0.15 eV nearly independent of the temperature. At energies around 2.2 eV a photoluminescence band related to internal transitions between d-excited levels of Mn{sup +2} ion to its {sup 6}A{sub 1} ground state is also observed in spectra.

  3. Evaluation of bulk and surfaces absorption edge energy of sol-gel-dip-coating SnO2 thin films

    Directory of Open Access Journals (Sweden)

    Emerson Aparecido Floriano

    2010-12-01

    Full Text Available The absorption edge and the bandgap transition of sol-gel-dip-coating SnO2 thin films, deposited on quartz substrates, are evaluated from optical absorption data and temperature dependent photoconductivity spectra. Structural properties of these films help the interpretation of bandgap transition nature, since the obtained nanosized dimensions of crystallites are determinant on dominant growth direction and, thus, absorption energy. Electronic properties of the bulk and (110 and (101 surfaces are also presented, calculated by means of density functional theory applied to periodic calculations at B3LYP hybrid functional level. Experimentally obtained absorption edge is compared to the calculated energy band diagrams of bulk and (110 and (101 surfaces. The overall calculated electronic properties in conjunction with structural and electro-optical experimental data suggest that the nature of the bandgap transition is related to a combined effect of bulk and (101 surface, which presents direct bandgap transition.

  4. X-ray reflectivity of cobalt and titanium in the vicinity of the Lsub(2,3) absorption edges

    International Nuclear Information System (INIS)

    Bremer, J.; Kaihola, L.; Keski-Kuha, R.

    1980-01-01

    X-ray reflectivity across cobalt and titanium Lsub(2,3) absorption edges was measured as a function of energy by means of continuous radiation from a tungsten anode in a grating spectrometer. The real and imaginary parts of the refractive index were obtained from the absorption curves and an exact Kramers-Kronig analysis. A measured fine structure in the reflected intensities was interpreted as an effect of white lines in the absorption spectra. The x-ray intensity was calculated as a function of energy by means of the Fresnel formula. (author)

  5. 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.

  6. 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

  7. X-ray absorption near-edge structure of GaN with high Mn concentration grown on SiC

    Science.gov (United States)

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

    2009-07-01

    By means of x-ray absorption near-edge structure (XANES) several Ga1-xMnxN (0.03edges. All samples studied present a similar Mn ionization state, very close to 2+, and tetrahedral coordination. In order to interpret the near-edge structure, we have performed ab initio calculations using the full potential linear augmented plane wave method as implemented in the Wien2k code. The calculations show the appearance of a Mn bonding \\mathrm {t_{2}}\\uparrow band localized in the gap region, and the corresponding anti-bonding state \\mathrm {t_{2}}\\downarrow , which seem to be responsible for the double structure which appears at the pre-edge absorption region. The shoulders and main absorption peak of the XANES spectra are attributed to transitions from the Mn(1s) band to the conduction bands, which are partially dipole allowed because of the Mn(4p) contribution to these bands.

  8. X-ray absorption near-edge structure of GaN with high Mn concentration grown on SiC

    Energy Technology Data Exchange (ETDEWEB)

    Sancho-Juan, O; Cantarero, A; Garro, N; Cros, A [Materials Science Institute, University of Valencia, PO Box 22085, E46071 Valencia (Spain); Martinez-Criado, G; Salome, M; Susini, J [European Synchrotron Radiation Facility, 6 rue Jules Horowitz, 38043 Grenoble (France); Olguin, D [Dept. de Fisica, CINVESTAV-IPN, 07300 Mexico D F (Mexico); Dhar, S [Experimentalphysik, Universitaet Duisburg-Essen, Lotharstrasse 1, 47057 Duisburg (Germany)

    2009-07-22

    By means of x-ray absorption near-edge structure (XANES) several Ga{sub 1-x}Mn{sub x}N (0.03edges. All samples studied present a similar Mn ionization state, very close to 2+, and tetrahedral coordination. In order to interpret the near-edge structure, we have performed ab initio calculations using the full potential linear augmented plane wave method as implemented in the Wien2k code. The calculations show the appearance of a Mn bonding t{sub 2}arrow up band localized in the gap region, and the corresponding anti-bonding state t{sub 2}arrow down, which seem to be responsible for the double structure which appears at the pre-edge absorption region. The shoulders and main absorption peak of the XANES spectra are attributed to transitions from the Mn(1s) band to the conduction bands, which are partially dipole allowed because of the Mn(4p) contribution to these bands.

  9. 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.)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-11-27

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

  11. Active control of an edge-mode-based plasmon-induced absorption sensor.

    Science.gov (United States)

    Li, Yong; Su, Yi; Lin, Qi; Zhai, Xiang; Wang, Ling-Ling

    2018-04-01

    We investigate the formation and evolution of plasmon-induced absorption (PIA) effect in a three-dimensional graphene waveguide structure. The PIA window is formed by near-field coupling of the graphene edge mode, the extremely destructive interference between the radiative mode and sub-radiative mode of graphene nanoribbons. The resonance intensity has a significant dependence on the coupling distance between the graphene nanoribbons. At the same time, it is particularly sensitive to the refractive index of the environment, which is promising for sensing devices. In addition, the resonant wavelength can be actively controlled by changing the Fermi energy of graphene. Moreover, it can be seen that the group time delay of the PIA window reaches -0.28   ps , which is a good candidate for ultrafast light application. Finally, additional graphene nanoribbons can also form a double-channel PIA window. Our work may provide an excellent platform for controlling the optical transmission of highly integrated plasmonic components.

  12. Simulating Ru L3-edge X-ray absorption spectroscopy with time-dependent density functional theory: model complexes and electron localization in mixed-valence metal dimers.

    Science.gov (United States)

    Van Kuiken, Benjamin E; Valiev, Marat; Daifuku, Stephanie L; Bannan, Caitlin; Strader, Matthew L; Cho, Hana; Huse, Nils; Schoenlein, Robert W; Govind, Niranjan; Khalil, Munira

    2013-05-30

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of Ru(II) and Ru(III) complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6](4-) and Ru(II) polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5M(II)-CN-Ru(III)(NH3)5](-) (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  13. 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.

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

    DEFF Research Database (Denmark)

    Coriani, Sonia; Christiansen, Ove; Fransson, Thomas

    2012-01-01

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

  15. 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)

  16. The dispersion surface of X-rays very near the absorption edge

    International Nuclear Information System (INIS)

    Fukamachi, T.; Negishi, R.; Kawamura, T.

    1995-01-01

    To discuss the X-ray dynamical diffraction when the imaginary part of the X-ray polarizability is larger than the real part, the dispersion surface is studied as a function of the ratio between the real and the imaginary parts of the polarizability. The dispersion surface in the Laue case when the real part is zero has a similar form to that in the Bragg case when the imaginary part is zero. The relations between the dispersion surface and the diffracted intensity are studied in some special cases. The abnormal absorption and the abnormal transmission effect are related to the features of the dispersion surface. (orig.)

  17. Investigation into short-range order, electric conductivity and optical absorption edge of indium selenide thin amorphous films

    International Nuclear Information System (INIS)

    Bilyj, M.N.; Didyk, G.V.; Stetsiv, Ya.I.; Yurechko, R.Ya.

    1980-01-01

    Thin amorphous films of InSe have been obtained by the method of discrete vacuum evaporation of about 10 -2 Pa. The short-range order is investigated according to the radial distribution curves. The temperature and film thickness are shown to affect the character of conductivity. The width of the forbidden band determined by the fundamental absorption edge is found to depend on the time of film annealing

  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. High-resolution Al L2,3-edge x-ray absorption near edge structure spectra of Al-containing crystals and glasses: coordination number and bonding information from edge components

    International Nuclear Information System (INIS)

    Weigel, C; Calas, G; Cormier, L; Galoisy, L; Henderson, G S

    2008-01-01

    High-resolution Al L 2,3 -edge x-ray absorption near edge structure (XANES) spectra have been measured in selected materials containing aluminium in 4-, 5- and 6-coordination. A shift of 1.5 eV is observed between the onset of [4] Al and [6] Al L 2,3 -edge XANES, in agreement with the magnitude of the shift observed at the Al K-edge. The differences in the position and shape of low-energy components of Al L 2,3 -edge XANES spectra provide a unique fingerprint of the geometry of the Al site and of the nature of Al-O chemical bond. The high resolution allows the calculation of electronic parameters such as the spin-orbit coupling and exchange energy using intermediate coupling theory. The electron-hole exchange energy decreases in tetrahedral as compared to octahedral symmetry, in relation with the increased screening of the core hole in the former. Al L 2,3 -edge XANES spectra confirm a major structural difference between glassy and crystalline NaAlSi 2 O 6 , with Al in 4- and 6-coordination, respectively, Al coordination remaining unchanged in NaAl 1-x Fe x Si 2 O 6 glasses, as Fe is substituted for Al

  20. Study of airfoil trailing edge bluntness noise

    DEFF Research Database (Denmark)

    Zhu, Wei Jun; Shen, Wen Zhong; Sørensen, Jens Nørkær

    2010-01-01

    This paper deals with airfoil trailing edge noise with special focus on airfoils with blunt trailing edges. Two methods are employed to calculate airfoil noise: The flow/acoustic splitting method and the semi-empirical method. The flow/acoustic splitting method is derived from compressible Navier...... design or optimization. Calculations from both methods are compared with exist experiments. The airfoil blunt noise is found as a function of trailing edge bluntness, Reynolds number, angle of attack, etc....

  1. Study of edge turbulence in tokamak plasmas

    International Nuclear Information System (INIS)

    Sarazin, Y.

    1997-01-01

    The aim of this work is to propose a new frame to study turbulent transport in plasmas. In order to avoid the restraint of scale separability the forcing by flux is used. A critical one-dimension self-organized cellular model is developed. In keeping with experience the average transport can be described by means of diffusion and convection terms whereas the local transport could not. The instability due to interchanging process is thoroughly studied and some simplified equations are derived. The proposed model agrees with the following experimental results: the relative fluctuations of density are maximized on the edge, the profile shows an exponential behaviour and the amplitude of density fluctuations depends on ionization source strongly. (A.C.)

  2. 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.

  3. Scanning tunneling microscopy and spectroscopy studies of graphite edges

    International Nuclear Information System (INIS)

    Niimi, Y.; Matsui, T.; Kambara, H.; Tagami, K.; Tsukada, M.; Fukuyama, Hiroshi

    2005-01-01

    We studied experimentally and theoretically the electronic local density of states (LDOS) near single-step edges at the surface of exfoliated graphite. In scanning tunneling microscopy measurements, we observed the (3x3)R30 o and honeycomb superstructures extending over 3-4-bar nm both from the zigzag and armchair edges. Calculations based on a density-functional-derived non-orthogonal tight-binding model show that these superstructures can coexist if the two types of edges admix each other in real graphite step edges. Scanning tunneling spectroscopy measurements near the zigzag edge reveal a clear peak in the LDOS at an energy below the Fermi energy by 20-bar meV. No such a peak was observed near the armchair edge. We concluded that this peak corresponds to the 'edge state' theoretically predicted for graphene ribbons, since a similar prominent LDOS peak due to the edge state is obtained by the first principles calculations

  4. 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.

  5. Quantitative uranium speciation with U M{sub 4,5}-edge HERFD absorption spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kvashnina, Kristina O.; Rossberg, Andre [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Molecular Structures

    2017-06-01

    This report gives a brief description of the quantitative uranium speciation performed by iterative transformation factor analysis (ITFA) of High Energy Resolution X-ray Fluorescence Detection (HERFD) data collected at the M{sub 4,5} edge.

  6. Analysis of sulfidic linkages formed in natural rubber latex medical gloves by using X-ray absorption near edge structure

    Science.gov (United States)

    Chankrachang, M.; Limphirat, W.; Yongyingsakthavorn, P.; Nontakaew, U.; Tohsan, A.

    2017-09-01

    A study of sulfidic linkages formed in natural rubber (NR) latex medical gloves by using X-ray Absorption Near Edge Structure (XANES) is presented in this paper. The NR latex compound was prepared by using prevulcanization method, that is, it was prevulcanized at room temperature for 24 hrs before utilization. After the 24 hrs of prevulcanization, the latex film samples were obtained by dipping process. The dipped films were subjected to vulcanize at 110°C for 5 to 25 min. It was observed that after the compound was prevulcanized for 24 hrs, polysulfidic linkages were mainly formed in the sample. It was however found that after curing at 110°C for 5-25 min, the polysulfidic linkages are tended to change into disulfide linkages. Especially, in the case of 25 minutes cured sample, disulfide linkages are found to be the main linkages. In term of tensile strength, it was observed that when cure time increased from 5 - 10 min, tensile strengths were also increased. But when the cure time of the film is 25 minutes, tensile strength was slightly dropped. The dropped of tensile strength when cure time is longer than 10 minutes can be ascribed to a degradation of polysulfidic and disulfidic linkages during curing. Therefore, by using XANES analysis, it was found to be very useful to understand the cure characteristic, thus it can be very helpful to optimize cure time and tensile properties of the product.

  7. White lines at the Lsub(I), Lsub(II), and Lsub(III) absorption edges of some rare earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Garg, K B; Sharma, B K; Jain, D C [Rajasthan Univ., Jaipur (India). Dept. of Physics; Sinha, A I.P. [Banasthali Vidyapeeth (India). Dept. of Chemistry

    1980-11-01

    The paper reports the appearance of white lines (WLS) at all the three L-absorption edges of the sulfur coordinated thiosalicylic acid compounds of Sm, Tb, and Dy. The profiles of the observed WLS are presented and discussed.

  8. In situ time-resolved X-ray near-edge absorption spectroscopy of selenite reduction by siderite

    International Nuclear Information System (INIS)

    Badaut, V.; Schlegel, M.L.; Descostes, M.; Moutiers, G.

    2012-01-01

    The reduction oxidation-reaction between aqueous selenite (SeO 3 2- ) and siderite (FeCO 3 (s)) was monitored by in situ, time-resolved X-ray absorption near-edge structure (XANES) spectroscopy at the selenium K edge in a controlled electrochemical environment. Spectral evolutions showed that more than 60% of selenite was reduced at the siderite surface after 20 h of experiment, at which time the reaction was still incomplete. Fitting of XANES spectra by linear combination of reference spectra showed that selenite reaction with siderite is essentially a two-step process, selenite ions being immobilized on siderite surface prior to their reduction. A kinetic model of the reduction step is proposed, allowing to identify the specific contribution of surface reduction. These results have strong implications for the retention of selenite by corrosion products in nuclear waste repositories and in a larger extent for the fate of selenium in the environment. (authors)

  9. Electronic Structure from Iron L-edge Spectroscopy : An Example of Spin Transition Evidenced by Soft X-ray Absorption Spectroscopy

    NARCIS (Netherlands)

    Cartier dit Moulin, Ch.; Flank, A.M.; Rudolf, P.; Chen, C.T.

    1993-01-01

    Soft X-ray Absorption Spectroscopy at the transition metal L2,3 edges provides information about the 3d unoccupied states by dipole allowed transitions. We have recorded iron L2,3 edges in order to follow the reversible thermal spin interconversion (S=2 S=0) of the Fe(II)(o-phenantroline)2(NCS)2.

  10. X-ray absorption near-edge spectroscopy of plutonium solid species

    International Nuclear Information System (INIS)

    Kropf, A. J.

    1998-01-01

    We present XANES at the L III edge for four plutonium solid phases: Pu(III)F 3 , Pu(IV)O 2 , NaPu(V)O 2 CO 3 , and Ba 3 Pu(VI)O 6 . These correspond to the four important oxidation states in the process chemistry and environmental chemistry of plutonium. By a fitting method that uses an arc tangent function and gaussian curves, it was possible to reproducibly determine the edge energy and distinguish among the four oxidation states. These data demonstrate a 1.85 ± 0.20 eV shift per oxidation state

  11. Electronic structure of Cr doped Fe3O4 thin films by X-ray absorption near-edge structure spectroscopy

    Science.gov (United States)

    Chen, Chi-Liang; Dong, Chung-Li; Asokan, Kandasami; Chern, G.; Chang, C. L.

    2018-04-01

    Present study reports the electronic structures of Cr doped Fe3O4 (Fe3-xCrxO4 (0 ≤ x ≤ 3) grown on MgO (100) substrates in the form of thin films fabricated by a plasma-oxygen assisted Molecular Beam Epitaxy (MBE). X-ray absorption near-edge structure (XANES) spectra at Cr & Fe L-, and O K-edges were used to understand the electronic structure: changes in the bonding nature, valence states, and site occupancies. Cr doping in Fe3O4 results in the change of charge transfer, crystal structure, and selective occupation of ions in octahedral and tetrahedral sites. Such change modifies the electrical and magnetic properties due to the covalency of Cr ions. The physical and chemical properties of ferrites are strongly dependent on the lattice site, ion size of dopant, and magnetic nature present at different structural symmetry of the spinel structure.

  12. X-Ray K Absorption Edge Structures of Ligand Chlorine Ion in Some Cobalt Coordination Compounds

    Science.gov (United States)

    Obashi, Masayoshi; Matsukawa, Tokuo

    1983-03-01

    The X-ray Cl K absorption spectra in [Co(NH3)6]Cl3, [Co(NH3)5Cl]Cl2, trans-[Co(NH3)4Cl2]Cl and Cs2[CoCl4] are measured with a high-resolution vacuum two-crystal spectrometer. The spectra, except that of [Co(NH3)6]Cl3, show an extremely narrow absorption line at the absorption threshold. The result is interpreted on the basis of molecular orbital theory and it is proposed that the intensity of these narrow absorption lines depends on the chemical state between the cobalt and ligand chlorine ions. The narrow absorption line may well be attributed to transitions of the Cl 1s electron into the eg* antibonding orbitals having partially the 3p character of chlorine in [Co(NH3)5Cl]Cl2 and trans-[Co(NH3)4Cl2]Cl. In Cs2[CoCl4] it may be ascribed to the Cl 1s-t2* transitions.

  13. Resonant photoelectron spectroscopy at the Mo 4p→4d absorption edge in MoS2

    International Nuclear Information System (INIS)

    Lince, J.R.; Didziulis, S.V.; Yarmoff, J.A.

    1991-01-01

    A systematic study has been conducted of the resonant behavior of the valence-band photoelectron spectrum of MoS 2 for hν=26--70 eV, spanning the Mo 4p→4d transition region. A broad Fano-like resonance appears at ∼42 eV in the constant-initial-state (CIS) intensity plot of the d z 2 peak near the valence-band maximum [∼2 eV binding energy (BE)], confirming its predominantly Mo 4d character. A second shoulder on the higher-hν side of the maximum in the d z 2 CIS intensity plot is suggested to result from transitions to unoccupied states in the 5sp band ∼10 eV above E F , by comparison with a partial-yield spectrum and previous inverse-photoemission data. The region of the valence band in the range 3--4.5-eV BE also exhibits resonant behavior, indicating Mo 4d character, although somewhat less than for the d z 2 peak. The 5--7-eV BE range does not exhibit resonance behavior at the Mo 4p edge and, therefore, contains negligible Mo 4d character. A feature at ∼30 eV in the CIS intensity plot for the 5--7-eV BE range could not be definitively assigned in this study, but may be due to a resonance between direct photoemission and a process involving absorption and autoionization of electronic states that contain Mo 5s and 5p character

  14. Desorption, dissociation and orientation of oxygen admolecules on a reconstructed platinum(110)(1x2) surface studied by thermal desorption and near-edge X-ray-absorption fine-structure

    International Nuclear Information System (INIS)

    Ohno, Yuichi; Matsushima, Tatsuo; Tanaka, Shin-ichiro; Kamada, Masao

    1993-01-01

    The desorption, dissociation and orientation of oxygen admolecules on a reconstructed Pt(110)(1x2) were studied by means of TDS combined with isotope tracer, NEXAFS, and angle-resolved TDS. The admolecules below half a monolayer lie on the bottom of the trough, being oriented along it. The molecules adsorbed additionally are lying on declining terraces. The desorption flux of the former species shows a simple cosine distribution, suggesting that the molecule is not localized on the bottom in the desorption event. (author)

  15. Effect of exciton polaritons of absorption edge of GaTe

    International Nuclear Information System (INIS)

    Kurbatov, L.N.; Dirochka, A.I.; Sosin, V.A.

    1979-01-01

    The experimental results, pointing to the dependence of spectral and integral coefficients of exciton absorption as well as to the exciton relaxation parameter γsub(0) over the exciton zone on the sample thickness, are presented. It is tried to explain the inverse dependences of absorption intensity in the maximum of αsub(max) and γsub(0) exciton line within the limits of polariton theory. The values of polariton free path length in GaTe at various temperatures, as well as the volume γsub(vol.) and surface γsub(surf.) parameters of exciton relaxation over the exciton zone are discussed

  16. Physical properties of the interstellar medium using high-resolution Chandra spectra: O K-edge absorption

    Energy Technology Data Exchange (ETDEWEB)

    Gatuzz, E.; Mendoza, C. [Centro de Física, Instituto Venezolano de Investigaciones Científicas (IVIC), P.O. Box 20632, Caracas 1020A (Venezuela, Bolivarian Republic of); García, J. [Harvard-Smithsonian Center for Astrophysics, MS-6, 60 Garden Street, Cambridge, MA 02138 (United States); Kallman, T. R. [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); Bautista, M. A.; Gorczyca, T. W., E-mail: egatuzz@ivic.gob.ve, E-mail: claudio@ivic.gob.ve, E-mail: javier@head.cfa.harvard.edu, E-mail: manuel.bautista@wmich.edu, E-mail: thomas.gorczyca@wmich.edu, E-mail: timothy.r.kallman@nasa.gov [Department of Physics, Western Michigan University, Kalamazoo, MI 49008 (United States)

    2014-08-01

    Chandra high-resolution spectra toward eight low-mass Galactic binaries have been analyzed with a photoionization model that is capable of determining the physical state of the interstellar medium. Particular attention is given to the accuracy of the atomic data. Hydrogen column densities are derived with a broadband fit that takes into account pileup effects, and in general are in good agreement with previous results. The dominant features in the oxygen-edge region are O I and O II Kα absorption lines whose simultaneous fits lead to average values of the ionization parameter of log ξ = –2.90 and oxygen abundance of A{sub O} = 0.70. The latter is given relative to the standard by Grevesse and Sauval, but rescaling with the revision by Asplund et al. would lead to an average abundance value fairly close to solar. The low average oxygen column density (N{sub O} = 9.2 × 10{sup 17} cm{sup –2}) suggests a correlation with the low ionization parameters, the latter also being in evidence in the column density ratios N(O II)/N(O I) and N(O III)/N(O I) that are estimated to be less than 0.1. We do not find conclusive evidence for absorption by any other compound but atomic oxygen in our oxygen-edge region analysis.

  17. Manganese L-edge X-ray absorption spectroscopy of manganese catalase from Lactobacillus plantarum and mixed valence manganese complexes

    Energy Technology Data Exchange (ETDEWEB)

    Grush, M.M.; Chen, J.; George, S.J. [Univ. of California, Davis, CA (United States)] [and others

    1996-01-10

    The first Mn L-edge absorption spectra of a Mn metalloprotein are presented in this paper. Both reduced and superoxidized Mn catalase have been examined by fluorescence-detected soft X-ray absorption spectroscopy, and their Mn L-edge spectra are dramatically different. The spectrum of reduced Mn(II)Mn(II) catalase has been interpreted by ligand field atomic multiplet calculations and by comparison to model compound spectra. The analysis finds a 10 Dq value of nearly 1.1 eV, consistent with coordination by predominately nitrogen and oxygen donor ligands. For interpretation of mixed valence Mn spectra, an empirical simulation procedure based on the addition of homovalent model compound spectra has been developed and was tested on a variety of Mn complexes and superoxidized Mn catalase. This routine was also used to determine the oxidation state composition of the Mn in [Ba{sub 8}Na{sub 2}ClMn{sub 16}(OH){sub 8}(CO{sub 3}){sub 4}L{sub 8}] .53 H{sub 2}O (L=1,3-diamino-2-hydroxypropane-N,N,N`N`-tetraacetic acid). 27 refs., 6 figs.

  18. X-ray absorption near-edge structure of GaN with high Mn concentration grown on SiC

    International Nuclear Information System (INIS)

    Sancho-Juan, O; Cantarero, A; Garro, N; Cros, A; Martinez-Criado, G; Salome, M; Susini, J; Olguin, D; Dhar, S

    2009-01-01

    By means of x-ray absorption near-edge structure (XANES) several Ga 1-x Mn x N (0.03 2 ↑ band localized in the gap region, and the corresponding anti-bonding state t 2 ↓, which seem to be responsible for the double structure which appears at the pre-edge absorption region. The shoulders and main absorption peak of the XANES spectra are attributed to transitions from the Mn(1s) band to the conduction bands, which are partially dipole allowed because of the Mn(4p) contribution to these bands.

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

    International Nuclear Information System (INIS)

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

    1998-01-01

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

  20. Study on edge-extraction of remote sensing image

    International Nuclear Information System (INIS)

    Wen Jianguang; Xiao Qing; Xu Huiping

    2005-01-01

    Image edge-extraction is an important step in image processing and recognition, and also a hot spot in science study. In this paper, based on primary methods of the remote sensing image edge-extraction, authors, for the first time, have proposed several elements which should be considered before processing. Then, the qualities of several methods in remote sensing image edge-extraction are systematically summarized. At last, taking Near Nasca area (Peru) as an example the edge-extraction of Magmatic Range is analysed. (authors)

  1. Numerical studies of edge localized instabilities in tokamaks

    International Nuclear Information System (INIS)

    Wilson, H.R.; Snyder, P.B.; Huysmans, G.T.A.; Miller, R.L.

    2002-01-01

    A new computational tool, edge localized instabilities in tokamaks equilibria (ELITE), has been developed to help our understanding of short wavelength instabilities close to the edge of tokamak plasmas. Such instabilities may be responsible for the edge localized modes observed in high confinement H-mode regimes, which are a serious concern for next step tokamaks because of the high transient power loads which they can impose on divertor target plates. ELITE uses physical insight gained from analytic studies of peeling and ballooning modes to provide an efficient way of calculating the edge ideal magnetohydrodynamic stability properties of tokamaks. This paper describes the theoretical formalism which forms the basis for the code

  2. Probing the influence of X-rays on aqueous copper solutions using time-resolved in situ combined video/X-ray absorption near-edge/ultraviolet-visible spectroscopy

    NARCIS (Netherlands)

    Mesu, J. Gerbrand; Beale, Andrew M.; de Groot, Frank M. F.; Weckhuysen, Bert M.

    2006-01-01

    Time-resolved in situ video monitoring and ultraviolet-visible spectroscopy in combination with X-ray absorption near-edge spectroscopy (XANES) have been used for the first time in a combined manner to study the effect of synchrotron radiation on a series of homogeneous aqueous copper solutions in a

  3. Modification of the Absorption Edge of GaAs Arising from Hot-Electron Effects

    DEFF Research Database (Denmark)

    McGroddy, J. C.; Christensen, Ove

    1973-01-01

    We have observed a large enhancement of the electric-field-induced optical absorption arising from hot-electron effects in n-type GaAs at 77 K. The magnitude and field dependence of the enhancement can be approximately accounted for by a theory attributing the effect to broadening of the final...... states of the optical transitions by interaction with the nonequilibrium optical phonons produced by the hot electrons....

  4. Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

    Science.gov (United States)

    Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

    2018-04-10

    X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

  5. The radiation effects of aspergillus oryzae spores with soft x-rays near the K shell absorption edges of C, N, O elements from synchrotron radiation

    International Nuclear Information System (INIS)

    Chen Liang; Jiang Shiping; Wan Libiao; Ma Xiaodong; Li Meifang

    2007-01-01

    The dose deposition of different parts of Aspergillus oryzae spores were analyzed with soft X-ray energies near the K-shell absorption edges of C, N, O elements (4.4nm, 3.2nm and 2.3nm), respectively. At the same time, the spores were irradiated with the three wavelengths of soft X-rays on the soft X-ray microscopy from synchrotron radiation at NSRL, and the survivals were compared. The theoretical analyses showed that the deposition doses of different parts of the spore were varying with X-ray energies because of the effects of C, N, O K-shell absorption edges and elemental contents of the different parts of spore. The experimental studies proved three wavelengths of soft X-rays all had high killing abilities. Among these, 2.3nm wavelength X-rays had higher radiation damage to spore than that of 3.2nm, 4.4nm. (authors)

  6. Edge-promoting reconstruction of absorption and diffusivity in optical tomography

    DEFF Research Database (Denmark)

    Hannukainen, A.; Harhanen, Lauri Oskari; Hyvönen, N.

    2015-01-01

    In optical tomography a physical body is illuminated with near-infrared light and the resulting outward photon flux is measured at the object boundary. The goal is to reconstruct internal optical properties of the body, such as absorption and diffusivity. In this work, it is assumed that the imaged...... measurement noise model. The method is based on iteratively combining a lagged diffusivity step and a linearization of the measurement model of diffuse optical tomography with priorconditioned LSQR. The performance of the reconstruction technique is tested via three-dimensional numerical experiments...

  7. Resonant photoemission of La and Yb at the 3d absorption edge

    CERN Document Server

    Lagarde, P; Ogasawara, H; Kotani, A

    2003-01-01

    Resonant photoemission and resonant Auger experiments at the 3d threshold are presented for La and Yb over a binding energy domain which extends up to the 4p levels. These experimental results are well explained by calculations in the framework of full-multiplet Hartree-Fock theory with an atomic model. Strong participator and spectator Auger transitions are observed without ordinary Auger transition, indicating that the 4f wavefunction is well localized in the intermediate state even in the case of La. The 4d sub 3 sub / sub 2 and 4d sub 5 sub / sub 2 branching ratio of the 4d resonant photoemission of La at the M sub 4 and M sub 5 edges is observed experimentally and analyzed theoretically. The difference in the resonant processes behavior for La and Yb is discussed based upon the different 4f occupation number.

  8. Edge fluctuation studies in Heliotron J

    International Nuclear Information System (INIS)

    Mizuuchi, T.; Chechkin, V.V.; Ohashi, K.; Sorokovoy, E.L.; Chechkin, A.V.; Gonchar, V.Yu.; Takahashi, K.; Kobayashi, S.; Nagasaki, K.; Okada, H.; Yamamoto, S.; Sano, F.; Kondo, K.; Nishino, N.; Kawazome, H.; Shidara, H.; Kaneko, S.; Fukagawa, Y.; Morita, Y.; Nakazawa, S.; Nishio, S.; Tsuboi, S.; Yamada, M.

    2005-01-01

    Low frequency and small-scale fluctuations of density and potential near the last closed flux surface are investigated by using Langmuir probes for the second harmonic ECH plasmas in a helical-axis heliotron device, Heliotron J. The existence of a plasma layer with a radial electric field shear was indicated near the last closed flux surface. Near this layer, the reversal of phase velocity and de-correlation of the fluctuations were observed. On the other hand, it is suggested that a considerable fraction of the fluctuation induced particle flux is carried off through the intermittent events. Preliminary analyses to classify the PDFs of the ion-saturation current fluctuation as stable Levy distributions demonstrate that the Levy index decreases from the inner to the outer region of edge plasma, suggesting that the PDFs near the boundary region of Heliotron J are nearly Gaussian, whereas at the outer regions of plasma they become strongly non-Gaussian

  9. 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)

  10. A method optimization study for atomic absorption ...

    African Journals Online (AJOL)

    A sensitive, reliable and relative fast method has been developed for the determination of total zinc in insulin by atomic absorption spectrophotometer. This designed study was used to optimize the procedures for the existing methods. Spectrograms of both standard and sample solutions of zinc were recorded by measuring ...

  11. Photoabsorption of the molecular IH cation at the iodine 3 d absorption edge

    Science.gov (United States)

    Klumpp, Stephan; Guda, Alexander A.; Schubert, Kaja; Mertens, Karolin; Hellhund, Jonas; Müller, Alfred; Schippers, Stefan; Bari, Sadia; Martins, Michael

    2018-03-01

    Yields of atomic iodine Iq + (q ≥2 ) fragments resulting from photoexcitation and photoionization of the target ions IH+ and I+ have been measured in the photon-energy range 610-680 eV, which comprises the thresholds for iodine 3 d ionization. The measured ion-yield spectra show two strong and broad resonance features due to the excitation of the 3 d3 /2 ,5 /2 electrons into ɛ f states rather similar for both parent ions. In the 3 d pre-edge range, excitations into (n p π ) -like orbitals and into an additional σ* orbital are found for IH+, which have been identified by comparison of the atomic I+ and molecular IH+ data and with the help of (time-dependent) density functional theory (DFT) and atomic Hartree-Fock calculations. The (5 p π ) orbital is almost atomlike, whereas all other resonances of the IH+ primary ion show a more pronounced molecular character, which is deduced from the chemical shifts of the resonances and the theoretical analysis.

  12. Calculation of near-edge x-ray-absorption fine structure at finite temperatures: Spectral signatures of hydrogen bond breaking in liquid water

    International Nuclear Information System (INIS)

    Hetenyi, Balazs; De Angelis, Filippo; Giannozzi, Paolo; Car, Roberto

    2004-01-01

    We calculate the near-edge x-ray-absorption fine structure of H 2 O in the gas, hexagonal ice, and liquid phases using heuristic density-functional based methods. We present a detailed comparison of our results with experiment. The differences between the ice and water spectra can be rationalized in terms of the breaking of hydrogen bonds around the absorbing molecule. In particular the increase in the pre-edge absorption feature from ice to water is shown to be due to the breaking of a donor hydrogen bond. We also find that in water approximately 19% of hydrogen bonds are broken

  13. Enhanced electroabsorption in strained-layer InxGa1-xAs-InP quantum wells via absorption edge merging

    International Nuclear Information System (INIS)

    Gomatam, B.N.; Anderson, N.G.

    1990-01-01

    Optoelectronic modulators are useful for optical communications, optical computing and other applications which require the electronic control of guided light. Considerable research has recently been devoted to multiple quantum well (MQW) modulators which use an electroabsorption effect unique to quantum wells: the quantum confined Stark effect (QCSE). Voltage controlled optical modulation can be achieved by Stark-shifting the absorption edge above and below the incident photon energy. This paper reports that, to obtain increased optical on-off ratios at decreased drive voltages, the authors are investigating a novel approach which exploits characteristics of MQWs under biaxial tension. The light hole band edge lies at a higher energy than the heavy hole band edge in these structures, which is opposite the case for unstrained or biaxially compressed structures. Since the absorption edge associated with the heavy holes decreases more rapidly with applied field than that for the light holes, merging of the two edges can be expected at some value of the applied field. This effect here called absorption edge merging (AEM), can be expected to give rise to a significant improvement in modulator design. We have theoretically investigated the AEM effect in In x Ga 1-x As/InP quantum well structures with x x Ga 1-x As quantum wells are under tension in such structures, hence the required light hole up band configuration can be achieved

  14. Operando Soft X-ray Absorption Spectroscopic Study on a Solid Oxide Fuel Cell Cathode during Electrochemical Oxygen Reduction.

    Science.gov (United States)

    Nakamura, Takashi; Oike, Ryo; Kimura, Yuta; Tamenori, Yusuke; Kawada, Tatsuya; Amezawa, Koji

    2017-05-09

    An operando soft X-ray absorption spectroscopic technique, which enabled the analysis of the electronic structures of the electrode materials at elevated temperature in a controlled atmosphere and electrochemical polarization, was established and its availability was demonstrated by investigating the electronic structural changes of an La 2 NiO 4+δ dense-film electrode during an electrochemical oxygen reduction reaction. Clear O K-edge and Ni L-edge X-ray absorption spectra could be obtained below 773 K under an atmospheric pressure of 100 ppm O 2 /He, 0.1 % O 2 /He, and 1 % O 2 /He gas mixtures. Considerable spectral changes were observed in the O K-edge X-ray absorption spectra upon changing the PO2 and application of electrical potential, whereas only small spectral changes were observed in Ni L-edge X-ray absorption spectra. A pre-edge peak of the O K-edge X-ray absorption spectra, which reflects the unoccupied partial density of states of Ni 3d-O 2p hybridization, increased or decreased with cathodic or anodic polarization, respectively. The electronic structural changes of the outermost orbital of the electrode material due to electrochemical polarization were successfully confirmed by the operando X-ray absorption spectroscopic technique developed in this study. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method.

    Science.gov (United States)

    Guo, Meiyuan; Sørensen, Lasse Kragh; Delcey, Mickaël G; Pinjari, Rahul V; Lundberg, Marcus

    2016-01-28

    The intensities and relative energies of metal K pre-edge features are sensitive to both geometric and electronic structures. With the possibility to collect high-resolution spectral data it is important to find theoretical methods that include all important spectral effects: ligand-field splitting, multiplet structures, 3d-4p orbital hybridization, and charge-transfer excitations. Here the restricted active space (RAS) method is used for the first time to calculate metal K pre-edge spectra of open-shell systems, and its performance is tested against on six iron complexes: [FeCl6](n-), [FeCl4](n-), and [Fe(CN)6](n-) in ferrous and ferric oxidation states. The method gives good descriptions of the spectral shapes for all six systems. The mean absolute deviation for the relative energies of different peaks is only 0.1 eV. For the two systems that lack centrosymmetry [FeCl4](2-/1-), the ratios between dipole and quadrupole intensity contributions are reproduced with an error of 10%, which leads to good descriptions of the integrated pre-edge intensities. To gain further chemical insight, the origins of the pre-edge features have been analyzed with a chemically intuitive molecular orbital picture that serves as a bridge between the spectra and the electronic structures. The pre-edges contain information about both ligand-field strengths and orbital covalencies, which can be understood by analyzing the RAS wavefunction. The RAS method can thus be used to predict and rationalize the effects of changes in both the oxidation state and ligand environment in a number of hard X-ray studies of small and medium-sized molecular systems.

  16. Overview of edge turbulence and zonal flow studies on TEXTOR

    International Nuclear Information System (INIS)

    Xu, Y.; Kraemer-Flecken, A.; Reiser, D.

    2008-01-01

    In the TEXTOR tokamak, the edge turbulence properties and turbulence-associated zonal flows have been systematically investigated both experimentally and theoretically. The experimental results include the investigation of self-organized criticality (SOC) behavior, the intermittent blob transport and the geodesic acoustic mode (GAM) zonal flows. During the Dynamic Ergodic Divertor (DED) operation in TEXTOR, the impact of an ergodized plasma boundary on edge turbulence, turbulent transport and the fluctuation propagation has also been studied in detail. The results show substantial influence by the DED on edge turbulence. The theoretical simulations for TEXTOR parameters show characteristic features of the GAM flows and strong reduction of the blob transport by the DED at the plasma periphery. Moreover, the modelling reveals the importance of the Reynolds stress in driving mean (or zonal) flows at the plasma edge in the ohmic discharge phase in TEXTOR. (author)

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

    International Nuclear Information System (INIS)

    Akhtar, M.J.

    1995-01-01

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

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

    International Nuclear Information System (INIS)

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

    2017-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Püttner, Ralph [Department of Physics, Freie Universität Berlin, 14195 Berlin (Germany); Schmidt-Weber, Philipp [Fritz Haber Institute of the Max Planck Society, 14195 Berlin (Germany); Kampen, Thorsten [SPECS Surface Nano Analysis GmbH, 13355 Berlin (Germany); Kolczewski, Christine [Deutsches Museum München, 80538 Munich (Germany); Hermann, Klaus [Fritz Haber Institute of the Max Planck Society, 14195 Berlin (Germany); Horn, Karsten, E-mail: horn@fhi-berlin.mpg.de [Fritz Haber Institute of the Max Planck Society, 14195 Berlin (Germany)

    2017-02-15

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

  2. First principles study of edge carboxylated graphene quantum dots

    Science.gov (United States)

    Abdelsalam, Hazem; Elhaes, Hanan; Ibrahim, Medhat A.

    2018-05-01

    The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated using density functional theory. The calculated binding energies show that the hexagonal clusters with armchair edges have the highest stability among all the quantum dots. The binding energy of carboxylated graphene quantum dots increases by increasing the number of carboxyl groups. Our study shows that the total dipole moment significantly increases by adding COOH with the highest value observed in triangular clusters. The edge states in triangular graphene quantum dots with zigzag edges produce completely different energy spectrum from other dots: (a) the energy gap in triangular zigzag is very small as compared to other clusters and (b) the highest occupied molecular orbital is localized at the edges which is in contrast to other clusters where it is distributed over the cluster surface. The enhanced reactivity and the controllable energy gap by shape and edge termination make graphene quantum dots ideal for various nanodevice applications such as sensors. The infrared spectra are presented to confirm the stability of the quantum dots.

  3. Chemical shift of U L3 edges in different uranium compounds obtained by X-ray absorption spectroscopy with synchrotron radiation

    International Nuclear Information System (INIS)

    Joseph, D.; Jha, S.N.; Nayak, C.; Bhattacharyya, D.; Babu, P. Venu

    2014-01-01

    Uranium L 3 X-ray absorption edge was measured in various compounds containing uranium in U 4+ , U 5+ and U 5+ oxidation states. The measurements have been carried out at the Energy Dispersive EXAFS beamline (BL-08) at INDUS-2 synchrotron radiation source at RRCAT, Indore. Energy shifts of ∼ 2-3 eV were observed for U L 3 edge in the U-compounds compared to their value in elemental U. The different chemical shifts observed for the compounds having the same oxidation state of the cation but different anions or ligands show the effect of different chemical environments surrounding the cations in determining their X-ray absorption edges in the above compounds. The above chemical effect has been quantitatively described by determining the effective charges on U cation in the above compounds. (author)

  4. 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)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-01-01

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

  6. Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra.

    Science.gov (United States)

    Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

    2016-02-15

    The restricted active-space (RAS) approach can accurately simulate metal L-edge X-ray absorption spectra of first-row transition metal complexes without the use of any fitting parameters. These characteristics provide a unique capability to identify unknown chemical species and to analyze their electronic structure. To find the best balance between cost and accuracy, the sensitivity of the simulated spectra with respect to the method variables has been tested for two models, [FeCl6 ](3-) and [Fe(CN)6 ](3-) . For these systems, the reference calculations give deviations, when compared with experiment, of ≤1 eV in peak positions, ≤30% for the relative intensity of major peaks, and ≤50% for minor peaks. When compared with these deviations, the simulated spectra are sensitive to the number of final states, the inclusion of dynamical correlation, and the ionization potential electron affinity shift, in addition to the selection of the active space. The spectra are less sensitive to the quality of the basis set and even a double-ζ basis gives reasonable results. The inclusion of dynamical correlation through second-order perturbation theory can be done efficiently using the state-specific formalism without correlating the core orbitals. Although these observations are not directly transferable to other systems, they can, together with a cost analysis, aid in the design of RAS models and help to extend the use of this powerful approach to a wider range of transition metal systems. © 2015 Wiley Periodicals, Inc.

  7. Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

    Science.gov (United States)

    Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

    2014-09-28

    The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

  8. Refractive index of ternary and quaternary compound semiconductors below the fundamental absorption edge: Linear and nonlinear effects

    International Nuclear Information System (INIS)

    Jensen, B.; Torabi, A.

    1985-01-01

    The index of refraction n is calculated as a function of frequency and mole fraction x for the following compounds: Hg/sub l-x/Cd/sub x/Te, Al/sub x/Ga/sub l-x/As, and In/sub l-x/Ga/sub x/As/sub y/P/sub l-y/ lattice matched to InP. Lattice matching of In/sub l-x/Ga/sub x/As/sub y/P/sub l-y/ to InP requires that x = 0.466 y. The theoretical result for the refractive index is obtained from a quantum mechanical calculation of the dielectric constant of a compound semiconductor. It is given in terms of the basic material parameters of band gap energy, effective electron mass m/sub n/, effective heavy hole mass m/sub rho/, spin orbit splitting energy, lattice constant, and carrier concentration n/sub e/ or rho for n-type or rho-type materials, respectively. If these quantities are known as functions of mole fraction x, there are no adjustable parameters involved. A negative change in the refractive index near the fundamental absorption edge is predicted on passing radiation through a crystal if the change in carrier concentration of the initially unoccupied conduction band is assumed proportional to internal intensity I. Comparison of theory with experimental data is given

  9. Absorption edge imaging of sporocide-treated and non-treated bacterial spores

    International Nuclear Information System (INIS)

    Panessa-Warren, B.J.; Tortora, G.T.; Warren, J.B.

    1987-01-01

    When deprived of nutrients, spore forming bacilli produce endospores which are remarkably resistant to chemical sterilization. Little is known about the morphology and response fo these spores following exposure to sporocidal agents. Light microscopy does not provide sufficient resolution for studying the rupture of the spore coat and fate of intracellular material. Transmission and scanning electron microscopy offer superior resolution but require specimen preparation methods that induce physiologic as well as morphologic changes in the spores, thereby making accurate interpretation of micrographs difficult. To eliminate the possible artifacts induced by chemical fixation, dehydration, embeddment, staining and sectioning, treated and non-sporocide-treated endospores of B. thuringiensis and B. subtilis were imaged by x-ray contact microscopy using monochromatic x-rays. 6 refs., 2 figs

  10. 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.

  11. Probes for edge plasma studies of TFTR (invited)

    International Nuclear Information System (INIS)

    Manos, D.M.; Budny, R.V.; Kilpatrick, S.; Stangeby, P.; Zweben, S.

    1986-01-01

    Tokamak fusion test reactor (TFTR) probes are designed to study the interaction of the plasma with material surfaces such as the wall and limiters, and to study the transport of particles and energy between the core and edge. Present probe heads have evolved from prototypes in Princeton large torus (PLT), poloidal divertor experiment (PDX) [Princeton BETA experiment (PBX)], and the initial phase of TFTR operation. The newest heads are capable of making several simultaneous measurements and include Langmuir probes, heat flux probes, magnetic coils, rotating calorimeter fast ion probes, and sample exposure specimens. This paper describes these probe heads and presents some of the data they and their prototypes have acquired. The paper emphasizes measurement of transient plasma effects such as fast ion loss during auxiliary heating, the evolution of the edge plasma during heating, compression, and free expansion, and fluctuations in the edge plasma

  12. 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.

  13. Structural Disorder in Colloidal InAs and CdSe Nanocrystals Observed by X-Ray Absorption Near-Edge Spectroscopy

    International Nuclear Information System (INIS)

    Hamad, K.S.; Hamad, K.S.; Roth, R.; Roth, R.; Rockenberger, J.; Rockenberger, J.; Alivisatos, A.P.; Alivisatos, A.P.; Buuren, T. van

    1999-01-01

    We report the observation of size dependent structural disorder by x-ray absorption near-edge spectroscopy (XANES) in InAs and CdSe nanocrystals 17 - 80 Angstrom in diameter. XANES of the In and Cd M 4,5 edges yields features that are sharp for the bulk solid but broaden considerably as the size of the particle decreases. FEFF7 multiple-scattering simulations reproduce the size dependent broadening of the spectra if a bulklike surface reconstruction of a spherical nanocrystal model is included. This illustrates that XANES is sensitive to the structure of the entire nanocrystal including the surface. copyright 1999 The American Physical Society

  14. Simulating Ru L 3 -Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

    Energy Technology Data Exchange (ETDEWEB)

    Van Kuiken, Benjamin E.; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

    2013-05-30

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  15. Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory.

    Science.gov (United States)

    Nascimento, Daniel R; DePrince, A Eugene

    2017-07-06

    An explicitly time-dependent (TD) approach to equation-of-motion (EOM) coupled-cluster theory with single and double excitations (CCSD) is implemented for simulating near-edge X-ray absorption fine structure in molecular systems. The TD-EOM-CCSD absorption line shape function is given by the Fourier transform of the CCSD dipole autocorrelation function. We represent this transform by its Padé approximant, which provides converged spectra in much shorter simulation times than are required by the Fourier form. The result is a powerful framework for the blackbox simulation of broadband absorption spectra. K-edge X-ray absorption spectra for carbon, nitrogen, and oxygen in several small molecules are obtained from the real part of the absorption line shape function and are compared with experiment. The computed and experimentally obtained spectra are in good agreement; the mean unsigned error in the predicted peak positions is only 1.2 eV. We also explore the spectral signatures of protonation in these molecules.

  16. Manganese in photosynthetic oxygen evolution: An edge and EXAFS study

    International Nuclear Information System (INIS)

    Yachandra, V.K.; Guiles, R.D.; McDermott, A.; Britt, R.D.; Dexheimer, S.L.; Saver, K.; Klein, M.P.

    1985-01-01

    The authors edge studies have previously shown that the Mn edges in photosynthetic samples in the S 1 and S 2 states fall into the range for Mn III and Mn IV complexes, and that the K-edge energy increases appreciably on advancing S 1 to S 2 . This was the first evidence that manganese is directly involved in the storage of oxidizing equivalents. More recently, they have extended this result with better quality data from both spinach and a thermophilic cyanobacterium. The newer results show an interesting structure to the edges, including a 1s to 3d transition. The EXAFS results for spinach membranes show that the salient features of the Mn structure are the same in the S 1 and S 2 states. These features are a Mn neighbor at approx. =2.7 A and O or N neighbors at approx. =1.75 A and approx. =2.0 A. The EXAFS spectrum of the S 1 state of the thermophilic blue green algae are strikingly similar to that of spinach

  17. X-ray absorption fine structure (XAFS) spectroscopy: a tool for structural studies in material sciences (abstract)

    International Nuclear Information System (INIS)

    Akhtar, M.J.

    2011-01-01

    XAFS spectroscopy has revealed itself as a powerful technique for structural characterization of the local atomic environment of individual atomic species, including bond distances, coordination numbers and type of nearest neighbors surrounding the central atom. This technique is particularly useful for materials that show considerable structural and chemical disorder. XAFS spectroscopy has found extensive applications in determining the local atomic and electronic structure of the absorbing centers (atoms) in the materials science, physics, chemistry, biology and geophysics. X-ray absorption edges contain a variety of information on the chemical state and the local structure of the absorbing atom. On the higher energy side of an absorption edge fine structure is observed due to backscattering of the emitted photoelectron. The post-edge region can be divided into two parts. The X-ray Absorption Near Edge Structure (XANES) which extends up to 50 eV of an absorption edge, the spectrum is interpreted in terms of the appropriate components of the local density of states, which would be expected to be sensitive to the valence state of the atom. The intensity, shape and location of the absorption edge features provide information on the valence state, electronic structure and coordination geometry of the absorbing atom.The Extended X-ray Absorption Fine Structure (EXAFS) region is dominated by the single scattering processes and extends up to 1000 eV above the edge and provides information on the radial distribution (coordination number, radial distance and type of neighboring atoms) around the central atom. The results on perovskite based and spinel ferrites systems will be presented, where valence state and cation distributions are determined; the present study will show focus on SrFeO/sub 3/, MnFe/sub 2/O/sub 4/ and Zn/sub 1-x/Ni/sub x/Fe/sub 2/O/sub 4/ materials. (author)

  18. A transient absorption study of allophycocyanin

    Indian Academy of Sciences (India)

    Transient dynamics of allophycocyanin trimers and monomers are observed by using the pump-probe, transient absorption technique. The origin of spectral components of the transient absorption spectra is discussed in terms of both kinetics and spectroscopy. We find that the energy gap between the ground and excited ...

  19. Distribution of solute atoms in β- and spinel Si6-zAlzOzN8-z by Al K-edge x-ray absorption near-edge structure

    International Nuclear Information System (INIS)

    Tatsumi, Kazuyoshi; Mizoguchi, Teruyasu; Yoshioka, Satoru; Tanaka, Isao; Yamamoto, Tomoyuki; Suga, Takeo; Sekine, Toshimori

    2005-01-01

    Local environments of solutes in β- and spinel Si 6-z Al z O z N 8-z are investigated by means of Al K x-ray absorption near-edge structure. The experimental spectra are found to be the same throughout the wide solubility range. This suggests that the local environments of Al are independent of the solute concentration. First-principles band-structure calculations are systematically made to interpret the experimental spectra. Effect of a core hole was included into the calculation. Theoretical spectra were obtained using variety of different model structures constructed by a set of plane-wave pseudopotentials calculations in our previous study [K. Tatsumi, I. Tanaka, H. Adachi, and M. Yoshiya, Phys. Rev. B 66, 165210 (2002)]. The numbers of models were 51 and 45 for both β and spinel, respectively. They are classified and averaged according to the local atomic structure of Al solutes. The combination of experimental spectra and theoretical results can unambiguously lead to the conclusion that Al atoms are preferentially coordinated by O atoms in both β and spinel phases. This is consistent with the conclusion obtained by the first-principles total-energy calculations. In the spinel phase, Al atoms are found to be located preferentially at the octahedral cationic site. This agrees with the conclusion in a recent report on the nuclear magnetic resonance experiment

  20. 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.

  1. Initial Studies of Core and Edge Transport of NSTX Plasmas

    International Nuclear Information System (INIS)

    Synakowski, E.J.; Bell, M.G.; Bell, R.E.; Bush, C.E.; Bourdelle, C.; Darrow, D.; Dorland, W.; Ejiri, A.; Fredrickson, E.D.; Gates, D.A.; Kaye, S.M.; Kubota, S.; Kugel, H.W.; LeBlanc, B.P.; Maingi, R.; Maqueda, R.J.; Menard, J.E.; Mueller, D.; Rosenberg, A.; Sabbagh, S.A.; Stutman, D.; Taylor, G.; Johnson, D.W.; Kaita, R.; Ono, M.; Paoletti, F.; Peebles, W.; Peng, Y-K.M.; Roquemore, A.L.; Skinner, C.H.; Soukhanovskii, V.A.

    2001-01-01

    Rapidly developing diagnostic, operational, and analysis capability is enabling the first detailed local physics studies to begin in high-beta plasmas of the National Spherical Torus Experiment (NSTX). These studies are motivated in part by energy confinement times in neutral-beam-heated discharges that are favorable with respect to predictions from the ITER-89P scaling expression. Analysis of heat fluxes based on profile measurements with neutral-beam injection (NBI) suggest that the ion thermal transport may be exceptionally low, and that electron thermal transport is the dominant loss channel. This analysis motivates studies of possible sources of ion heating not presently accounted for by classical collisional processes. Gyrokinetic microstability studies indicate that long wavelength turbulence with k(subscript ''theta'') rho(subscript ''i'') ∼ 0.1-1 may be suppressed in these plasmas, while modes with k(subscript ''theta'') rho(subscript ''i'') ∼ 50 may be robust. High-harmonic fast-wave (HHFW) heating efficiently heats electrons on NSTX, and studies have begun using it to assess transport in the electron channel. Regarding edge transport, H-mode [high-confinement mode] transitions occur with either NBI or HHFW heating. The power required for low-confinement mode (L-mode) to H-mode transitions far exceeds that expected from empirical edge-localized-mode-free H-mode scaling laws derived from moderate aspect ratio devices. Finally, initial fluctuation measurements made with two techniques are permitting the first characterizations of edge turbulence

  2. Crystallographic study of grain refinement in aluminum alloys using the edge-to-edge matching model

    International Nuclear Information System (INIS)

    Zhang, M.-X.; Kelly, P.M.; Easton, M.A.; Taylor, J.A.

    2005-01-01

    The edge-to-edge matching model for describing the interfacial crystallographic characteristics between two phases that are related by reproducible orientation relationships has been applied to the typical grain refiners in aluminum alloys. Excellent atomic matching between Al 3 Ti nucleating substrates, known to be effective nucleation sites for primary Al, and the Al matrix in both close packed directions and close packed planes containing these directions have been identified. The crystallographic features of the grain refiner and the Al matrix are very consistent with the edge-to-edge matching model. For three other typical grain refiners for Al alloys, TiC (when a = 0.4328 nm), TiB 2 and AlB 2 , the matching only occurs between the close packed directions in both phases and between the second close packed plane of the Al matrix and the second close packed plane of the refiners. According to the model, it is predicted that Al 3 Ti is a more powerful nucleating substrate for Al alloy than TiC, TiB 2 and AlB 2 . This agrees with the previous experimental results. The present work shows that the edge-to-edge matching model has the potential to be a powerful tool in discovering new and more powerful grain refiners for Al alloys

  3. Damage to adenosine-triphosphate induced by monochromatic X rays around the K shell absorption edge of phosphorus

    International Nuclear Information System (INIS)

    Watanabe, Ritsuko; Ishikawa, Mitsuo; Takakura, Kaoru; Kobayashi, Katsumi

    1992-01-01

    Adenosine-triphosphate (ATP) is well known to have an important role in the energy metabolism in biological systems. The purpose of this study is to clarify the radiation effects on ATP specific to inner shell ionization. ATP, in concentrated aqueous solution, was irradiated with monochromatic X rays having energies of the resonance absorption peak of the phosphorus K shell, 2.153 keV, and slightly below and above the peak, 2.145 keV and 2.160 keV, selected from synchrotron radiation. Adenine, Adenosine 5'monophosphate (5'AMP) and Adenosine 5'diphosphate (5'ADP) were obtained as radioproducts by the method of high performance liquid chromatography (HPLC). G values of these products were calculated on the basis of the absorbed energy. When the ATP solution of 0.282 mol/l was irradiated with 2.160 keV X rays which can ionize the K shell of phosphorus, G values of Adenine, 5'AMP and 5'ADP were estimated to be 1.4, 0.40 and 0.46, respectively. These values were respectively 1.3, 2.9 and 3.8 times higher than those obtained upon irradiation with 2.146 keV X rays which cannot ionize the K shell of phosphorus. These energy dependent enhancements may reflect the difference in energy absorption processes, especially the Auger cascade in phosphorus may be suspected to play an important role in these enhancements

  4. In situ X-ray near-edge absorption spectroscopy investigation of the state of charge of all-vanadium redox flow batteries.

    Science.gov (United States)

    Jia, Chuankun; Liu, Qi; Sun, Cheng-Jun; Yang, Fan; Ren, Yang; Heald, Steve M; Liu, Yadong; Li, Zhe-Fei; Lu, Wenquan; Xie, Jian

    2014-10-22

    Synchrotron-based in situ X-ray near-edge absorption spectroscopy (XANES) has been used to study the valence state evolution of the vanadium ion for both the catholyte and anolyte in all-vanadium redox flow batteries (VRB) under realistic cycling conditions. The results indicate that, when using the widely used charge-discharge profile during the first charge process (charging the VRB cell to 1.65 V under a constant current mode), the vanadium ion valence did not reach V(V) in the catholyte and did not reach V(II) in the anolyte. Consequently, the state of charge (SOC) for the VRB cell was only 82%, far below the desired 100% SOC. Thus, such incompletely charged mix electrolytes results in not only wasting the electrolytes but also decreasing the cell performance in the following cycles. On the basis of our study, we proposed a new charge-discharge profile (first charged at a constant current mode up to 1.65 V and then continuously charged at a constant voltage mode until the capacity was close to the theoretical value) for the first charge process that achieved 100% SOC after the initial charge process. Utilizing this new charge-discharge profile, the theoretical charge capacity and the full utilization of electrolytes has been achieved, thus having a significant impact on the cost reduction of the electrolytes in VRB.

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

    International Nuclear Information System (INIS)

    Tan, G.O.

    1993-06-01

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

  6. A laboratory-based hard x-ray monochromator for high-resolution x-ray emission spectroscopy and x-ray absorption near edge structure measurements

    Energy Technology Data Exchange (ETDEWEB)

    Seidler, G. T., E-mail: seidler@uw.edu; Mortensen, D. R.; Remesnik, A. J.; Pacold, J. I.; Ball, N. A.; Barry, N.; Styczinski, M.; Hoidn, O. R. [Physics Department, University of Washington, Seattle, Washington 98195-1560 (United States)

    2014-11-15

    We report the development of a laboratory-based Rowland-circle monochromator that incorporates a low power x-ray (bremsstrahlung) tube source, a spherically bent crystal analyzer, and an energy-resolving solid-state detector. This relatively inexpensive, introductory level instrument achieves 1-eV energy resolution for photon energies of ∼5 keV to ∼10 keV while also demonstrating a net efficiency previously seen only in laboratory monochromators having much coarser energy resolution. Despite the use of only a compact, air-cooled 10 W x-ray tube, we find count rates for nonresonant x-ray emission spectroscopy comparable to those achieved at monochromatized spectroscopy beamlines at synchrotron light sources. For x-ray absorption near edge structure, the monochromatized flux is small (due to the use of a low-powered x-ray generator) but still useful for routine transmission-mode studies of concentrated samples. These results indicate that upgrading to a standard commercial high-power line-focused x-ray tube or rotating anode x-ray generator would result in monochromatized fluxes of order 10{sup 6}–10{sup 7} photons/s with no loss in energy resolution. This work establishes core technical capabilities for a rejuvenation of laboratory-based hard x-ray spectroscopies that could have special relevance for contemporary research on catalytic or electrical energy storage systems using transition-metal, lanthanide, or noble-metal active species.

  7. Structural evolution of fluorinated graphene upon molten-alkali treatment probed by X-ray absorption near-edge structure spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Xianqing, E-mail: lxq@gxu.edu.cn [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Pan, Deyou; Lao, Ming; Liang, Shuiying [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Huang, Dan; Zhou, Wenzheng; Guo, Jin [Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China)

    2017-05-15

    Highlights: • Structural evolution of FG during the molten-alkali treatment was studied. • XANES results reveal the transformation of surface functional groups of HFG. • The local and electronic structure of HFG can be tuned by varying the alkali-FG ratio. - Abstract: The structural evolution of fluorinated graphene (FG) nanosheets upon molten-alkali treatment has been systematically investigated utilizing X-ray absorption near-edge structure (XANES) spectroscopy. It is found that the hydroxyl groups can progressively displace fluorine atoms to form covalent bonds to the graphene sheets under designed molten-alkali condition. The XANES spectra also reveal the formation of epoxide groups through intramolecular dehydration of neighbouring hydroxyl groups after substitution reaction. At high alkali-FG weight ratio, the restoration of the π-conjugated structure in graphene sheets can be observed due to the gradual decomposition of epoxide groups. Our experimental results indicate that the surface chemistry and electronic structure of hydroxyl-functionalized FG (HFG) can be readily tuned by varying the ratio of reactants.

  8. Assignment of near-edge x-ray absorption fine structure spectra of metalloporphyrins by means of time-dependent density-functional calculations

    International Nuclear Information System (INIS)

    Schmidt, Norman; Fink, Rainer; Hieringer, Wolfgang

    2010-01-01

    The C 1s and N 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of three prototype tetraphenyl porphyrin (TPP) molecules are discussed in the framework of a combined experimental and theoretical study. We employ time-dependent density-functional theory (TDDFT) to compute the NEXAFS spectra of the open- and closed-shell metalloporphyrins CoTPP and ZnTPP as well as the free-base 2HTPP in realistic nonplanar conformations. Using Becke's well-known half-and-half hybrid functional, the computed core excitation spectra are mostly in good agreement with the experimental data in the low-energy region below the appropriate ionization threshold. To make these calculations feasible, we apply a new, simple scheme based on TDDFT using a modified single-particle input spectrum. This scheme is very easy to implement in standard codes and allows one to compute core excitation spectra at a similar cost as ordinary UV/vis spectra even for larger molecules. We employ these calculations for a detailed assignment of the NEXAFS spectra including subtle shifts in certain peaks of the N 1s spectra, which depend on the central coordination of the TPP ligand. We furthermore assign the observed NEXAFS resonances to the individual molecular subunits of the investigated TPP molecules.

  9. Studies of fat absorption using radioiodinated triolein

    International Nuclear Information System (INIS)

    Nelp, W.B.

    1976-01-01

    Fat absorption has been classically measured by comparing the fat content of the faeces with that of the diet, using chemical assay methods, and this procedure is usually assumed to give the ''right'' answer which the results of other methods should approach. The care and expense associated with the balance method, however, have led to the development of other methods, notably the use of 131 I-triolein as a tracer for fat. This technique has often given poor agreement with the chemical method, and the possible reasons therefore include: errors in the balance method, radiochemical impurity of the 131 I-triolein preparation, and faulty technique with 131 I-triolein. This paper reviews these sources of error and their importance in a series of tests on 44 subjects. It is concluded that the 131 I-triolein test does have diagnostic utility, and further studies may show this to be greatest when faecal excretion of 131 I activity is compared with that of a simultaneously administered non-absorbable marker such as 131 Ba. (author)

  10. 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.

  11. 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

  12. A Study of CO2 Absorption Using Jet Bubble Column

    Directory of Open Access Journals (Sweden)

    Setiadi Setiadi

    2010-10-01

    Full Text Available The phenomenon of plunging jet gas-liquid contact occurs quite often in nature, it's momentum carries small air bubbles with it into the reactor medium. The momentum of the liquid stream can be sufficient to carry small bubbles completely to the bottom of the vessel. A stream of liquid falling toward a level surface of that liquid will pull the surrounding air along with it. It will indent the surface of the liquid to form a trumpet-like shape. If the velocity of the stream is high enough, air bubbles will be pulled down, i.e. entrained into the liquid. This happens for two main reasons: air that is trapped between the edge of the falling stream and the trumpet-shaped surface profile and is carried below the surface. This study investigates the potential of a vertical liquid plunging jet for a pollutant contained gas absorption technique. The absorber consists of liquid jet and gas bubble dispersed phase. The effects of operating variables such as liquid flowrate, nozzle diameter, separator pressure, etc. on gas entrainment and holdup were investigated. The mass transfer of the system is governed by the hydrodynamics of the system. Therefore a clear and precise understanding of the above is necessary : to characterize liquid and gas flow within the system, 2. Variation in velocity of the jet with the use of different nozzle diameters and flow rates, 3. Relationship between the liquid and entrained airflow rate, 4. Gas entrainment rate and gas void fraction.

  13. 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

  14. 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.

  15. A method optimization study for atomic absorption ...

    African Journals Online (AJOL)

    Sadia Ata

    2014-04-24

    Apr 24, 2014 ... Manufacturer brand Win 2.1 software was used for data inte- gration and processing. ... reagents and analyst) is suitable for the intended application. The % relative standard deviation for absorbance ... flame atomic absorption spectrometry. Table 2 Linearity data for analysis of zinc in insulin using AAS.

  16. A cylindrical furnace for absorption spectral studies

    Indian Academy of Sciences (India)

    A cylindrical furnace with three heating zones, capable of providing a temperature of 1100°C, has been fabricated to enable recording of absorption spectra of high temperature species. The temperature of the furnace can be controlled to ± 1°C of the set temperature. The salient feature of this furnace is that the material ...

  17. Investigation of the electronic structure of high-temperature superconductors and related transition metal oxides with near-edge x-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Gerhold, S.

    2001-01-01

    The unoccupied electronic structure and its orbital character has been studied with polarization-dependent near-edge x-ray absorption spectroscopy (NEXAFS) for selected high-temperature superconductors (HTSC) and related transition metal oxides. Although YBa 2 Cu 3 O 7-δ (Y-123) is arguably the best-investigated HTSC a conclusive NEXAFS study on how partial substitution of Cu by other transition metals affects the electronic structure has sorely been missing. The study presented here on a series of well characterized YBa 2 Cu 3-x Fe x O y single crystals shows that the cause for T c suppression is not at all magnetic pair breaking but charge carrier depletion, primarily in the chains; effects from disorder cannot be excluded. Annealing at high oxygen pressure increases along with oxygen content both the hole concentration and T c . Fe 3d-O 2p-derived states contribute prominently to the spectra for all polarizations a few eV above E F . Iron prefers a trivalent state in Y-123; upon reduction a spin transition can be observed. As YBa 2 Cu 3-x Fe x O y single crystals cannot be detwinned it is very difficult to distinguish between contributions from planes and chains to the spectra. In this situation thin films grown with a reduced degree of twinning ('twin-poor') allow more detailed investigations. An extended self-absorption correction was developed for fluorescence yield NEXAFS on epitactical HTSC thin films. Its application to twin-poor Y-123 thin films demonstrates that (apart from the effect of residual twins) the spectral information is equivalent to that of detwinned single crystals for a range of optimum film thicknesses, and this in turn allows to augment the NEXAFS study of YBa 2 Cu 3-x Fe x O y with spectra for corresponding twin-poor thin films. The system Ca 2-x (Sr,La) x RuO 4 is structurally related to the HTSCs; the development of its unoccupied electronic structure with x was investigated in this work, with emphasis on the metal

  18. X-ray absorption study of the electronic structure of Mn-doped amorphous Si

    Energy Technology Data Exchange (ETDEWEB)

    Arenholz, Elke; Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.; Piamonteze, C.; Arenholz, E.

    2008-03-08

    The electronic structure of Mn in amorphous Si (a-Mn{sub x}Si{sub 1?x}) is studied by X-ray absorption spectroscopy at the Mn L{sub 3,2} edges for x = 0.005-0.18. Except the x = 0.005 sample, which shows a slight signature of Mn{sup 2+} atomic multiplets associated with a local Mn moment, all samples have broad and featureless L{sub 3,2} absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad X-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically-doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested.

  19. A measuring method of photo-electric cross section. Application to high-Z elements between 40 keV and 220 keV. Measurement of K absorption edge energy of Au, Th, U, Pu

    International Nuclear Information System (INIS)

    Chartier, J.-L.

    1977-09-01

    This study first describes a bent crystal monochromator developed for the production of monochromatic beams in a continuous energy range from 30 to 250 keV; it is completed by a metrological application of the device (determination of K absorption edge energy of Au, Th, U, Pu). A method and the associated experimental procedure were developed to measure the photo-electric cross section for high-Z elements; the results are presented with a relative uncertainty ranging between 3 and 6%. Finally, the experimental values are compared with values calculated from theories using self-consistent potential models [fr

  20. Numerical study of surface plasmon enhanced nonlinear absorption and refraction.

    Science.gov (United States)

    Kohlgraf-Owens, Dana C; Kik, Pieter G

    2008-07-07

    Maxwell Garnett effective medium theory is used to study the influence of silver nanoparticle induced field enhancement on the nonlinear response of a Kerr-type nonlinear host. We show that the composite nonlinear absorption coefficient, beta(c), can be enhanced relative to the host nonlinear absorption coefficient near the surface plasmon resonance of silver nanoparticles. This enhancement is not due to a resonant enhancement of the host nonlinear absorption, but rather due to a phase shifted enhancement of the host nonlinear refractive response. The enhancement occurs at the expense of introducing linear absorption, alpha(c), which leads to an overall reduced figure of merit beta(c)/alpha(c) for nonlinear absorption. For thin (< 1 microm) composites, the use of surface plasmons is found to result in an increased nonlinear absorption response compared to that of the host material.

  1. Fundamental absorption edge in CuIn5Se8 and CuGa3Se5 single crystals

    International Nuclear Information System (INIS)

    Leon, M.; Merino, J.M.; Levcenko, S.; Nateprov, A.; Tezlevan, V.; Arushanov, E.; Syrbu, N.N.

    2006-01-01

    Optical absorption spectra of CuIn 5 Se 8 and CuGa 3 Se 5 single crystals have been investigated. The energy gap E g for CuIn 5 Se 8 (CuGa 3 Se 5 ) was found to be varied from 1.27(1.79) to 1.21(1.71) eV in the temperature range between 10 and 300 K. The temperature dependence of E g was studied by means of the Einstein model and the Paessler model. The Einstein temperature {222(267)K}, the Debye temperature {310(380)K}, a dimensionless constant related to the electron-phonon coupling {1.62(2.65)} as well as an effective energy {20 (24) meV} and a cut-off phonon energy {35(39) meV} have been estimated for CuIn 5 Se 8 (CuGa 3 Se 5 ). It was also found that the major contribution of phonons to the shift of E g versus temperature in CuIn 5 Se 8 (CuGa 3 Se 5 ) is mainly from optical phonons. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  2. Absorption anisotropy studies of polymethine dyes

    International Nuclear Information System (INIS)

    Lepkowicz, Richard S.; Cirloganu, Claudiu M.; Przhonska, Olga V.; Hagan, David J.; Van Stryland, Eric W.; Bondar, Mikhail V.; Slominsky, Yuriy L.; Kachkovski, Alexei D.; Mayboroda, Elena I.

    2004-01-01

    The determination of the spectral position of the excited states and orientation of the transition dipole moments of polymethine molecules is experimentally measured using two methods: the steady-state fluorescence anisotropy method, and a two-color polarization-resolved pump-probe method. This novel use of the pump-probe method is described in detail and a comparison to the fluorescence method is given. Quantum-chemical modeling on the effects of the bridge structure in the polymethine chromophore on the linear absorption spectrum is also discussed

  3. Microwave absorption studies of MgB 2 superconductor

    Indian Academy of Sciences (India)

    Microwave absorption studies have been carried out on MgB2 superconductor using a standard X-band EPR spectrometer. The modulated low-field microwave absorption signals recorded for polycrystalline (grain size ∼ 10m) samples suggested the absence of weak-link character. The field dependent direct microwave ...

  4. Speciation of copper and zinc in size-fractionated atmospheric particulate matter using total reflection mode X-ray absorption near-edge structure spectrometry

    International Nuclear Information System (INIS)

    Osan, Janos; Meirer, Florian; Groma, Veronika; Toeroek, Szabina; Ingerle, Dieter; Streli, Christina; Pepponi, Giancarlo

    2010-01-01

    The health effects of aerosol depend on the size distribution and the chemical composition of the particles. Heavy metals of anthropogenic origin are bound to the fine aerosol fraction (PM 2.5 ). The composition and speciation of aerosol particles can be variable in time, due to the time-dependence of anthropogenic sources as well as meteorological conditions. Synchrotron-radiation total reflection X-ray fluorescence (SR-TXRF) provides very high sensitivity for characterization of atmospheric particulate matter. X-ray absorption near-edge structure (XANES) spectrometry in conjunction with TXRF detection can deliver speciation information on heavy metals in aerosol particles collected directly on the reflector surface. The suitability of TXRF-XANES for copper and zinc speciation in size-fractionated atmospheric particulate matter from a short sampling period is presented. For high size resolution analysis, atmospheric aerosol particles were collected at different urban and rural locations using a 7-stage May cascade impactor having adapted for sampling on Si wafers. The thin stripe geometry formed by the particulate matter deposited on the May-impactor plates is ideally suited to SR-TXRF. Capabilities of the combination of the May-impactor sampling and TXRF-XANES measurements at HASYLAB Beamline L to Cu and Zn speciation in size-fractionated atmospheric particulate matter are demonstrated. Information on Cu and Zn speciation could be performed for elemental concentrations as low as 140 pg/m 3 . The Cu and Zn speciation in the different size fraction was found to be very distinctive for samples of different origin. Zn and Cu chemical state typical for soils was detected only in the largest particles studied (2-4 μm fraction). The fine particles, however, contained the metals of interest in the sulfate and nitrate forms.

  5. Characterization of local chemistry and disorder in synthetic and natural α-Al2O3 materials by X-ray absorption near edge structure spectroscopy

    International Nuclear Information System (INIS)

    Mottana, A.; Murata, T.

    1997-11-01

    X-ray absorption fine spectra at the Al K-edge were measured experimentally on and calculated theoretically via the multiple-scattering formalism for a chemically pure and physically perfect synthetic α-Al 2 O 3 (α-alumina), a natural 'ruby/sapphire' (corundum) and a series of artificial 'corundum' produced for technical purposes and used as geochemical standards. The Al K-edge spectra differ despite of the identical coordination (short-range arrangement) assumed by O around Al, and vary slightly in relation to the slightly different chemistries of the materials (substitutional defects) as well as on account of the location taken by foreign atoms in the structural lattices (positional defects). A quantitative treatment of the observed changes is made in terms of short-range modification of the coordination polyhedron and of medium- to long-range modifications in the overall structure; both of them induced by substitutions. In some technical 'corundums', the impurities of admixed 'β-alumina', where Al is both in four- and six-fold coordination, produce another small but detectable effect on Al K-edges. Therefore, XAFS spectroscopy proves its potentials for both measuring a light element such as Al, and detecting minor coordination changes and substitutions (ca. 1∼3 wt.% as oxide) of the absorber by dilute other atoms, at least under favorable conditions as those occurring in this system are

  6. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael; Maganas, Dimitrios; Neese, Frank [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); DeBeer, Serena [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)

    2013-05-28

    A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S Prime = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with M{sub S}= S, Horizontal-Ellipsis , -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory/ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row

  7. Studies of selected transuranium and lanthanide tri-iodides under pressure using absorption spectrophotometry

    International Nuclear Information System (INIS)

    Haire, R.G.; Young, J.P.; Peterson, J.R.; Tennessee Univ., Knoxville; Benedict, U.

    1987-01-01

    The anhydrous tri-iodides of plutonium, americium and curium under pressure have been investigated using absorption spectrophotometry. These initial studies on plutonium and curium tri-iodides together with the published data for americium tri-iodide show that the rhombohedral form of these compounds (BiI 3 -type structure) can be converted to the orthorhombic form (PuBr 3 -type structure) by applying pressure at room temperature. Absorption spectrophotometry can often differentiate between two crystallographic forms of a material and has been used in the present high-pressure studies to monitor the effects of pressure on the tri-iodides. A complication in these studies of the tri-iodides is a significant shift of their absorption edges with pressure from the near UV to the visible spectral region. With curium tri-iodide this shift causes interference with the major f-f absorption peaks and precludes identification by absorption spectrophotometry of the high pressure phase of CmI 3 . (orig.)

  8. 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.

  9. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites.

    Science.gov (United States)

    Gandhiraman, Ram P; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E; Chen, Bin; Meyyappan, M

    2014-08-14

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide-metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp 2 -derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network.

  10. Active probing of plasma edge turbulence and feedback studies on the Texas Experimental Tokamak (TEXT)

    International Nuclear Information System (INIS)

    Uckan, T.; Richards, B.; Bengtson, R.D.

    1993-01-01

    The edge fluctuations play a critical role in the overall tokamak confinement. Experiments on TEXT show that electrostatic fluctuations in the edge plasma are the dominant mechanism for energy and particle transport. The basic mechanisms responsible for the edge turbulence are the subject of ongoing research in fusion devices. To understand the driving forces responsible for edge fluctuations, a novel experiment is underway on TEXT to actively modify the turbulence at the plasma edge by launching waves using electrostatic probes in the shadow of the limiter. This technique permits active probing of the spectral properties of the edge turbulence. This new approach to the study of edge fluctuations can provide more insight into the basic dynamics of the turbulence and may, in turn, enable detailed comparison with the theory. These experiments, which rely on the use of oscillating electric fields at the plasma edge, complement edge fluctuation control studies that are presently limited to the use of applied dc biasing to influence the edge electric field profile. These experiments have been extended to control of the edge plasma fluctuation level, using feedback to explore its effects on the edge turbulence characteristics as well as on confinement. (author) 8 refs., 7 figs

  11. Active probing of plasma edge turbulence and feedback studies on the Texas Experimental Tokamak (TEXT)

    International Nuclear Information System (INIS)

    Uckan, T.; Carreras, B.A.; Richards, B.; Bengtson, R.D.; Crockett, D.B.; Gentle, K.W.; Li, G.X.; Hurwitz, P.D.; Rowan, W.L.; Tsui, H.Y.W.; Wootton, A.J.

    1993-01-01

    The edge fluctuations play a critical role in the overall tokamak confinement. Experiments on TEXT show that electrostatic fluctuations in the edge plasma are the dominant mechanism for energy and particle transport. The basic mechanisms responsible for the edge turbulence are the subject of ongoing research in fusion devices. To understand the driving forces responsible for edge fluctuations, a novel experiment is underway on TEXT to actively modify the turbulence at the plasma edge by launching waves using electrostatic probes in the shadow of the limiter. This technique permits active probing of the spectral properties of the edge turbulence. This new approach to the study of edge fluctuations can provide more insight into the basic dynamics of the turbulence and may, in turn, enable detailed comparison with the theory. These experiments, which rely on the use of oscillating electric fields at the plasma edge, complement edge fluctuation control studies that are presently limited to the use of applied dc biasing to influence the edge electric field profile. These experiments have been extended to control of the edge plasma fluctuation level, using feedback to explore its effects on the edge turbulence characteristics as well as on confinement

  12. M-edge x-ray absorption spectroscopy: A new tool for dilute mixed-valent materials

    International Nuclear Information System (INIS)

    Kaindl, G.; Brewer, W.D.; Kalkowski, G.; Holtzberg, F.

    1983-01-01

    The valence of Tm compounds is derived from M/sub V/ x-ray absorption spectra recorded by total electron yield under ultra-high-vacuum conditions. For mixed-valent systems the spectra are superpositions of Tm 3+ (three lines) and Tm 2+ (one line) components, providing accurate mean valence values even in highly dilute systems, such as Tm/sub x/Y/sub 1-x/Se, which agree well with those from lattice constant systematics. A surface valence change on TmS(100) is identified as an initial-state effect

  13. Optical Absorption and Electron Injection of 4-(Cyanomethylbenzoic Acid Based Dyes: A DFT Study

    Directory of Open Access Journals (Sweden)

    Yuehua Zhang

    2015-01-01

    Full Text Available Density functional theory (DFT and time-dependent density functional theory (TDDFT calculations were carried out to study the ground state geometries, electronic structures, and absorption spectra of 4-(cyanomethylbenzoic acid based dyes (AG1 and AG2 used for dye-sensitized solar cells (DSSCs. The excited states properties and the thermodynamical parameters of electron injection were studied. The results showed that (a two dyes have uncoplanar structures along the donor unit and conjugated bridge space, (b two sensitizers exhibited intense absorption in the UV-Vis region, and (c the excited state oxidation potential was higher than the conduction band edge of TiO2 photoanode. As a result, a solar cell based on the 4-(cyanomethylbenzoic acid based dyes exhibited well photovoltaic performance. Furthermore, nine dyes were designed on the basis of AG1 and AG2 to improve optical response and electron injection.

  14. [Effect of Long-Term Fertilization on Organic Nitrogen Functional Groups in Black Soil as Revealed by Synchrotron-Based X-Ray Absorption Near-Edge Structure Spectroscopy].

    Science.gov (United States)

    Li, Hui; Gao, Qiang; Wang, Shuai; Zhu, Ping; Zhang, Jin-jing; Zhao, Yi-dong

    2015-07-01

    Nitrogen (N) is a common limiting nutrient in crop production. The N content of soil has been used as an important soil fertility index. Organic N is the major form of N in soil. In most agricultural surface soils, more than 90% of total N occurs in organic forms. Therefore, understanding the compositional characteristics of soil organic N functional groups can provide the scientific basis for formulating the reasonable farmland management strategies. Synchrotron radiation soft X-ray absorption near-edge structure (N K-edge XANES) spectroscopy is the most powerful tool to characterize in situ organic N functional groups compositions in soil. However, to our most knowledge, no studies have been conducted to examine the organic N functional groups compositions of soil using N K-edge XANES spectroscopy under long-term fertilization practices. Based on a long-term field experiment (started in 1990) in a black soil (Gongzhuling, Northeast China), we investigated the differences in organic N functional groups compositions in bulk soil and clay-size soil fraction among fertilization patterns using synchrotron-based N K- edge XANES spectroscopy. Composite soil samples (0-20 cm) were collected in 2008. The present study included six treatments: farmland fallow (FALL), no-fertilization control (CK), chemical nitrogen, phosphorus, and potassium fertilization (NPK), NPK in combination with organic manure (NPKM), 1.5 times of NPKM (1.5 NPKM), and NPK in combination with maize straw (NPKS). The results showed that N K-edge XANES spectra of all the treatments under study exhibited characteristic absorption peaks in the ranges of 401.2-401.6 and 402.7-403.1 eV, which were assigned as amides/amine-N and pyrrole-N, respectively. These characteristic absorption peaks were more obvious in clay-size soil fraction than in bulk soil. The results obtained from the semi-quantitative analysis of N K-edge XANES spectra indicated that the relative proportion of amides/amine-N was the highest

  15. X-ray absorption and emission studies of diamond nanoparticles

    International Nuclear Information System (INIS)

    Van Buuren, T.; Willey, T.; Raty, J.Y.; Galli, G.; Terminello, L.J.; Bostedt, C.

    2004-01-01

    Full text: A new family of carbon nanopaticles produced in detonations, are found to have a core of diamond with a coating fullerene- like carbon. X-ray diffraction and TEM show that the nanodiamond powder is crystalline and approximately 4 nm in diameter. These nano-sized diamonds do not display the characteristic property of other group IV nanoparticles: a strong widening of the energy gap between the conduction and valence bands owing to quantum-confinement effects. For nano-sized diamond with a size distribution of 4 nm, there is no shift of the band energies relative to bulk diamond. Although the C1s core exciton feature clearly observed in the K-edge absorption edge of bulk diamond is shifted and broadening due to increased overlap of the excited electron with the core holein the small particle. Also the depth of the second gap in the nanodiamond spectra is shallower than that of bulk diamond. A feature at lower energy in the X-ray absorption spectra that is not present in the bulk samples is consistent with a fullerene like surface reconstruction. By exposing the diamond nanoparticles to an Argon /Oxygen plasma then annealing in a UHV environment we have obtained a hydrogen free surface. The nanodiamonds processed in this manner show an increase fullerene type contribution in the carbon x-ray absorption pre-edge. High spatial resolution EELS measurements of the empty states of a single nanodiamond particle acquired with a ld emission TEM also show the core of the particle is bulk diamond like where as the surface has a fullerene like structure. Standard density-functional calculations on clusters in which the diamond surface bonds are terminated with hydrogen atoms, show that the bandgap begins to increase above the bulk value only for clusters smaller than 1 nm. Surface hydrogen atoms are found to be about as close as they do in molecular hydrogen and can escape as H 2 , forcing the respective carbon atoms to rearrange. A series of such rearrangements can

  16. Investigation of Pb species in soils, celery and duckweed by synchrotron radiation X-ray absorption near-edge structure spectrometry

    Science.gov (United States)

    Luo, Liqiang; Shen, Yating; Liu, Jian; Zeng, Yuan

    2016-08-01

    The Pb species play a key role in its translocation in biogeochemical cycles. Soils, sediments and plants were collected from farmlands around Pb mines, and the Pb species in them was identified by X-ray absorption near-edge structure spectrometry. In soils, Pb5(PO4)3Cl and Pb3(PO4)2 were detected, and in sediments, Pb-fulvic acids (FAs) complex was identified. A Pb complex with FA fragments was also detected in celery samples. We found that (1) different Pb species were present in soils and sediments; (2) the Pb species in celery, which was grown in sediments, was different from the species present in duckweed, which grew in water; and (3) a Pb-FA-like compound was present in celery roots. The newly identified Pb species, the Pb-FA-like compound, may play a key role in Pb tolerance and translocation within plants.

  17. Absorption heat cycles. An experimental and theoretical study

    International Nuclear Information System (INIS)

    Abrahamsson, K.

    1993-09-01

    A flow sheeting programme, SHPUMP, was developed for simulating different absorption heat cycles. The programme consists of ten different modules which allow the user to construct his own absorption cycle. The ten modules configurate evaporators, absorbers, generators, rectifiers, condensers, solution heat exchangers, pumps, valves, mixers and splitters. Seven basic and well established absorption cycles are available in the configuration data base of the programme. A new Carnot model is proposed heat cycles. Together with exergy analysis, general equations for the Carnot coefficient of performance and equations for thermodynamic efficiency, exergetic efficiency and exergy index, are derived, discussed and compared for both absorption heat pumps and absorption heat transformers. Utilizing SHPUMP, simulation results are presented for different configurations where absorption heat cycles are suggested to be incorporated in three different unit operations within both pulp and paper and oleochemical industries. One of the application studies reveled that an absorption heat transformer incorporated with an evaporation plant in a major pulp and paper industry, would save 18% of the total prime energy consumption in one of the evaporation plants. It was also concluded that installing an absorption heat pump in a paper drying plant would result in steam savings equivalent to 12 MW. An experimental absorption heat transformer unit operating with self-circulation has been modified and thoroughly tested. A reference heat transformer plant has been designed and installed in a major pulp and paper mill where it is directly incorporated with one of the evaporation plants. Preliminary plant operation data are presented. 72 refs, 63 figs, 33 tabs

  18. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

    Science.gov (United States)

    Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

    2016-01-12

    Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-08-01

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

  20. Core and edge toroidal rotation study in JT-60U

    International Nuclear Information System (INIS)

    Yoshida, M.; Sakamoto, Y.; Honda, M.; Kamada, Y.; Takenaga, H.; Oyama, N.; Urano, H.

    2012-01-01

    The relation between toroidal rotation velocities (V t ) in the core and edge regions is investigated in H-mode plasmas with a small external torque input from the viewpoint of momentum transport. The toroidal rotation velocity in the core region (core-V t ) gradually varies on a timescale of ∼20 ms after a rapid change in the toroidal rotation velocity in the edge region (edge-V t ) at the L–H transition. This timescale of ∼20 ms is consistent with a transport timescale using the momentum diffusivity (χ φ ) and convection velocity (V conv ). In steady state, a linear correlation between the core- and edge-V t is observed in H-mode plasmas when the ion pressure gradient (∇P i ) is small. This relation between core- and edge-V t is also explained by momentum transport. The V t profiles with a large ∇P i are reproduced in the core region of r/a ∼ 0.2–0.7 by adopting a residual stress term 'Π res = α k χ φ ∇P i ' proposed in this paper. Here r/a is the normalized plasma radius and α k1 is a radial constant. Using this formula, V t profiles are reproduced over a wide range of plasma conditions. Parameter dependences of the edge-V t are investigated at a constant ripple loss power, ripple amplitude and plasma current. A reduction in the CTR-rotation is observed with decreasing ion temperature gradient (∇T i ). Here CTR refers to the counter-I P direction.

  1. Study of the round edge disk hole's effects on the frequency and wakefield in disc structure

    International Nuclear Information System (INIS)

    Wang Lanfa; Hou Mi; Zhang Chuang

    2001-01-01

    The effects of the round edge beam hole on the frequency and wake field are studied using variational method, which allows for rounded iris disk hole without any approximation in shape treatment. The frequencies and wake fields of accelerating mode and dipole mode are studied for different edge radius cases, including the flat edge shape that is often used to approximately represent the actual structure geometry. The edge hole shape has weak effect on the frequency, but strong effect on the wakefield. The study shows that the amounts of wake fields are not precise enough with the assumption of the flat edge beam hole as of round edge. The shape assumption brings loss factor 15% err for the most dangerous EH 16 mode

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

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  3. Self-consistent study of localization near band edges

    International Nuclear Information System (INIS)

    Brezini, A.

    1982-02-01

    The localization criterion of Kumar et al. is applied to the case of a uniform distribution for the site energies and particular attention is given to the behaviour of the mobility edge in the limit of weak disorder. The results are similar to other theories but disagree with that of Abou-Chacra and Thouless in the limit of zero disorder. (author)

  4. A flexible gas flow reaction cell for in situ x-ray absorption spectroscopy studies

    Energy Technology Data Exchange (ETDEWEB)

    Kroner, Anna B., E-mail: anna.kroner@diamond.ac.uk; Gilbert, Martin; Duller, Graham; Cahill, Leo; Leicester, Peter; Woolliscroft, Richard; Shotton, Elizabeth J. [Diamond Light Source Ltd., Diamond House, Harwell Science and Innovation Campus, Chilton, Oxfordshire, OX110DE (United Kingdom); Mohammed, Khaled M. H. [UK Catalysis Hub, Research Complex at Harwell, Rutherford Appleton Laboratory, Chilton, Oxfordshire, OX110FA (United Kingdom); School of Chemistry, University of Southampton, Southampton, SO17 1BJ (United Kingdom)

    2016-07-27

    A capillary-based sample environment with hot air blower and integrated gas system was developed at Diamond to conduct X-ray absorption spectroscopy (XAS) studies of materials under time-resolved, in situ conditions. The use of a hot air blower, operating in the temperature range of 298-1173 K, allows introduction of other techniques e.g. X-ray diffraction (XRD), Raman spectroscopy for combined techniques studies. The flexibility to use either quartz or Kapton capillaries allows users to perform XAS measurement at energies as low as 5600 eV. To demonstrate performance, time-resolved, in situ XAS results of Rh catalysts during the process of activation (Rh K-edge, Ce L{sub 3}-edge and Cr K-edge) and the study of mixed oxide membrane (La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ}) under various partial oxygen pressure conditions are described.

  5. Realistic edge field model code REFC for designing and study of isochronous cyclotron

    International Nuclear Information System (INIS)

    Ismail, M.

    1989-01-01

    The focussing properties and the requirements for isochronism in cyclotron magnet configuration are well-known in hard edge field model. The fact that they quite often change considerably in realistic field can be attributed mainly to the influence of the edge field. A solution to this problem requires a field model which allows a simple construction of equilibrium orbit and yield simple formulae. This can be achieved by using a fitted realistic edge field (Hudson et al 1975) in the region of the pole edge and such a field model is therefore called a realistic edge field model. A code REFC based on realistic edge field model has been developed to design the cyclotron sectors and the code FIELDER has been used to study the beam properties. In this report REFC code has been described along with some relevant explaination of the FIELDER code. (author). 11 refs., 6 figs

  6. X-ray absorption spectroscopy and high-energy XRD study of the local environment of copper in antibacterial copper-releasing degradable phosphate glasses

    OpenAIRE

    Pickup, David M.; Ahmed, Ifty; Fitzgerald, Victoria; Moss, Rob M.; Wetherall, Karen; Knowles, Jonathan C.; Smith, Mark E.; Newport, Robert J.

    2006-01-01

    Phosphate-based glasses of the general formula Na2O-CaO-P2O5 are degradable in an aqueous environment, and therefore can act as antibacterial materials through the inclusion of ions such as copper. In this study, CuO and Cu2O were added to Na2O-CaO-P2O5 glasses (1-20 mol% Cu) and X-ray absorption spectroscopy (XAS) and high-energy X-ray diffraction (HEXRD) used to probe the local environment of the copper ions. Copper K-edge X-ray absorption near-edge structure (XANES) spectra confirm the oxi...

  7. Evaluation of potential substrates for restenosis and thrombosis in overlapped versus edge-to-edge juxtaposed bioabsorbable scaffolds: Insights from a computed fluid dynamic study.

    Science.gov (United States)

    Rigatelli, Gianluca; Zuin, Marco; Dell'Avvocata, Fabio; Cardaioli, Paolo; Vassiliev, Dobrin; Ferenc, Miroslaw; Nghia, Nguyen Tuan; Nguyen, Thach; Foin, Nicholas

    2018-04-01

    Multiple BRSs and specifically the Absorb scaffold (BVS) (Abbott Vascular, Santa Clara, CA USA) have been often used to treat long diffuse coronary artery lesions. We evaluate by a computational fluid dynamic(CFD) study the impact on the intravascular fluid rheology on multiple bioabsorbable scaffolds (BRS) by standard overlapping versus edge-to-edge technique. We simulated the treatment of a real long significant coronary lesion (>70% luminal narrowing) involving the left anterior descending artery (LAD) treated with a standard or edge-to-edge technique, respectively. Simulations were performed after BVS implantations in two different conditions: 1) Edge-to-edge technique, where the scaffolds are kissed but not overlapped resulting in a luminal encroachment of 0.015cm (150μm); 2) Standard overlapping, where the scaffolds are overlapped resulting in a luminal encroachment of 0.030cm (300μm). After positioning the BVS across the long lesion, the implantation procedure was performed in-silico following all the usual procedural steps. Analysis of the wall shear stress (WSS) suggested that at the vessel wall level the WSS were lower in the overlapping zones overlapping compared to the edge-to-edge zone (∆=0.061Pa, p=0.01). At the struts level the difference between the two WSS was more striking (∆=1.065e-004 p=0.01) favouring the edge-to-edge zone. Our study suggested that at both vessel wall and scaffold struts levels, there was lowering WSS when multiple BVS were implanted with the standard overlapping technique compared to the "edge-to-edge" technique. This lower WSS might represent a substrate for restenosis, early and late BVS thrombosis, potentially explaining at least in part the recent evidences of devices poor performance. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. Study on Trailing Edge Ramp of Supercritical Airfoil

    Science.gov (United States)

    2016-03-30

    China Abstract Trailing edge flow control method could improve the performance of supercritical airfoil with a small modification on the original...stall behaviour . As a result, the non-separation ramp could increase the thickness of airfoil, which benefits wing structure and aerodynamic...direction based on the original RAE2822 airfoil, which will thicken the airfoil. The interpolation is implemented as shown in Eqn. 1. This modification could

  9. X-ray absorption study of silicon carbide thin film deposited by pulsed laser deposition

    International Nuclear Information System (INIS)

    Monaco, G.; Suman, M.; Garoli, D.; Pelizzo, M.G.; Nicolosi, P.

    2011-01-01

    Silicon carbide (SiC) is an important material for several applications ranging from electronics to Extreme UltraViolet (EUV) space optics. Crystalline cubic SiC (3C-SiC) has a wide band gap (near 2.4 eV) and it is a promising material to be used in high frequency and high energetic electronic devices. We have deposited, by means of pulsed laser deposition (PLD), different SiC films on sapphire and silicon substrates both at mild (650 o C) and at room temperature. The resulted films have different structures such as: highly oriented polycrystalline, polycrystalline and amorphous which have been studied by means of X-ray absorption spectroscopy (XAS) near the Si L 2,3 edge and the C K edge using PES (photoemission spectroscopy) for the analysis of the valence bands structure and film composition. The samples obtained by PLD have shown different spectra among the grown films, some of them showing typical 3C-SiC absorption structure, but also the presence of some Si-Si and graphitic bonds.

  10. ICRF [Ion Cyclotron Range of Frequencies] edge modeling studies

    International Nuclear Information System (INIS)

    Lehrman, I.S.; Colestock, P.L.

    1989-01-01

    Theoretical models have been developed, and are currently being refined, to explain the edge plasma-antenna interaction that occurs during ICRF heating. The periodic structure of a Faraday shielded antenna is found to result in strong ponderomotive force in the vicinity of the antenna. A fluid model, which incorporates the ponderomotive force, shows an increase in transport to the Faraday shield. A kinetic model shows that the strong antenna near fields act to increase the energy of deuterons which strike the shield, thereby increasing the sputtering of shield material. Estimates of edge impurity harmonic heating no significant heating for either in or out-of-phase antenna operation. Additionally, a particle model for electrons near the shield shows that heating results from the parallel electric field associated with the fast wave. A quasilinear model for edge electron heating is presented and compared to the particle calculations. The models' predictions are shown to be consistent with measurements of enhanced transport. 19 refs., 9 figs

  11. X-ray absorption near-edge structure of hexagonal ternary phases in sputter-deposited TiAlN films

    Energy Technology Data Exchange (ETDEWEB)

    Gago, R., E-mail: rgago@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid (Spain); Soldera, F. [Department of Materials Science and Engineering, Saarland University, D-66123 Saarbruecken (Germany); Hübner, R.; Lehmann, J.; Munnik, F. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, D-01314 Dresden (Germany); Vázquez, L. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid (Spain); Redondo-Cubero, A. [Instituto Tecnológico e Nuclear, Instituto Superior Técnico, Universidade Técnica de Lisboa, 2686-953 Sacavém (Portugal); Endrino, J.L. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid (Spain); Abengoa Research S.L., c/Energía Solar 1, Palmas Altas, E-41014 Seville (Spain)

    2013-06-05

    Highlights: ► Growth of ternary TiAlN films with nearly single-phase wurzite structure. ► Soft X-rays XANES measurements of ternary TiAlN films with wurzite structure. ► Identification of ternary TiAlN hexagonal phases by XANES. ► Correlation of XANES measurements with reported theoretical calculations. -- Abstract: Titanium aluminium nitride (TiAlN) coatings have been grown by reactive (Ar/N{sub 2}) direct-current magnetron sputtering from a Ti{sub 50}Al{sub 50} compound target. The film composition has been quantified by ion beam analysis showing the formation of Al-rich nitrides (Ti/Al ∼ 0.3), with stoichiometric films for N{sub 2} contents in the gas mixture equal or above ∼25%. The surface morphology of the films has been imaged by atomic force microscopy, showing very smooth surfaces with roughness values below 2 nm. X-ray and electron diffraction patterns reveal that the films are nanocrystalline with a wurzite (w) structure of lattice parameters larger (∼2.5%) than those for w-AlN. The lattice expansion correlates with the Ti/Al ratio in stoichiometric films, which suggests the incorporation of Ti into w-AlN. The atomic environments around Ti, Al and N sites have been extracted from the X-ray absorption near-edge structure (XANES) by recording the Ti2p, Al1s and N1s edges, respectively. The analysis of the XANES spectral lineshape and comparison with reported theoretical calculations confirm the formation of a ternary hexagonal phase.

  12. In vivo studies of biotin absorption in distal rat intestine

    International Nuclear Information System (INIS)

    Bowman, B.B.; Rosenberg, I.H.

    1986-01-01

    The authors have extended their previous studies of biotin absorption in rat proximal jejunum (PJ) to examine biotin absorptive capacity of rat ileum (I) and proximal colon (PC) using in vivo intestinal loop technique. Intestinal loops (2.5 cm) were filled with 0.3 ml of solution containing ( 3 H)-biotin and ( 14 C)-inulin in phosphate buffer, pH 6.5. Biotin absorption was determined on the basis of luminal biotin disappearance after correction for inulin recovery and averaged (pmol/loop-10 min; X +/- SEM). In related experiments, 5-cm loops of PJ, distal I (DI), or PC were filled with 0.5 ml of solution of similar composition (1.0 μM biotin). The abdominal cavity was closed and the rats were allowed to recover from anesthesia, then sacrificed 3 hr after injection. Biotin absorption averaged 96.2% (PJ), 93.2% (DI), and 25.8% (PC) of the dose administered. These differences were reflected in the radioactive biotin content of plasma and intestinal loop, kidney, and liver. These data demonstrate significant biotin absorption in rat DI and PC, as required if the intestinal microflora are to be considered as a source of biotin for the host

  13. Study of /sup 137/Cs absorption by Lemna minor

    Energy Technology Data Exchange (ETDEWEB)

    Bergamini, P G; Palmas, G; Piantelli, F; Sani, M [Siena Univ. (Italy). Ist. di Fisica; Banditelli, P; Previtera, M; Sodi, F

    1979-09-01

    Absorption of /sup 137/Cs by the floating aquatic plant Lemna minor in relation to /sup 137/Cs concentration in the water was measured under controlled conditions of temperature, pH and light. The method used to analyse the results is described. When applied to this study the method shows the influence on /sup 137/Cs absorption of (1) potassium-cesium exchange due to chemical affinity, (2) the natural colony growth of the organism and (3) the effect of light. Concentration factors were determined for these three processes.

  14. Study of 137Cs absorption by Lemna minor

    International Nuclear Information System (INIS)

    Bergamini, P.G.; Palmas, G.; Piantelli, F.; Sani, M.; Banditelli, P.; Previtera, M.; Sodi, F.

    1979-01-01

    Absorption of 137 Cs by the floating aquatic plant Lemna Minor in relation to 137 Cs concentration in the water was measured under controlled conditions of temperature, pH and light. The method used to analyse the results is described. When applied to this study the method shows the influence on 137 Cs absorption of (1) potassium-cesium exchange due to chemical affinity, (2) the natural colony growth of the organism and (3) the effect of light. Concentration factors were determined for these three processes. (author)

  15. Test and evaluation of the in-line plutonium solution K-absorption-edge densitometer at the Savannah River Plant. Phase I. Off-line testing results

    International Nuclear Information System (INIS)

    Smith, H.A. Jr.; Marks, T.; Johnson, S.S.

    1982-04-01

    An in-line, plutonium-solution, K-edge absorption densitometer has been developed at Los Alamos and is currently undergoing test and evaluation at the Savannah River Plant (SRP). The first phase of the test and evaluation (off-line instrument calibration and solution assays) was completed, and preparations are under way to install the instrument in-line, as soon as process schedules permit. Calibration data in the design concentration range of 25 to 40 g Pu/L demonstrate routine achievement of densitometry assay precisions of 0.5% or better in 40 min. Plutonium assays at concentrations outside the calibration range were investigated in an effort to define better the limitations of the instrument and address other possible assay situations at SRP. Densitometry precisions obtained for 40-min assays range from 3% to 5 g Pu/L down to 0.4% at 70 g Pu/L. At higher plutonium concentrations, the precision deteriorated due to increasing gamma-ray absorption by the solution. In addition, with actinide concentrations above approximately 100 g/L, the assay accuracy also suffered because of enhanced small-angle scattering effects in the large sample cell. Measurements on mixed U/Pu solutions demonstrated the feasibility of accurate plutonium assays with correction for the large uranium matrix contributions being determined from the measurement data. The 239 240 Pu weight fractions and 241 Pu/ 239 Pu and 238 Pu/ 239 Pu isotopic ratios can be determined. In a mockup of the in-line solution plumbing system, all assay sequences, error conditions, and interlock criteria were exercised and verified to be working properly

  16. Electronic structure of titania aerogels: Soft x-ray absorption study

    International Nuclear Information System (INIS)

    Kucheyev, S.O.; Van Buuren, T.V.; Baumann, T.F.; Satcher, J.H.; Willey, T.M.; Muelenberg, R.W.; Felter, T.E.; Poco, J.E.; Gammon, S.A.; Terminello, L.J.

    2004-01-01

    Full text: Titania aerogels - a somewhat extreme form of nanoporous TiO 2 - are open-cell solid foams derived from highly crosslinked gels by drying them under supercritical conditions. In this presentation, the unoccupied electronic states of TiO 2 aerogels are studied by soft x-ray absorption near-edge structure (XANES) spectroscopy. High-resolution O K-edge and Ti L 2,3 -edge XANES spectra of aerogels are compared with those of rutile, anatase, and unrelaxed amorphous phases of full- density TiO 2 . Results show that all the main spectroscopic features of aerogels, reflecting the element-specific partial density of empty electronic states and correlation effects, can be attributed to the absence of long-range order in stoichiometric amorphous TiO 2 . Based on these results, we discuss the effects of short- and long-range order on the electronic structure of TiO 2 . This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48

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

    International Nuclear Information System (INIS)

    Kajiyama, Hiroshi

    1988-01-01

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

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

    International Nuclear Information System (INIS)

    Ericson, Agneta.

    1989-01-01

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

  19. Electronic structure and optical properties of CdS{sub x}Se{sub 1−x} solid solution nanostructures from X-ray absorption near edge structure, X-ray excited optical luminescence, and density functional theory investigations

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, M. W. [DESY (Deutsches Elektronen-Synchrotron), FS-PEX, Notkestrasse 85, 22607 Hamburg (Germany); Yiu, Y. M., E-mail: yyiu@uwo.ca; Sham, T. K. [Department of Chemistry, University of Western Ontario, London, ON N6A5B7 (Canada); Ward, M. J. [Cornell High Energy Synchrotron Source (CHESS), Cornell University, Ithaca, NY 14853 (United States); Liu, L. [Institute of Functional Nano and Soft Materials (FUNSOM) and Soochow University-Western University Center for Synchrotron Radiation Research, Soochow University, Suzhou, Jiangsu, 215123 (China); Hu, Y. [Canadian Light Source, University of Saskatchewan, Saskatoon, SK S7N2V3 (Canada); Zapien, J. A. [Center Of Super-Diamond and Advanced Films (COSDAF) and Department of Physics and Materials Science, City University of Hong Kong, Hong Kong SAR (China); Liu, Yingkai [Institute of Physics and Electronic Information, Yunnan Normal University, Kunming, Yunnan, 650500 (China)

    2014-11-21

    The electronic structure and optical properties of a series of iso-electronic and iso-structural CdS{sub x}Se{sub 1−x} solid solution nanostructures have been investigated using X-ray absorption near edge structure, extended X-ray absorption fine structure, and X-ray excited optical luminescence at various absorption edges of Cd, S, and Se. It is found that the system exhibits compositions, with variable local structure in-between that of CdS and CdSe accompanied by tunable optical band gap between that of CdS and CdSe. Theoretical calculation using density functional theory has been carried out to elucidate the observations. It is also found that luminescence induced by X-ray excitation shows new optical channels not observed previously with laser excitation. The implications of these observations are discussed.

  20. Surface and in-depth characterization of lithium-ion battery cathodes at different cycle states using confocal micro-X-ray fluorescence-X-ray absorption near edge structure analysis

    International Nuclear Information System (INIS)

    Menzel, Magnus; Schlifke, Annalena; Falk, Mareike; Janek, Jürgen; Fröba, Michael; Fittschen, Ursula Elisabeth Adriane

    2013-01-01

    The cathode material LiNi 0.5 Mn 1.5 O 4 for lithium-ion batteries has been studied with confocal micro-X-ray fluorescence (CMXRF) combined with X-ray absorption near edge structure (XANES) at the Mn-K edge and the Ni-K edge. This technique allows for a non-destructive, spatially resolved (x, y and z) investigation of the oxidation states of surface areas and to some extent of deeper layers of the electrode. Until now CMXRF-XANES has been applied to a limited number of applications, mainly geo-science. Here, we introduce this technique to material science applications and show its performance to study a part of a working system. A novel mesoporous LiNi 0.5 Mn 1.5 O 4 material was cycled (charged and discharged) to investigate the effects on the oxidation states at the cathode/electrolyte interface. With this approach the degradation of Mn 3+ to Mn 4+ only observable at the surface of the electrode could be directly shown. The spatially resolved non-destructive analysis provides knowledge helpful for further understanding of deterioration and the development of high voltage battery materials, because of its nondestructive nature it will be also suitable to monitor processes during battery cycling. - Highlights: • The potential of confocal micro-XRF-XANES for spatial resolved species analysis in a part of a working system is shown. • The spatial resolution enables differentiation of the oxidized interface from deeper layers. • With the analytical technique confocal micro-XRF-XANES 3D in-situ analyses of working systems are feasible. • The multidimensional and nondestructive analysis of Li-ion battery cathodes is shown. • The analysis will allow for a deeper understanding of processes at interfaces in battery science and others

  1. Surface and in-depth characterization of lithium-ion battery cathodes at different cycle states using confocal micro-X-ray fluorescence-X-ray absorption near edge structure analysis

    Energy Technology Data Exchange (ETDEWEB)

    Menzel, Magnus; Schlifke, Annalena [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany); Falk, Mareike; Janek, Jürgen [Physikalisch-Chemisches Institut, Justus-Liebig-Universität Gießen, Heinrich-Buff-Ring 58, 35392 Gießen (Germany); Fröba, Michael, E-mail: froeba@chemie.uni-hamburg.de [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany); Fittschen, Ursula Elisabeth Adriane, E-mail: ursula.fittschen@chemie.uni-hamburg.de [Institut für Anorganische und Angewandte Chemie, Universität Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg (Germany)

    2013-07-01

    The cathode material LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} for lithium-ion batteries has been studied with confocal micro-X-ray fluorescence (CMXRF) combined with X-ray absorption near edge structure (XANES) at the Mn-K edge and the Ni-K edge. This technique allows for a non-destructive, spatially resolved (x, y and z) investigation of the oxidation states of surface areas and to some extent of deeper layers of the electrode. Until now CMXRF-XANES has been applied to a limited number of applications, mainly geo-science. Here, we introduce this technique to material science applications and show its performance to study a part of a working system. A novel mesoporous LiNi{sub 0.5}Mn{sub 1.5}O{sub 4} material was cycled (charged and discharged) to investigate the effects on the oxidation states at the cathode/electrolyte interface. With this approach the degradation of Mn{sup 3+} to Mn{sup 4+} only observable at the surface of the electrode could be directly shown. The spatially resolved non-destructive analysis provides knowledge helpful for further understanding of deterioration and the development of high voltage battery materials, because of its nondestructive nature it will be also suitable to monitor processes during battery cycling. - Highlights: • The potential of confocal micro-XRF-XANES for spatial resolved species analysis in a part of a working system is shown. • The spatial resolution enables differentiation of the oxidized interface from deeper layers. • With the analytical technique confocal micro-XRF-XANES 3D in-situ analyses of working systems are feasible. • The multidimensional and nondestructive analysis of Li-ion battery cathodes is shown. • The analysis will allow for a deeper understanding of processes at interfaces in battery science and others.

  2. Cognitive distance, absorptive capacity and group rationality : a simulation study

    NARCIS (Netherlands)

    Curseu, P.L.; Krehel, O.; Evers, J.H.M.; Muntean, A.

    2014-01-01

    We report the results of a simulation study in which we explore the joint effect of group absorptive capacity (as the average individual rationality of the group members) and cognitive distance (as the distance between the most rational group member and the rest of the group) on the emergence of

  3. Cognitive distance, absorptive capacity and group rationality : A simulation study

    NARCIS (Netherlands)

    Curseu, P.L.; Krehel, O.; Evers, J.H.M.; Muntean, A.

    2014-01-01

    We report the results of a simulation study in which we explore the joint effect of group absorptive capacity (as the average individual rationality of the group members) and cognitive distance (as the distance between the most rational group member and the rest of the group) on the emergence of

  4. Non-resonant microwave absorption studies of superconducting ...

    Indian Academy of Sciences (India)

    Abstract. Non-resonant microwave absorption (NRMA) studies of superconducting MgB2 and a sample containing 10% by weight of MgO in MgB2 are reported. The NRMA results indicate near absence of intergranular weak links in the pure MgB2 sample. A linear temperature dependence of the lower critical field Hc1 is ...

  5. Case Studies of Leading Edge Small Urban High Schools. Relevance Strategic Designs: 4. Boston Arts Academy

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  6. Case Studies of Leading Edge Small Urban High Schools. Relevance Strategic Designs: 6. Perspectives Charter School

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  7. Radioisotope studies for quantitative measurement of manganese absorption

    International Nuclear Information System (INIS)

    Helbig, U.

    1981-01-01

    Purpose of the present study was to quantitatively determine the manganese absorption in growing rats by means of radioisotopes. First of all the following factors had to be investigated, which are significant for this determination: Measurability of stable and radioactive Mn in rat tissues; labelling of stable Mn and distribution of stable and radioactive Mn in the organism; verification of the isotope dilution method and of the comparative balance method with regard to its applicability for the determination of the true Mn absorption. We useed male and female Sprague-Dawley rats. The most important results are summarized in the following: in some separate tissues measurement of stable Mn was accompanied by difficulties. The measurement of radioactive Mn however, could be performed without any problems. 10 d after i.m. injection of 54 Mn only 17% of the administered Mn was still detectable in the organism. However, there was no uniform tissue labelling found. Therefore it is possible to an only restricted extent to draw quantitative conclusions on the content of stable Mn. A high percentage of stable and radioactive Mn was found above all in the liver. The isotope dilution method permits by feces analysis to differentiate between unabsorbed Mn coming from the food and endogenic Mn coming from the organism itself. The effective Mn absorption was also determined by means of the comparative balance method. By means of the isotope dilution method we determined the quantitative Mn-absorption with staged Mn administration and the contribution of absorption and excretion to the homeostatic regulation mechanisms of Mn. We found that absorption and excretion help the organism to keep an almost constant Mn concentration even with a differing Mn supply. (orig./MG) [de

  8. Effects of Omeprazole on Iron Absorption: Preliminary Study

    Directory of Open Access Journals (Sweden)

    Mahmut Yaşar Çeliker

    2013-09-01

    Full Text Available Objective: Increasing numbers of pediatric and adult patients are being treated with proton pump inhibitors (PPIs. PPIs are known to inhibit gastric acid secretion. Nonheme iron requires gastric acid for conversion to the ferrous form for absorption. Ninety percent of dietary and 100% of oral iron therapy is in the nonheme form. To the best of our knowledge, the effect of PPIs on iron absorption has not been studied in humans. Our study assessed the relationship between omeprazole therapy and iron absorption in healthy subjects. Materials and Methods: We recruited 9 healthy volunteers between June 2010 and March 2011. Subjects with chronic illness, anemia, or use of PPI therapy were excluded. Serum iron concentrations were measured 1, 2, and 3 h after the ingestion of iron (control group. The measurements were repeated on a subsequent visit after 4 daily oral administrations of omeprazole at a dose of 40 mg (treatment group. Results: One female and 8 male volunteers were enrolled in the study with a mean age of 33 years. There was no statistical difference detected between baseline, 1-h, 2-h, and 3-h iron levels between control and treatment groups. Conclusion: Administration of omeprazole for a short duration does not affect absorption of orally administered iron in healthy individuals.

  9. Chlorine levels and species in fine and size resolved atmospheric particles by X-ray absorption near-edge structure spectroscopy analysis in Beijing, China.

    Science.gov (United States)

    Ouyang, Jie; Yang, Guo-Sheng; Ma, Ling-Ling; Luo, Min; Zheng, Lei; Huo, Qing; Zhao, Yi-Dong; Hu, Tian-Dou; Cai, Zhen-Feng; Xu, Dian-Dou

    2018-04-01

    An understanding of the species of chlorine is crucial in the metropolis-Beijing, which is suffering serious haze pollution with high frequency. Particulate Matters (PMs) with five different sizes were collected in Beijing from July 2009 to March 2016, and characterized non-destructively by X-ray absorption near edge structure spectroscopy. PM 2.5 contributed for the major PMs mass in spring and summer, PM 0.5-1.0 and PM 1.0-2.5 contributed for the major PMs mass in autumn and winter. The concentrations of the three chlorine species were in the order of inorganic chlorine (Cl inorg ) > aliphatic chlorine (Cl ali ) > aromatic chlorine (Cl aro ), indicating that Cl inorg constituted the primary chlorine fraction and less toxic Cl ali constituted the primary total organic chlorine (Cl ali  + Cl aro , abbreviated as Cl org ) in the PMs in Beijing. In addition, these three chlorine species exhibited identical seasonal variation in PM 2.5 : winter > autumn > spring > summer. Wet precipitation is an important factor to result in the lower mass concentrations of these three chlorine species in summer. The temporal variations of both size resolved PM mass concentrations and chlorine species concentrations suggested that the air pollution prevention and control in Beijing has just won initial success. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. On the study of wavy leading-edge vanes to achieve low fan interaction noise

    Science.gov (United States)

    Tong, Fan; Qiao, Weiyang; Xu, Kunbo; Wang, Liangfeng; Chen, Weijie; Wang, Xunnian

    2018-04-01

    The application of wavy leading-edge vanes to reduce a single-stage axial fan noise is numerically studied. The aerodynamic and acoustic performance of the fan is numerically investigated using a hybrid unsteady Reynolds averaged Navier-Stokes (URANS)/acoustic analogy method (Goldstein equations). First, the hybrid URANS/Goldstein method is developed and successfully validated against experiment results. Next, numerical simulations are performed to investigate the noise reduction effects of the wavy leading-edge vanes. The aerodynamic and acoustic performance is assessed for a fan with vanes equipped with two different wavy leading-edge profiles and compared with the performance of conventional straight leading-edge vanes. Results indicate that a fan with wavy leading-edge vanes produces lower interaction noise than the baseline fan without a significant loss in aerodynamic performance. In fact, it is demonstrated that wavy leading-edge vanes have the potential to lead to both aerodynamic and acoustic improvements. The two different wavy leading-edge profiles are shown to successfully reduce the fan tone sound power level by 1.2 dB and 4.3 dB, respectively. Fan efficiency is also improved by about 1% with one of the tested wavy leading-edge profiles. Large eddy simulation (LES) is also performed for a simplified fan stage model to assess the effects of wavy leading-edge vanes on the broadband fan noise. Results indicate that the overall sound power level of a fan can be reduced by about 4 dB with the larger wavy leading-edge profile. Finally, the noise reduction mechanisms are investigated and analysed. It is found that the wavy leading-edge profiles can induce significant streamwise vorticity around the leading-edge protuberances and reduce pressure fluctuations (especially at locations of wavy leading-edge hills) and unsteady forces on the stator vanes. The underlying mechanism of the reduced pressure fluctuations is also discussed by examining the magnitude

  11. Study of the plasma edge turbulence in tokamaks

    International Nuclear Information System (INIS)

    Garbet, X.; Laurent, L.; Mourgues, F.; Roubin, J.P.; Samain, A.

    1990-01-01

    The plasma edge in tokamaks is known to be very turbulent. We investigate here the non linear stability of a test mode in presence of an helical potential perturbation, i.e. a pump mode, which simulates the plasma turbulence. The particle trajectories in this perturbed equilibrium are derived using an hamiltonian formalism. The electrons appear to have trapped trajectories in the potential well of the pump mode, while the ions experience a large convective motion. These two effects have a large influence on the test mode stability. First, non linearly trapped electrons supply an energy source for the test mode. Second, the ion convective motion introduces a radial scale of the test mode larger than the ion Larmor radius, in agreement with experimental data. These two phenomena allow a bifurcation in the turbulence level and provide therefore an explanation for the L-H transition

  12. SOME SPECIATION STUDIES IN FOODSTUFF BY ATOMIC ABSORPTION SPECTROMETRY

    OpenAIRE

    Gücer, S

    2000-01-01

    There has been increasing interest in speciation studies of essentialelements in foods. The main limitation of this studies, their levels in foodsamples and the difficulties for the determination in their own differentforms without any changes in their original forms.Atomic Absorption Spectrometry (AAS) coupled with separation methodswould be outline in this presentation. Analytical scheme was given for tea, olive and garlic samples forManganese, Magnesium and Selenium respectively. Activated...

  13. Study of tunneling time with Larmor clock and neutron absorption

    International Nuclear Information System (INIS)

    Hino, M.; Tasaki, S.; Ebisawa, T.; Kawai, T.; Utsuro, M.; Achiwa, N.

    2001-01-01

    Tunnel effect is one of the most typical quantum mechanical phenomena which cannot be understood in the classical physics. Though the tunnel phenomenon itself is precisely defined on the basis of quantum mechanics, tunneling time, the time for a particle to pass a tunnel barrier, has been a controversial issue because time is a parameter to show the rate of change of physical phenomena in quantum mechanics but has no corresponding quantum operator. In the present study, Larmor precession of the neutrons passing a Permalloy45 (PA) thin film was measured as a function of neutron incident angle to the film by using neutron spin-echo instrument at KUR and neutron interferometer at JRR-3. Results are compared with a calculation based on one-dimensional Schroedinger equation. The agreement between the experiment and the plane-wave simulation is very good which means that the neutrons are not described in particle picture here, and the Larmor time defined as number of spin precession divided by angular velocity no more represents the time for a particle to pass the barrier although it is a kind of the phase time. In order to emphasize the particle picture, effects of neutron absorption were considered theoretically. Larmor precession passing through a Fabry-Perot magnetic thin film which has two potential barriers (quantum well) for up-spin neutrons were measured for two cases that the film is hot neutron absorptive (PA-Ge-PA) and strongly absorptive (Se-Ge/Gd-Se). Here Ge, Gd and Se represent germanium, gadolinium and Supersendust, respectively. While down-spin neutrons feel only a small potential barrier. Spin-dependent reflectivity and transmission of the Fabry-Perot magnetic films were also measured as functions of the neutron incident angle to the film. Experimental results of the non-absorptive film show that the neutron spin precession cannot be treated as the classical motion of a magnetic moment feeling torque under applied magnetic field like the Larmor

  14. 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.

  15. Intestinal perfusion in the study of intestinal absorption

    International Nuclear Information System (INIS)

    Baker, S.J.

    1976-01-01

    Several techniques for studying absorption by means of intestinal perfusion have been developed. While the principle is simple, the practice is complicated by absorption of the solvent and by excretion of fluid into the lumen. To improve reliability a ''marker'' is incorporated into the system; it should behave as nearly as possible like the nutrient of interest, except that it should be unabsorbable. A great many markers, including several labelled with radionuclides, have been developed for use with numerous nutrients, and perfusion methods using double or triple tubes or occlusive balloons have been tested. The perfusion technique is too complicated for routine diagnostic use, but it offers at present the only possibility of studying the function of defined sections of the small intestine in the intact human. (author)

  16. X-ray Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yano, Junko; Yachandra, Vittal K.

    2009-07-09

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

  17. Studies on the intestinal absorption of vitamin B2

    International Nuclear Information System (INIS)

    Yamaguchi, Keiko; Moriwaki, Chiaki

    1978-01-01

    The intestinal absorption of vitamin B 2 was studied by in situ mesenteric perfusion system. Free form riboflavin (FR), FMN and FAD (1 mg each) were injected into the ligated jejunum of rat which was infused Krebs Ringer bicarbonate solution from the superior mesenteric artery. Perfusate was recovered from the mesenteric vein and the recoveries of the total riboflavin during 120 min after the administration of these 3 types vitamin B 2 were 1.0, 1.5 and 2.8%, respectively. Furthermore, riboflavin and its esters were detected in the perfusates from 14 C-FR and 14 C-FAD given rats. There was a considerable amount of labeled substance which was not vitamin B 2 derivatives in the radiopaperchromatogram of the perfusate of 14 C-FR dosed rats, and it is suggested that a portion of riboflavin is decomposed in the process of absorption. (auth.)

  18. Spectroscopic study of low-temperature hydrogen absorption in palladium

    Energy Technology Data Exchange (ETDEWEB)

    Ienaga, K., E-mail: ienaga@issp.u-tokyo.ac.jp; Takata, H.; Onishi, Y.; Inagaki, Y.; Kawae, T. [Department of Applied Quantum Physics, Faculty of Engineering, Kyushu University, Motooka, Nishi-Ku, Fukuoka 819-0395 (Japan); Tsujii, H. [Department of Physics, Faculty of Education, Kanazawa University, Kakuma-machi, Kanazawa 920-1192 (Japan); Kimura, T. [Department of Physics, Kyushu University, Hakozaki, Higashi-Ku, Fukuoka 812-8581 (Japan)

    2015-01-12

    We report real-time detection of hydrogen (H) absorption in metallic palladium (Pd) nano-contacts immersed in liquid H{sub 2} using inelastic electron spectroscopy (IES). After introduction of liquid H{sub 2}, the spectra exhibit the time evolution from the pure Pd to the Pd hydride, indicating that H atoms are absorbed in Pd nano-contacts even at the temperature where the thermal process is not expected. The IES time and bias voltage dependences show that H absorption develops by applying bias voltage 30 ∼ 50 mV, which can be explained by quantum tunneling. The results represent that IES is a powerful method to study the kinetics of high density H on solid surface.

  19. Cognitive distance, absorptive capacity and group rationality: a simulation study.

    Directory of Open Access Journals (Sweden)

    Petru Lucian Curşeu

    Full Text Available We report the results of a simulation study in which we explore the joint effect of group absorptive capacity (as the average individual rationality of the group members and cognitive distance (as the distance between the most rational group member and the rest of the group on the emergence of collective rationality in groups. We start from empirical results reported in the literature on group rationality as collective group level competence and use data on real-life groups of four and five to validate a mathematical model. We then use this mathematical model to predict group level scores from a variety of possible group configurations (varying both in cognitive distance and average individual rationality. Our results show that both group competence and cognitive distance are necessary conditions for emergent group rationality. Group configurations, in which the groups become more rational than the most rational group member, are groups scoring low on cognitive distance and scoring high on absorptive capacity.

  20. Cognitive distance, absorptive capacity and group rationality: a simulation study.

    Science.gov (United States)

    Curşeu, Petru Lucian; Krehel, Oleh; Evers, Joep H M; Muntean, Adrian

    2014-01-01

    We report the results of a simulation study in which we explore the joint effect of group absorptive capacity (as the average individual rationality of the group members) and cognitive distance (as the distance between the most rational group member and the rest of the group) on the emergence of collective rationality in groups. We start from empirical results reported in the literature on group rationality as collective group level competence and use data on real-life groups of four and five to validate a mathematical model. We then use this mathematical model to predict group level scores from a variety of possible group configurations (varying both in cognitive distance and average individual rationality). Our results show that both group competence and cognitive distance are necessary conditions for emergent group rationality. Group configurations, in which the groups become more rational than the most rational group member, are groups scoring low on cognitive distance and scoring high on absorptive capacity.

  1. $\\beta$-decay studies using total-absorption spectroscopy

    CERN Document Server

    Algora, A; García-Borge, M J; Cano-Ott, D; Collatz, R; Courtin, S; Dessagne, P; Fraile-Prieto, L M; Gadea, A; Gelletly, W; Hellström, M; Janas, Z; Jungclaus, A; Kirchner, R; Karny, M; Le Scornet, G; Miehé, C; Maréchal, F; Moroz, F; Nacher, E; Poirier, E; Roeckl, E; Rubio, B; Rykaczewski, K; Taín, J L; Tengblad, O; Wittmann, V

    2004-01-01

    $\\beta$-decay experiments are a primary source of information for nuclear-structure studies and at the same time complementary to in- beam investigations of nuclei far from stability. Although both types of experiment are mainly based on $\\gamma$-ray spectroscopy, they face different experimental problems. The so-called " Pandemonium effect " is a critical problem in $\\beta$-decay if we are to test theoretically calculated transition probabilities. In this contribution we will present a solution to this problem using total absorption spectroscopy methods. We will also present some examples of experiments carried out with the Total Absorption Spectrometer (TAS) at GSI and describe a new device LUCRECIA recently installed at CERN.

  2. Scaling study of edge plasma parameters using a multi-device database

    International Nuclear Information System (INIS)

    Tsui, H.Y.W.; Miner, W.H.; Wootton, A.J.

    1995-01-01

    A database consisting of edge equilibrium, turbulence and transport related plasma parameters has been compiled. Scaling laws for edge density, electron temperature, and radial particle flux are derived in an initial study using a subset of data obtained from tokamaks Phaedrus-T, Tokamak de Varennes, TEXT and TEXT-U. A comparison of edge particle transport in divertor and limiter plasmas shows that the magnetic topology of a separatrix or a divertor improves particle confinement. The particle diffusion coefficient varies radially in a manner opposite to that of Bohm diffusion. ((orig.))

  3. Experimental Study of Electronic Quantum Interference, Photonic Crystal Cavity, Photonic Band Edge Effects for Optical Amplification

    Science.gov (United States)

    2016-01-26

    AFRL-RV-PS- AFRL-RV-PS- TR-2016-0003 TR-2016-0003 EXPERIMENTAL STUDY OF ELECTRONIC QUANTUM INTERFERENCE , PHOTONIC CRYSTAL CAVITY, PHOTONIC BAND...EDGE EFFECTS FOR OPTICAL AMPLIFICATION Shawn-Yu Lin Rensselaer Polytechnic Institute 110 8th Street Troy, New York 12180 26 Jan 2016 Final Report...2014 – 11 Jan 2016 4. TITLE AND SUBTITLE Experimental Study of Electronic Quantum Interference , Photonic Crystal Cavity, Photonic Band Edge Effects

  4. Non-destructive studies of fuel pellets by neutron resonance absorption radiography and thermal neutron radiography

    Energy Technology Data Exchange (ETDEWEB)

    Tremsin, A.S., E-mail: ast@ssl.berkeley.edu [University of California, Berkeley, CA 94720 (United States); Vogel, S.C.; Mocko, M.; Bourke, M.A.M.; Yuan, V.; Nelson, R.O.; Brown, D.W. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Feller, W.B. [NOVA Scientific, Inc., 10 Picker Rd., Sturbridge, MA 01566 (United States)

    2013-09-15

    Many isotopes in nuclear materials exhibit strong peaks in neutron absorption cross sections in the epithermal energy range (1–1000 eV). These peaks (often referred to as resonances) occur at energies specific to particular isotopes, providing a means of isotope identification and concentration measurements. The high penetration of epithermal neutrons through most materials is very useful for studies where samples consist of heavy-Z elements opaque to X-rays and sometimes to thermal neutrons as well. The characterization of nuclear fuel elements in their cladding can benefit from the development of high resolution neutron resonance absorption imaging (NRAI), enabled by recently developed spatially-resolved neutron time-of-flight detectors. In this technique the neutron transmission of the sample is measured as a function of spatial location and of neutron energy. In the region of the spectra that borders the resonance energy for a particular isotope, the reduction in transmission can be used to acquire an image revealing the 2-dimensional distribution of that isotope within the sample. Provided that the energy of each transmitted neutron is measured by the neutron detector used and the irradiated sample possesses neutron absorption resonances, then isotope-specific location maps can be acquired simultaneously for several isotopes. This can be done even in the case where samples are opaque or have very similar transmission for thermal neutrons and X-rays or where only low concentrations of particular isotopes are present (<0.1 atom% in some cases). Ultimately, such radiographs of isotope location can be utilized to measure isotope concentration, and can even be combined to produce three-dimensional distributions using tomographic methods. In this paper we present the proof-of-principle of NRAI and transmission Bragg edge imaging performed at Flight Path 5 (FP5) at the LANSCE pulsed, moderated neutron source of Los Alamos National Laboratory. A set of urania mockup

  5. Uranium absorption study pile; Empilement pour le controle de l'absorption de l'uranium

    Energy Technology Data Exchange (ETDEWEB)

    Raievski, V; Sautiez, B [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    The report describes a pile designed to measure the absorption of fuel slugs. The pile is of graphite and comprises a central section composed of uranium rods in a regular lattice. RaBe sources and BF{sub 3} counters are situated on either side of the center. A given uranium charge is compared with a specimen charge of about 560 kg, and the difference in absorption between the two noted. The sensitivity of the equipment will detect absorption variations of about a few ppm boron (10{sup -6} boron per gr. of uranium) or better. (author) [French] Nous decrivons un dispositif permettant de mesurer l'absorption des elements combustibles d'une pile. Ce dispositif est constitue par un empilement de graphite dont la region centrale est formee par un reseau regulier de barres d'uranium. Des sources de RaBe et des compteurs a BF{sub 3} sont places de part et d'autre de cette region. En comparant un chargement d'uranium a un chargement etalon d'environ 560 kg, on peut determiner la difference d'absorption entre ces deux chargements. La sensibilite permettrait de deceler une variation d'absorption de l'ordre du ppm de bore (10{sup -6} g de bore par gramme d'uranium) et peut-etre mieux. (auteur)

  6. Electronic topological transition in zinc under pressure: An x-ray absorption spectroscopy study

    International Nuclear Information System (INIS)

    Aquilanti, G.; Trapananti, A.; Pascarelli, S.; Minicucci, M.; Principi, E.; Liscio, F.; Twarog, A.

    2007-01-01

    Zinc metal has been studied at high pressure using x-ray absorption spectroscopy. In order to investigate the role of the different degrees of hydrostaticity on the occurrence of structural anomalies following the electronic topological transition, two pressure transmitting media have been used. Results show that the electronic topological transition, if it exists, does not induce an anomaly in the local environment of compressed Zn as a function of hydrostatic pressure and any anomaly must be related to a loss of hydrostaticity of the pressure transmitting medium. The near-edge structures of the spectra, sensitive to variations in the electronic density of states above the Fermi level, do not show any evidence of electronic transition whatever pressure transmitting medium is used

  7. 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.

  8. 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.

  9. A computational parametric study on edge loading in ceramic-on-ceramic total hip joint replacements.

    Science.gov (United States)

    Liu, Feng; Feng, Li; Wang, Junyuan

    2018-07-01

    Edge loading in ceramic-on-ceramic total hip joint replacement is an adverse condition that occurs as the result of a direct contact between the head and the cup rim. It has been associated with translational mismatch in the centres of rotation of the cup and head, and found to cause severe wear and early failure of the implants. Edge loading has been considered in particular in relation to dynamic separation of the cup and head centres during a gait cycle. Research has been carried out both experimentally and computationally to understand the mechanism including the influence of bearing component positioning on the occurrence and severity of edge loading. However, it is experimentally difficult to measure both the load magnitude and duration of edge loading as it occurs as a short impact within the tight space of hip joints. Computationally, a dynamic contact model, for example, developed using the MSC ADAMS software for a multi-body dynamics simulation can be particularly useful for calculating the loads and characterising the edge loading. The aim of the present study was to further develop the computational model, and improve the predictions of contact force and the understanding of mechanism in order to provide guidance on design and surgical factors to avoid or to reduce edge loading and wear. The results have shown that edge loading can be avoided for a low range of translational mismatch in the centres of rotation of the cup and head during gait at the level of approximately 1.0 mm for a cup at 45° inclination, keeping a correct cup inclination at 45° is important to reduce the edge loading severity, and edge loading can be avoided for a certain range of translational mismatch of the cup and head centres with an increased swing phase load. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Gas phase absorption studies of photoactive yellow protein chromophore derivatives.

    Science.gov (United States)

    Rocha-Rinza, Toms; Christiansen, Ove; Rajput, Jyoti; Gopalan, Aravind; Rahbek, Dennis B; Andersen, Lars H; Bochenkova, Anastasia V; Granovsky, Alexander A; Bravaya, Ksenia B; Nemukhin, Alexander V; Christiansen, Kasper Lincke; Nielsen, Mogens Brøndsted

    2009-08-27

    Photoabsorption spectra of deprotonated trans p-coumaric acid and two of its methyl substituted derivatives have been studied in gas phase both experimentally and theoretically. We have focused on the spectroscopic effect of the location of the two possible deprotonation sites on the trans p-coumaric acid which originate to either a phenoxide or a carboxylate. Surprisingly, the three chromophores were found to have the same absorption maximum at 430 nm, in spite of having different deprotonation positions. However, the absorption of the chromophore in polar solution is substantially different for the distinct deprotonation locations. We also report on the time scales and pathways of relaxation after photoexcitation for the three photoactive yellow protein chromophore derivatives. As a result of these experiments, we could detect the phenoxide isomer within the deprotonated trans p-coumaric acid in gas phase; however, the occurrence of the carboxylate is uncertain. Several computational methods were used simultaneously to provide insights and assistance in the interpretation of our experimental results. The calculated excitation energies S(0)-S(1) are in good agreement with experiment for those systems having a negative charge on a phenoxide moiety. Although our augmented multiconfigurational quasidegenerate perturbation theory calculations agree with experiment in the description of the absorption spectrum of anions with a carboxylate functional group, there are some puzzling disagreements between experiment and some calculational methods in the description of these systems.

  11. Infrared absorption studies of the annealing of irradiated diamonds

    International Nuclear Information System (INIS)

    Woods, G.S.

    1984-01-01

    Natural (types Ia and IIa) and synthetic (type Ib) diamonds have been irradiated with energetic electrons and neutrons and then heated at temperatures up to 1400 deg C. Attendant changes in the infrared absorption spectra, especially above the Raman frequency (1332 cm -1 ), have been monitored. The most prominent absorption to develop in the infrared region proper, on annealing both type Ia and type Ib specimens, whether electron- or neutron-irradiated is the H1a line at 1450 cm -1 . Measurements taken of neutron-irradiated type Ia specimens show that the strength of this line is specimen-dependent, and that it is a linear function of radiation dose. Isochronal annealing studies show that the onset of the line occurs during heating at 250 deg C for type Ia specimens and at 650 deg C for type Ib specimens. The absorption begins to weaken during heating at 1100 deg C, but it is very persistent, surviving an anneal of 4 hours at 1400 deg C, albeit with diminished intensity. Three other weaker lines at 1438, 1358 and 1355 cm -1 develop with the 1450 cm -1 line, but differ from it and from each other in subsequent annealing behaviour. Other lines were observed; these are reported and discussed. (author)

  12. Determination of the photoeffect cross section and the K- absorption edge energy of Dy, Ta, Pt and Au atoms using Bremsstrahlung

    International Nuclear Information System (INIS)

    Garcia-Alvarez, J. A.; Lopez-Pino, N.; Diaz Rizo, O.; Corrales, Y.; Padilla-Cabal, F.; Perez-Liva, M.; D' Alessandro, K.; Maidana, N. L.

    2011-01-01

    An experiment to determine the K-shell photoelectric cross-section (CS) of Dy, Ta, Pt and Au atoms was implemented at the Nuclear Analytical Laboratory (LAN) of the InSTEC. Bremsstrahlung photons, produced by 90 Sr- 90 Y beta particles hitting a thin Ni converter, were used to irradiate the foils target of the elements under study. A HPGe detector, coupled to standard nuclear instrumentation, collected the incident and transmitted spectra. A sharp decrease in intensity at the K-shell binding energy was observed in the transmitted spectra. The photon beam divergence effects were corrected with a calibration curve calculated by means of Monte Carlo simulations (MCNPX 2.6). In order to establish accurately the CS at the K-edge energy, the obtained data was processed by two methods: fitting the total CS to a sigmoidal function, as well as the CS branches around the K edge to the empirical law σ=(A/E) n . The results were compared with experimental and theoretical values showing the best agreement when the thinner foils were used. (Author)

  13. Edge Matters

    DEFF Research Database (Denmark)

    Earon, Ofri

    2013-01-01

    of this container is to separate inside from outside and to protect and provide privacy, psychological as well as physical (Venturi, 1966). But, if dwelling phenomenon takes place both inside and outside the private house – why is the urban house an enclosed box? What is the differentiation between inside...... and outside the contemporary urban house? And what is the interplay between them? The research argues for re-thinking the edge zone between inside and outside the urban house. Therefore, although, residential buildings in the city are the objects of study, the focal point here is the edge zone along...... the building. The research explores and develops the architectural characteristics of correlations between the resident, the singular unit, the building and the given location at the edge zone. It approaches the edge zone of the urban house as a platform for dynamic interactions between these behaviours...

  14. Use of X-ray absorption near edge structure (XANES) to identify physisorption and chemisorption of phosphate onto ferrihydrite-modified diatomite.

    Science.gov (United States)

    Xiong, Wenhui; Peng, Jian; Hu, Yongfeng

    2012-02-15

    This paper presents a novel technique integrating bulk-sensitive and surface-sensitive XANES methods to distinguish between physisorption and chemisorption for phosphate adsorption onto ferrihydrite-modified diatomite (FHMD). XANES P K-edge, L-edge, and Fe M-edge spectra were obtained for reference samples (K(2)HPO(4) and FePO(4)·2H(2)O) and test samples (phosphate adsorbed onto FHMD (FHMD-Ps) and Si-containing ferrihydrite (FHYD-Ps)). A resolvable pre-edge peak in the P K-edge spectra of FHMD-Ps and FHYD-Ps provided direct evidence for the formation of P-O-Fe(III) coordination and the occurrence of chemisorption. The resemblance between the P L-edge spectra of K(2)HPO(4) and FHMD-Ps and the marked difference between the spectra of FHMD-Ps and FePO(4)·2H(2)O indicated the intact existence of the adsorbate and the adsorbent. The similarity between Fe M-edge spectra of FHMD and FHMD-Ps and the difference between the spectra of FHMD-Ps and FePO(4)·2H(2)O confirmed the findings from P L-edge analyses. Therefore, chemisorption and physisorption coexisted during phosphate adsorption onto FHMD. Phosphate chemisorption occurred in the deeper zone of FHMD (from 50 nm to 5 μm); whereas physisorption occurred in the zone of FHMD shallower than 50 nm since the probing depth of XANES P K-edge method is 5 μm and that of P L-edge and Fe M-edge methods is 50 nm. Copyright © 2011 Elsevier Inc. All rights reserved.

  15. First-principles study of graphene edge properties and flake shapes

    OpenAIRE

    Gan, Chee Kwan; Srolovitz, David J.

    2009-01-01

    We use density functional theory to determine the equilibrium shape of graphene flakes, through the calculation of the edge orientation dependence of the edge energy and edge stress of graphene nanoribbons. The edge energy is a nearly linear function of edge orientation angle; increasing from the armchair orientation to the zigzag orientation. Reconstruction of the zigzag edge lowers its energy to less than that of the armchair edge. The edge stress for all edge orientations is compressive, h...

  16. Studies of the X-ray absorption spectra of some methylcyano esters

    International Nuclear Information System (INIS)

    Takahashi, Osamu; Saito, Ko; Mitani, Masaki; Yoshida, Hiroaki; Tahara, Fumitaka; Sunami, Tetsuji; Waki, Keiichiro; Senba, Yasunori; Hiraya, Atsunari; Pettersson, Lars G.M.

    2005-01-01

    Density functional theory (DFT) has been applied to simulate core-excited photoabsorption spectra for some methylcyano esters within a transition potential (TP) framework. Our calculations for methylcyano formate at the N and O K-edges are consistent with previous experimental spectra. For methylcyano acetate the photoabsorption spectra at the N and O K-edges were reinvestigated experimentally. Contrary to the previous experiment, only one main peak was observed at the N K-edge and this peak was assigned to N(1s) ->π* excitation. This result was supported by our theoretical calculations. The general trends in the X-ray absorption spectra and the site-specific bond scission of methylcyano esters at the N and O K-edges are also discussed

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

    International Nuclear Information System (INIS)

    Willey, T; Willey, T

    2004-01-01

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

  18. X-ray absorption studies of graphite intercalates and metal-ammonia solutions

    International Nuclear Information System (INIS)

    Robertson, A.S.

    1979-09-01

    X-ray absorption spectroscopy (XAS) was used to study the arsenic fluorocomplexes, including the AsF 5 and AsF 6 - intercalates of graphite, and rubidium metal-ammonia solutions. The As-F distances obtained for AsF 3 and AsF 5 gas are both in excellent agreement with electron diffraction data (within 0.004 A). A superior measurement which is significantly shorter than the accepted value of the bond distance in an undistorted AsF 6 - octahedra is reported. Both the XAES and EXAFS data presented support the hypothesis that the AsF 5 oxidizes graphite upon intercalation to produce AsF 6 - and AsF 3 intercalant species. Changes in the Rb K-edge features which are consistent with the known properties of Rb-NH 3 are correlated with conductivity and delocalization of the solvated electrons. In the XAES region, intensity and position changes of absorption transitions are explained. In the EXAFS region, the Rb-N bond distance and the relative number of nitrogen atoms in the first shell are measured. XAS has been shown to provide unique information about the nature of the metal-ammonia phase separation, phase transition, and density fluctuations

  19. An evaluation of edge effects in nutritional accessibility and availability measures: a simulation study.

    Science.gov (United States)

    Van Meter, Emily M; Lawson, Andrew B; Colabianchi, Natalie; Nichols, Michele; Hibbert, James; Porter, Dwayne E; Liese, Angela D

    2010-07-27

    This paper addresses the statistical use of accessibility and availability indices and the effect of study boundaries on these measures. The measures are evaluated via an extensive simulation based on cluster models for local outlet density. We define outlet to mean either food retail store (convenience store, supermarket, gas station) or restaurant (limited service or full service restaurants). We designed a simulation whereby a cluster outlet model is assumed in a large study window and an internal subset of that window is constructed. We performed simulations on various criteria including one scenario representing an urban area with 2000 outlets as well as a non-urban area simulated with only 300 outlets. A comparison is made between estimates obtained with the full study area and estimates using only the subset area. This allows the study of the effect of edge censoring on accessibility measures. The results suggest that considerable bias is found at the edges of study regions in particular for accessibility measures. Edge effects are smaller for availability measures (when not smoothed) and also for short range accessibility It is recommended that any study utilizing these measures should correct for edge effects. The use of edge correction via guard areas is recommended and the avoidance of large range distance-based accessibility measures is also proposed.

  20. An evaluation of edge effects in nutritional accessibility and availability measures: a simulation study

    Directory of Open Access Journals (Sweden)

    Porter Dwayne E

    2010-07-01

    Full Text Available Abstract Background This paper addresses the statistical use of accessibility and availability indices and the effect of study boundaries on these measures. The measures are evaluated via an extensive simulation based on cluster models for local outlet density. We define outlet to mean either food retail store (convenience store, supermarket, gas station or restaurant (limited service or full service restaurants. We designed a simulation whereby a cluster outlet model is assumed in a large study window and an internal subset of that window is constructed. We performed simulations on various criteria including one scenario representing an urban area with 2000 outlets as well as a non-urban area simulated with only 300 outlets. A comparison is made between estimates obtained with the full study area and estimates using only the subset area. This allows the study of the effect of edge censoring on accessibility measures. Results The results suggest that considerable bias is found at the edges of study regions in particular for accessibility measures. Edge effects are smaller for availability measures (when not smoothed and also for short range accessibility Conclusions It is recommended that any study utilizing these measures should correct for edge effects. The use of edge correction via guard areas is recommended and the avoidance of large range distance-based accessibility measures is also proposed.

  1. Big-data-based edge biomarkers: study on dynamical drug sensitivity and resistance in individuals.

    Science.gov (United States)

    Zeng, Tao; Zhang, Wanwei; Yu, Xiangtian; Liu, Xiaoping; Li, Meiyi; Chen, Luonan

    2016-07-01

    Big-data-based edge biomarker is a new concept to characterize disease features based on biomedical big data in a dynamical and network manner, which also provides alternative strategies to indicate disease status in single samples. This article gives a comprehensive review on big-data-based edge biomarkers for complex diseases in an individual patient, which are defined as biomarkers based on network information and high-dimensional data. Specifically, we firstly introduce the sources and structures of biomedical big data accessible in public for edge biomarker and disease study. We show that biomedical big data are typically 'small-sample size in high-dimension space', i.e. small samples but with high dimensions on features (e.g. omics data) for each individual, in contrast to traditional big data in many other fields characterized as 'large-sample size in low-dimension space', i.e. big samples but with low dimensions on features. Then, we demonstrate the concept, model and algorithm for edge biomarkers and further big-data-based edge biomarkers. Dissimilar to conventional biomarkers, edge biomarkers, e.g. module biomarkers in module network rewiring-analysis, are able to predict the disease state by learning differential associations between molecules rather than differential expressions of molecules during disease progression or treatment in individual patients. In particular, in contrast to using the information of the common molecules or edges (i.e.molecule-pairs) across a population in traditional biomarkers including network and edge biomarkers, big-data-based edge biomarkers are specific for each individual and thus can accurately evaluate the disease state by considering the individual heterogeneity. Therefore, the measurement of big data in a high-dimensional space is required not only in the learning process but also in the diagnosing or predicting process of the tested individual. Finally, we provide a case study on analyzing the temporal expression

  2. Studies on Steam Absorption Chillers Performance at a Cogeneration Plant

    Directory of Open Access Journals (Sweden)

    Abd Majid Mohd Amin

    2014-07-01

    Full Text Available Absorption chillers at cogeneration plants generate chilled water using steam supplied by heat recovery steam generators. The chillers can be of either single-effect or double effect configuration and the coefficient of performance (COP depends on the selection made. The COP varies from 0.7 to 1.2 depending on the types of chillers. Single effect chillers normally have COP in the range of 0.68 to 0.79. Double effect chillers COP are higher and can reach 1.2. However due to factors such as inappropriate operations and maintenance practices, COP could drop over a period of time. In this work the performances of double effect steam absorption chillers at a cogeneration plant were studied. The study revealed that during the period of eleven years of operation the COP of the chillers deteriorated from 1.25 to 0.6. Regression models on the operation data indicated that the state of deterioration was projected to persist. Hence, it would be recommended that the chillers be considered for replacement since they had already undergone a series of costly repairs.

  3. X-ray absorption spectroscopy and neutron diffraction study of the perovskite-type rare-earth cobaltites

    Science.gov (United States)

    Sikolenko, V.; Efimova, E.; Franz, A.; Ritter, C.; Troyanchuk, I. O.; Karpinsky, D.; Zubavichus, Y.; Veligzhanin, A.; Tiutiunnikov, S. I.; Sazonov, A.; Efimov, V.

    2018-05-01

    Correlations between local and long-range structure distortions in the perovskite-type RE1-xSrxCoO3-δ (RE = La, Pr, Nd; x = 0.0 and 0.5) compounds have been studied at room temperature by extended X-ray absorption fine structure (EXAFS) at the Co K-edge and high-resolution neutron powder diffraction (NPD). The use of two complementary experimental techniques allowed us to explore the influence of the type of rare-earth element and strontium substitution on unusual behavior of static and dynamic features of both the Co-O bond lengths.

  4. Experimental and theoretical study of electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Festa, Floriane

    2013-01-01

    Matter in extreme conditions belongs to Warm Dense Matter regime which lays between dense plasma regime and condensed matter. This regime is still not well known, indeed it is very complex to generate such plasma in the laboratory to get experimental data and validate models. The goal of this thesis is to study electronic structure of aluminum in extreme conditions with X-ray absorption spectroscopy. Experimentally aluminum has reached high densities and high temperatures, up to now unexplored. An X-ray source has also been generated to probe highly compressed aluminum. Two spectrometers have recorded aluminum absorption spectra and aluminum density and temperature conditions have been deduced thanks to optical diagnostics. Experimental spectra have been compared to ab initio spectra, calculated in the same conditions. The theoretical goal was to validate the calculation method in high densities and high temperatures regime with the study of K-edge absorption modifications. We also used absorption spectra to study the metal-non metal transition which takes place at low density (density ≤ solid density). This transition could be study with electronic structure modifications of the system. (author) [fr

  5. Studies on the radiation absorption characteristics of various rocks

    International Nuclear Information System (INIS)

    Rahman, K.N.; Abdullah, S.A.; Gazzaz, M.A.

    1984-05-01

    Radiation absorption characteristics of nine different rocks, namely, ferrugenous quartz, metabasalt, larvikite, coarse grained diorite, coarse grained granite, coarse grained alkali granite, marble, quartz mica schist, and metamorphosed rock are studied. The rocks were collected from Jeddah, Makkah, Mina and Taif areas. Special attention was given on the availability, compactness, physical formation and uniform composition in selecting the rocks. The rocks were identified by optical method and their elemental composition determined by chemical analysis. The data were used to calculate the effective atomic numbers, half value layers mass and linear attenuation coefficients. The half value layers and the linear attenuation coefficientsof these rocks were determined experimentally using Am-241, Cs-137,and Co-60 sources. The results are compared with those obtained by theoretical calculations and agrre within 10%. Most of the rocks show much higher radiation attenuation characteristics than the standard concrete. Rocks containing higher percentage of Fe, Ca, Ti, and Mn show much higher radiation absorption characteristics than concrete. Only granites are found to be almost equivalent to concrete. 12 Ref

  6. Absorption study of pentachlorophenol in persons working with wood preservatives

    Energy Technology Data Exchange (ETDEWEB)

    Jones, R.D.; Winter, D.P.; Cooper, A.J.

    1986-05-01

    Plasma and urinary pentachlorophenol (PCP) was measured in 209 workers who had occupational exposure to wood preservatives containing this compound and 101 workers not exposed occupationally to PCP. Workers were examined for chloracne and blood concentrations of bilirubin, gamma-glutamyltransferase (GGT), cholesterol and high-density lipoproteins (HDL) were determined. All the occupationally exposed groups showed evidence of PCP absorption; highest mean concentrations were found in remedial timber-treatment operatives (6.0 mmol/l for plasma and 274 nmol/mmol of creatinine for urine). Timber-yard workers also showed substantial evidence of absorption (mean plasma concentration 4.8 mmol/l). Persons formulating PCP-containing wood preservatives had the lowest concentrations of any exposed group sampled (mean plasma concentration 1.3 mmol/l, mean urinary concentration 39.6 nmol/mmol of creatinine). The occupational groups studied were not standardized for factors known to affect bilirubin, GGT, cholesterol and HDL. The inference that can be drawn from the results of these measurements is therefore limited. There was, however, no evidence of any disadvantageous effect of PCP on health as measured by these parameters. No overt case of chloracne was found.

  7. Experimental studies of processes with vibrationally excited hydrogen molecules that are important for tokamak edge plasma

    International Nuclear Information System (INIS)

    Cadez, I.; Markelj, S.; Rupnik, Z.; Pelicon, P.

    2006-01-01

    We are currently conducting a series of different laboratory experimental studies of processes involving vibrationally excited hydrogen molecules that are relevant to fusion edge plasma. A general overview of our activities is presented together with results of studies of hydrogen recombination on surfaces. This includes vibrational spectroscopy of molecules formed by recombination on metal surfaces exposed to the partially dissociated hydrogen gas and recombination after hydrogen permeation through metal membrane. The goal of these studies is to provide numerical parameters needed for edge plasma modelling and better understanding of plasma wall interaction processes. (author)

  8. Ca 3d unoccupied states in Bi2Sr2CaCu2O8 investigated by Ca L2,3 x-ray-absorption near-edge structure

    International Nuclear Information System (INIS)

    Borg, A.; King, P.L.; Pianetta, P.; Lindau, I.; Mitzi, D.B.; Kapitulnik, A.; Soldatov, A.V.; Della Longa, S.; Bianconi, A.

    1992-01-01

    The high-resolution Ca L 2,3 x-ray-absorption near-edge-structure (XANES) spectrum of a Bi 2 Sr 2 CaCu 2 O 8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200x200 μm 2 . The Ca L 2,3 XANES spectrum is analyzed by performing a multiple-scattering XANES calculation in real space and comparing the results with the spectrum of CaF 2 . Good agreement between the calculated and experimental crystal-field splitting Δ f of the Ca 3d final states is found and the splitting is shown to be smaller by 0.5 eV than in the initial state. The Ca 3d partial density of states is found to be close to the Fermi level in the initial state. The Ca-O(in plane) distance is shown to be a critical parameter associated with the shift of the Ca 3d states relative to the Fermi level; in particular, we have studied the effect of the out-of-plane dimpling mode of the in-plane oxygen atoms O(in plane) that will move the Ca 3d states on or off the Fermi level. This mode can therefore play a role in modulating the charge transfer between the two CuO 2 planes separated by the Ca ions

  9. Ca 3d unoccupied states in Bi2Sr2CaCu2O8 investigated by Ca L2,3 x-ray-absorption near-edge structure

    Energy Technology Data Exchange (ETDEWEB)

    Borg, A; King, P L; Pianetta, P; Lindau, I; Mitzi, D B

    1992-01-01

    The high-resolution Ca L(2,3) x-ray-absorption near-edge-structure (XANES) spectrum of a Bi2Sr2CaCu2O8 single crystal has been measured by use of a magnetic-projection x-ray microscope probing a surface area of 200x200 micrometers square. The Ca L(2,3) XANES spectrum is analyzed by performing a multiple-scattering XANES calculation in real space and comparing the results with the spectrum of CaF2. Good agreement between the calculated and experimental crystal-field splitting Delta f of the Ca 3d final states is found and the splitting is shown to be smaller by 0.5 eV than in the initial state. The Ca 3d partial density of states is found to be close to the Fermi level in the initial state. The Ca-O (in plane) distance is shown to be a critical parameter associated with the shift of the Ca 3d states relative to the Fermi level; in particular, the authors have studied the effect of the out-of-plane dimpling mode of the in-plane oxygen atoms O(in plane) that will move the Ca 3d states on or off the Fermi level. This mode can therefore play a role in modulating the charge transfer between the two CuO2 planes separated by the Ca ions.

  10. Cluster model calculation for X-ray magnetic circular dichroism at rare-earth (R) L sub 2 sub , sub 3 absorption edges in R sub 2 Fe sub 1 sub 4 B

    CERN Document Server

    Asakura, K; Harada, I; Ogasawara, H; Fukui, K; Kotani, A

    2002-01-01

    X-ray magnetic circular dichroism (MCD) at the L sub 2 sub , sub 3 absorption edges for the entire series of rare-earth (RE) elements in R sub 2 Fe sub 1 sub 4 B (R=RE) is studied based on a cluster model including 10 RE and 16 Fe atoms. The cluster model takes into account band effects of RE 5d states, to which the electric dipole transition occurs from the core 2p states, as well as spin polarization of the 5d states due to the interatomic hybridization with the spin polarized Fe 3d states. We also take into account spin and orbital polarization of the 5d states due to the 5d-4f intra-atomic exchange interaction, and the 2p to 4f quadrupole transition. The calculated results are in satisfactory agreement with experimental ones, suggesting that the cluster model calculation provides a new method to calculate quantitatively MCD spectra of RE systems with complicated atomic arrangements. (author)

  11. Remote controlled capsules in human drug absorption (HDA) studies.

    Science.gov (United States)

    Wilding, Ian R; Prior, David V

    2003-01-01

    The biopharmaceutical complexity of today's new drug candidates provides significant challenges for pharmaceutical scientists in terms of both candidate selection and optimizing subsequent development strategy. In addition, life cycle management of marketed drugs has become an important income stream for pharmaceutical companies, but the selection of least risk/highest benefit strategies is far from simple. The proactive adoption of human drug absorption (HDA) studies using remote controlled capsules offers the pharmaceutical scientist significant guidance for planning a route through the maze of product development. This review examines the position of HDA studies in drug development, using a variety of case histories and an insightful update on remote controlled capsules to achieve site-specific delivery.

  12. Debris of potassium–magnesium silicate glass generated by femtosecond laser-induced ablation in air: An analysis by near edge X-ray absorption spectroscopy, micro Raman and energy dispersive X-ray spectroscopy

    International Nuclear Information System (INIS)

    Grehn, M.; Seuthe, T.; Reinhardt, F.; Höfner, M.; Griga, N.; Eberstein, M.; Bonse, J.

    2014-01-01

    The redeposited material (debris) resulting from ablation of a potassium–magnesium silicate glass upon scanning femtosecond laser pulse irradiation (130 fs, 800 nm) in air environment is investigated by means of three complementary surface analytical methods. Changes in the electronic band structure of the glass constituent Magnesium (Mg) were identified by X-ray Absorption Near Edge Structure spectroscopy (XANES) using synchrotron radiation. An up-shift of ≈0.8 eV of a specific Magnesium K-edge absorption peak in the spectrum of the redeposited material along with a significant change in its leading edge position was detected. In contrast, the surface left after laser ablation exhibits a downshift of the peak position by ≈0.9 eV. Both observations may be related to a change of the Mg coordinative state of the laser modified/redeposited glass material. The presence of carbon in the debris is revealed by micro Raman spectroscopy (μ-RS) and was confirmed by energy dispersive X-ray spectroscopy (EDX). These observations are attributed to structural changes and chemical reactions taking place during the ablation process.

  13. Theoretical experimental study of the factors that govern the molybdenum absorption signal by means of electro thermic atomic absorption spectroscopy

    International Nuclear Information System (INIS)

    Garaboto Farfan, M. A.

    1996-01-01

    The formation of molybdenum carbides in the atomizer, used in the electro thermic atomic absorption spectroscopy, is responsible for incomplete analyte removal in its analysis. This generates the apparition of the memory effect and little precision in the results. In this work, different variables that could affect the molybdenum absorption sign were investigated, as well as the influence of hydrochloric acid on the memory effect, by means of studies in the different stages: drying, calcination and atomization, and the samples deposition order in molybdenum solutions, either acidified or not acidified [es

  14. In-vitro studies of change in edge detection with changes in bone density

    International Nuclear Information System (INIS)

    Pocock, N.; Noakes, K.; Griffiths, M.

    1999-01-01

    Full text: Dual energy X-ray absorptiometry (DXA) requires edge detection software to identify the skeletal regions for quantitation of bone mineral density (BMD) and bone mineral content (BMC). As bone mass decreases, the detection of bone edges becomes more difficult and this potentially could cause errors in DXA estimations of areal BMD or BMC. To address this issue, we have used an in-vitro model to study the effects of 'bone loss' on calculated bone area, BMD and BMC. Multiple vertebral phantoms, of equal cross-sectional area but incrementally decreased areal BMD, were constructed using calcium sulphate hemihydrate. The weight of each phantom vertebra, measured accurately using an electronic balance, was used as an index of its true 'bone mass equivalent' (BME). The phantoms were scanned and analysed in the lumbar spine mode using a Lunar DPX-L (L) and Hologic QDR-1000 (H). The changes in BME were compared to changes in measured area, BMC and areal BMD. The results demonstrate that, in an in-vitro model, as bone mass decreases, measured bone area and consequently BMC will decrease as the edge detection algorithms have greater difficulty in detecting the true edges. In conclusion, in an in-vitro model, the DXA edge detection algorithms will underestimate bone area as bone mass decreases. This has potential implications for monitoring changes in bone mass in vivo

  15. Picosecond transient absorption study of photodissociated carboxy hemoglobin and myoglobin

    International Nuclear Information System (INIS)

    Janes, S.M.; Dalickas, G.A.; Eaton, W.A.; Hochstrasser, R.M.

    1988-01-01

    The optical transient absorption spectra at 30 ps and 6.5 ns after photolysis are compared for both carboxy hemoglobin (HbCO) and carboxy myoglobin (MbCO). Both 355- and 532-nm excitation pulses were used. In all cases the shapes of the optical difference spectra thus generated are stationary over the complete time-scale studied. The photolysis spectra for MbCO are not significantly different from the equilibrium difference spectra generated on the same picosecond spectrometer when measured to an accuracy of +/- 0.5 nm. In addition, spectral parameters for delegated HbCO generated on the same spectrometer but detected by two different techniques, either by a Vidicon detector or point by point with photomultiplier tubes, are reported; the results are different from some of the previously reported picosecond experiments

  16. Studying energy absorption in tapered thick walled tubes

    Directory of Open Access Journals (Sweden)

    P. Hosseini Tehrani

    Full Text Available In many engineering structures different energy absorption systems may be used to improve crashworthiness capability of the system and to control damages that may occur in a system during an accident. Therefore, extensive research has been done on the energy-absorbing cells. In this paper, energy absorption in tapered thick walled tubes has been investigated. As a practical case, studies have been focused on the crush element of Siemens ER24PC locomotive. To investigate performance of this part at collision time, it has been modeled in Abaqus software and its collision characteristics have been evaluated. Considering that the crash element is folded at time of collision, an analytical approach has been presented for calculation of instantaneous folding force under axial load. Basis of this method is definition and analysis of main folding mechanism and calculation of average folding force. This method has been used for validation of the results of numerical solution. Since sheet thickness of the crash element is high and may be ruptured at time of collision, some damage models have been used for numerical simulations. One of the three damage models used in this paper is available in the software and coding has been done for two other damage models and desirable damage model has been specified by comparing results of numerical solution with results of laboratory test. In addition, authenticity of the desirable damage model has been studied through ECE R 66 standard. To improve crashworthiness characteristic some attempts, such as use of metal foam and creation of trigger in suitable situations to reduce maximum force resulting from collision, have been performed. Finally though different simulation optimal crush element has been introduced and its performance and efficiency have been evaluated.

  17. Infrared absorption spectroscopic study of Nd substituted Zn–Mg ...

    Indian Academy of Sciences (India)

    Unknown

    20, 0⋅40, 0⋅60, 0⋅80 and 1⋅00; y = 0⋅00, 0⋅05 and 0⋅10) ferrites were prepared by standard ceramic method and characterized by X-ray diffraction, scanning electron microscopy and infrared absorption spectroscopy. Far infrared absorption.

  18. Gravimetric study on the western edge of the Rio de La Plata craton

    International Nuclear Information System (INIS)

    Rame, G; Miro, R

    2010-01-01

    This work is about the gravimetric study on the western edge of the Rio de la Plata craton which belongs to the Gondwana fragment in the south of Brazil, Uruguay and central eastern of Argentina. The work consisted of a survey of 332 gravimetric and topographic stations extended from the western edge of the Sierra Chica de Cordoba up to 200 km east on the pampas. The gravity values observed (gobs) were obtained using a LaCoste §Rom berg gravimeter G-961 and 200T Sodin both with 0.01 mGal, referred to IGSN71 (International Gravity Standardization Net 1971) network

  19. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites

    OpenAIRE

    Gandhiraman, Ram P.; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E.; Chen, Bin; Meyyappan, M.

    2014-01-01

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties...

  20. 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

  1. A comparative study on the edge states in phosphorene quantum dots and rings

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Z.T., E-mail: jiangzhaotan@bit.edu.cn; Liang, F.X.; Zhang, X.D.

    2017-01-30

    Using the tight-binding Hamiltonian approach, we comparatively investigate the energy spectrums of triangular zigzag phosphorene quantum dots (PQDs) and rings (PQRs), as well as their potential applications. In comparison with the outer edge states in the PQD, new extra inner edge states can be produced in the PQR by its internal hole. A transition from the uncoupled to coupled edge states can be induced by decreasing the width between the outer and inner edges of the PQR. Also, the edge states in PQD/PQR are all anisotropically localized in one side, rather than three sides as in triangular graphene quantum dots (QDs) and rings (QRs). Furthermore, the PQD/PQR energy levels can be anisotropically manipulated by the external electric fields and strains, clearly demonstrating their potential applications in field effect transistors or electromechanical devices. In the meanwhile, we also consider the electron probability distributions corresponding to the different energy levels, clearly exposing the characteristics of the PQD/PQR energy levels. The comparison between the asymmetrical triangular PQDs/PQRs and the symmetrical triangular QDs/QRs in graphene should be instructive for understanding the similar triangular QDs/QRs in other two-dimensional layered materials, as well as other types of QDs/QRs of different shapes. - Highlights: • We make a comparative study on the energy levels of the phosphorene quantum dots and rings. • The energy levels can be anisotropically controlled by the electric field and the strains, different from those in graphene counterparts. • The edge states in phosphorene triangular quantum dot and rings are anisotropic. • A helpful reference for understanding phosphorene nanostructures of other shapes and designing devices.

  2. Diurnal Variation and Spatial Distribution Effects on Sulfur Speciation in Aerosol Samples as Assessed by X-Ray Absorption Near-Edge Structure (XANES

    Directory of Open Access Journals (Sweden)

    Siwatt Pongpiachan

    2012-01-01

    Full Text Available This paper focuses on providing new results relating to the impacts of Diurnal variation, Vertical distribution, and Emission source on sulfur K-edge XANES spectrum of aerosol samples. All aerosol samples used in the diurnal variation experiment were preserved using anoxic preservation stainless cylinders (APSCs and pressure-controlled glove boxes (PCGBs, which were specially designed to prevent oxidation of the sulfur states in PM10. Further investigation of sulfur K-edge XANES spectra revealed that PM10 samples were dominated by S(VI, even when preserved in anoxic conditions. The “Emission source effect” on the sulfur oxidation state of PM10 was examined by comparing sulfur K-edge XANES spectra collected from various emission sources in southern Thailand, while “Vertical distribution effects” on the sulfur oxidation state of PM10 were made with samples collected from three different altitudes from rooftops of the highest buildings in three major cities in Thailand. The analytical results have demonstrated that neither “Emission source” nor “Vertical distribution” appreciably contribute to the characteristic fingerprint of sulfur K-edge XANES spectrum in PM10.

  3. COMPARATIVE STUDY OF EDGE BASED LSB MATCHING STEGANOGRAPHY FOR COLOR IMAGES

    Directory of Open Access Journals (Sweden)

    A.J. Umbarkar

    2016-02-01

    Full Text Available Steganography is a very pivotal technique mainly used for covert transfer of information over a covert communication channel. This paper proposes a significant comparative study of the spatial LSB domain technique that focuses on sharper edges of the color as well as gray scale images for the purpose of data hiding and hides secret message first in sharper edge regions and then in smooth regions of the image. Message embedding depends on content of the image and message size. The experimental results illustrate that, for low embedding rate the method hides the message in sharp edges of cover image to get better stego image visualization quality. For high embedding rate, smooth regions and edges of the cover image are used for the purpose of data hiding. In this steganography method, color image and textured kind of image preserves better visual quality of stego image. The novelty of the comparative study is that, it helps to analyze the efficiency and performance of the method as it gives better results because it directly works on color images instead of converting to gray scale image.

  4. Signal formation and active edge studies of 3D silicon detector technology

    CERN Document Server

    Kok, Angela

    3D detectors and devices with an ‘active edge’ were fabricated at the Stanford Nanofabrication Facility. Characteristics such as time response and edge sensitivity were studied. The induced signals from a 3D detector were studied using a fast, low-noise transimpedance amplifier. The rise time of the output signal obtained for a minimum ionising particle was faster than 4 ns at room temperature and 2 ns at 130K. This is in agreement with earlier calculations of 3D detectors that predicted the charge collection time to be between one to two ns. The first understanding of signal formation in a 3D detector was achieved by comparing measurements with a full system simulation. The differences in collection behaviour between electrons and holes were also understood and verified by measurement. Edge sensitivity was measured at the CERN SPS, using a high energy muon beam and a silicon telescope. The detector was measured to be efficient up to less than 4 μm from its physical edge. This confirmed that active edge ...

  5. Tape edge study in a linear tape drive with single-flanged guides

    International Nuclear Information System (INIS)

    Goldade, A.V.; Bhushan, Bharat

    2004-01-01

    Improved tape guiding and tape dimensional stability are essential for magnetic tape linear recoding formats to take advantage of vastly increased track density and thereby achieve higher storage capacities. Tape guiding is dependent on numerous parameters, such as type of the guides and tape path geometry, quality of virgin tape edge, drive operating parameters (e.g., tape speed and tape tension), mechanical properties of the tape, and tape geometry (e.g., cupping and curvature). The objective of the present study is to evaluate guiding and tribological performance of single-flanged guides with porous air bearings in a linear tape drive. A comparison of guiding performance of the dual flanged stationary guides and single-flanged guides with porous air bearings is performed. The effect of tape path geometry, drive operating conditions (speed and tension) and tape edge quality of factory-slit tapes on tape guiding are evaluated during short-term tests. A lateral force measurement technique is used to measure the force exerted by the tape edge on the guide flange. A technique for the lateral tape motion measurement is used to study the effect of continuous sliding on tape guiding. Wear tests up to 5000 cycles are conducted and coefficient of friction and lateral tape motion are monitored to study the effect of drive operating conditions (speed and tension), edge quality of factory-slit tapes and tape thickness on tape guiding. Optical microscopy, atomic force microscopy and scanning electron microscopy are employed to study and quantify the quality of tape edge

  6. Edge transport studies in the edge and scrape-off layer of the National Spherical Torus Experiment with Langmuir probes

    Energy Technology Data Exchange (ETDEWEB)

    Boedo, J. A., E-mail: jboedo@ucsd.edu; Rudakov, D. L. [University of California San Diego, 9500 Gilman Dr., La Jolla, California 92093 (United States); Myra, J. R.; D' Ippolito, D. A. [Lodestar Research Corp, 2400 Central Ave., Boulder, Colorado 80301 (United States); Zweben, S.; Maingi, R.; Maqueda, R. J.; Bell, R.; Kugel, H.; Leblanc, B.; Roquemore, L. A. [Princeton University, PO Box 451, Princeton, New Jersey 08543 (United States); Soukhanovskii, V. A. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Ahn, J. W.; Canik, J. [Oak Ridge National Laboratory, PO Box 2008, Oak Ridge, Tennessee 37830 (United States); Crocker, N. [University of California Los Angeles, PO Box 957099, Los Angeles, California 90095 (United States)

    2014-04-15

    Transport and turbulence profiles were directly evaluated using probes for the first time in the edge and scrape-off layer (SOL) of NSTX [Ono et al., Nucl. Fusion 40, 557 (2000)] in low (L) and high (H) confinement, low power (P{sub in}∼ 1.3 MW), beam-heated, lower single-null discharges. Radial turbulent particle fluxes peak near the last closed flux surface (LCFS) at ≈4×10{sup 21} s{sup −1} in L-mode and are suppressed to ≈0.2×10{sup 21} s{sup −1} in H mode (80%–90% lower) mostly due to a reduction in density fluctuation amplitude and of the phase between density and radial velocity fluctuations. The radial particle fluxes are consistent with particle inventory based on SOLPS fluid modeling. A strong intermittent component is identified. Hot, dense plasma filaments 4–10 cm in diameter, appear first ∼2 cm inside the LCFS at a rate of ∼1×10{sup 21} s{sup −1} and leave that region with radial speeds of ∼3–5 km/s, decaying as they travel through the SOL, while voids travel inward toward the core. Profiles of normalized fluctuations feature levels of 10% inside LCFS to ∼150% at the LCFS and SOL. Once properly normalized, the intermittency in NSTX falls in similar electrostatic instability regimes as seen in other devices. The L-H transition causes a drop in the intermittent filaments velocity, amplitude and number in the SOL, resulting in reduced outward transport away from the edge and a less dense SOL.

  7. Study of Cr(VI) adsorption onto magnetite nanoparticles using synchrotron-based X-ray absorption spectroscopy

    Science.gov (United States)

    Chen, Yen-Hua; Liu, Dian-Yu; Lee, Jyh-Fu

    2018-04-01

    In this study, the efficiency of Cr(VI) adsorption onto nano-magnetite was examined by batch experiments, and the Cr(VI) adsorption mechanism was investigated using synchrotron-based X-ray absorption spectroscopy. Magnetite nanoparticles with a mean diameter of 10 nm were synthesized using an inexpensive and simple co-precipitation method. It shows a saturation magnetization of 54.3 emu/g, which can be recovered with an external magnetic field. The adsorption data fitted the Langmuir adsorption isotherm well, implying a monolayer adsorption behavior of Cr(VI) onto nano-magnetite. X-ray absorption spectroscopy results indicate that the adsorption mechanism involves electron transfer between Fe(II) in nano-magnetite (Fe2+OFe3+ 2O3) and Cr(VI) to transform into Cr(III), which may exist as an Fe(III)-Cr(III) mixed solid phase. Moreover, the Cr(III)/Cr(VI) ratio in the final products can be determined by the characteristic pre-edge peak area of Cr(VI) in the Cr K-edge spectrum. These findings suggest that nano-magnetite is effective for Cr(VI) removal from wastewater because it can transform highly poisonous Cr(VI) species into nontoxic Cr(III) compounds, which are highly insoluble and immobile under environmental conditions.

  8. Using Edge Voxel Information to Improve Motion Regression for rs-fMRI Connectivity Studies.

    Science.gov (United States)

    Patriat, Rémi; Molloy, Erin K; Birn, Rasmus M

    2015-11-01

    Recent fMRI studies have outlined the critical impact of in-scanner head motion, particularly on estimates of functional connectivity. Common strategies to reduce the influence of motion include realignment as well as the inclusion of nuisance regressors, such as the 6 realignment parameters, their first derivatives, time-shifted versions of the realignment parameters, and the squared parameters. However, these regressors have limited success at noise reduction. We hypothesized that using nuisance regressors consisting of the principal components (PCs) of edge voxel time series would be better able to capture slice-specific and nonlinear signal changes, thus explaining more variance, improving data quality (i.e., lower DVARS and temporal SNR), and reducing the effect of motion on default-mode network connectivity. Functional MRI data from 22 healthy adult subjects were preprocessed using typical motion regression approaches as well as nuisance regression derived from edge voxel time courses. Results were evaluated in the presence and absence of both global signal regression and motion censoring. Nuisance regressors derived from signal intensity time courses at the edge of the brain significantly improved motion correction compared to using only the realignment parameters and their derivatives. Of the models tested, only the edge voxel regression models were able to eliminate significant differences in default-mode network connectivity between high- and low-motion subjects regardless of the use of global signal regression or censoring.

  9. Experimental study of contact edge roughness on sub-100 nm various circular shapes

    Science.gov (United States)

    Lee, Tae Y.; Ihm, Dongchul; Kang, Hyo C.; Lee, Jum B.; Lee, Byoung H.; Chin, Soo B.; Cho, Do H.; Song, Chang L.

    2005-05-01

    The measurement of edge roughness has become a hot issue in the semiconductor industry. Especially the contact roughness is being more critical as design rule shrinks. Major vendors offer a variety of features to measure the edge roughness in their CD-SEMs. For the line and space patterns, features such as Line Edge Roughness (LER) and Line Width Roughness (LWR) are available in current CD-SEMs. However the features currently available in commercial CD-SEM cannot provide a proper solution in monitoring the contact roughness. We had introduced a new parameter R, measurement algorithm and definition of contact edge roughness to quantify CER and CSR in previous paper. The parameter, R could provide an alternative solution to monitor contact or island pattern roughness. In this paper, we investigated to assess optimum number of CD measurement (1-D) and fitting method for CER or CSR. The study was based on a circular contact shape. Some new ideas to quantify CER or CSR were also suggested with preliminary experimental results.

  10. 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

  11. Comparative study of five varieties of spodumene through optical absorption

    International Nuclear Information System (INIS)

    Fujii, A.T.; Isotani, S.

    1983-11-01

    A comparative study of five varieties of spodumene crystals from Brazil through optical absorption spectroscopy, classified according to the colours lylac, colourless I, colourless II, yellow and green is reported. This series shows a consistent increase of the [Fe]/[Mn] ratio. The principal bands in the yellow sample are at 7,000 and 9,000 cm -1 , and in the green sample besides these bands a band at 16,000 cm -1 is observed. In lylac, colourless I and colourless II samples, the principal bands are at 18,000 cm -1 and when irradiated two new bands appears at 15,700 cm -1 (E perpendicular to c) and 11,000 cm -1 (K perpendicular to c). It is suggested that in green and yellow samples the bands are due to Fe 2+ (at 7,000 cm -1 and 9,000 cm -1 ) and due to Fe 2+ - Fe 3+ charge transfer (at 16,000 cm -1 ). In lylac and colourless I samples the model for Mn 3+ at two different sites is applied. The colourless II corresponds to the case in which Mn 3+ is at one site alone, being prohibited from occupying the second site due to higher Fe concentration. (Author) [pt

  12. Use of a standard meal to study iron absorption in humans

    International Nuclear Information System (INIS)

    Reddy, M.B.; Cook, J.D.

    1994-01-01

    Iron absorption varies widely between subjects and groups of subjects because of differences in iron status which markedly influence iron assimilation from the gastrointestinal tract. A small dose of isotopically labelled inorganic iron termed the reference dose (3 mg iron as FeSO 4 ) has been used extensively during the past two decades to standardize food iron absorption in human subjects and thereby eliminate the effect of differences in iron status. Recent studies from this laboratory have shown that because of the high variability of absorption from the reference dose, nonheme iron absorption from a standardized meal provides a more reliable means of standardizing absorption from regional diets. We therefore performed initial studies with a rice based meal but we found a relatively high variation in absorption from 2.0 to 4.7% that presumably reflects differences in the phytate content of rice fours. We then undertook the evaluation of meals prepared with farina, a wheat product that is available in most regions of the world. In six different studies from a farina based meal, iron absorption ranged from 3.4 to 6.5%. Nonheme iron absorption from the farina meal when evaluated in separate laboratories extensively engaged in human studies of iron absorption, ranged from 5.1 to 10.8% but when related to the FeSO 4 dose, a more consistent ratio between 0.21 to 0.26 was observed with the exception of one laboratory where a very low absorption of 1.1.% was observed. Percentage absorption from the farina based meal decreased when the iron content of the meal was increased and showed the expected facilitation of absorption when increasing amounts of ascorbic acid were added. By reducing variability and measuring iron absorption from food rather than inorganic iron, we believe that the use of this standard meal will facilitate comparison of iron absorption data obtained in laboratories throughout the world. 4 refs, 2 tabs

  13. SEARCHING FOR URBAN PATTERNS; AN ASSESSMENT OF HISTORIC EDGES AND ITS SURROUNDING CONTEXT: HISTORIC CAIRO AS A CASE STUDY

    Directory of Open Access Journals (Sweden)

    Nabil Mohareb

    2016-07-01

    Full Text Available This paper analyzes the urban edges of historic cities. Managing these edges would enhance the success of any intervention projects inside the historic fabric. The paper develops and tests a method of analytical assessment framework that is applicable for quantitative analysis within an urban edge. It is capable of measuring micro and macro levels of analysis of historic urban edges with reference to their spatial configuration. In addition, the paper searches for repetitive spatial configuration patterns. The main case study is Historic Cairo. The paper reveals that there are apparent patterns of cause and effect of both spatial configurations and related activities along the urban edges, forming different type of barriers. The paper discovers the repetitive spatial, architectural, and land-use patterns that exist on various edges. These patterns enable the possibility of learning and acquiring from other successful interventions that have been applied to similar patterns, without being limited to cultural or contextual differences.

  14. X-ray absorption near-edge structure in alpha-quartz and stishovite: Ab initio calculation with core - hole interaction

    International Nuclear Information System (INIS)

    Mo, Shang-Di; Ching, W. Y.

    2001-01-01

    Ab initio calculation of the XANSE/ELNES spectra for α quartz and stishovite were carried out using a large-supercell approach that includes the electron - core - hole interaction. Excellent agreements with experimental spectra were obtained for Si - K, Si - L 2,3 , and O - K edges. The usual interpretation using orbital-resolved local density of states in the conduction band is unsatisfactory. [copyright] 2001 American Institute of Physics

  15. Doped holes in edge-shared CuO.sub.2./sub. chains and the dynamic spectral weght transfer in X-ray absorption spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Hu, Z.; Drechsler, S.L.; Málek, Jiří; Rosner, H.; Neudert, R.; Knupper, M.; Golden, M. S.; Fink, J.; Karpinski, J.; Kaindl, G.

    2002-01-01

    Roč. 59, č. 1 (2002), s. 135-141 ISSN 0295-5075 Institutional research plan: CEZ:AV0Z1010914 Keywords : X-ray absorption spectra * strongly correlated electron systems * heavy fermions * many-electron systems Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.360, year: 2002

  16. X-ray absorption spectroscopy study on the thermal and hydrazine reduction of graphene oxide

    International Nuclear Information System (INIS)

    Liang, Xianqing; Wang, Yu; Zheng, Huiyuan; Wu, Ziyu

    2014-01-01

    Highlights: • XAS study of GO and reduced GO was performed. • Detailed evolution of the electronic structures and chemical bonding of GO was revealed. • A new efficient route for the reduction of GO is proposed. - Abstract: X-ray absorption spectroscopy (XAS) was applied to systemically investigate the deoxygenation of graphene oxide (GO) via annealing and hydrazine treatment. Detailed evolution of the electronic structures and chemical bonding of GO was presented. The enhanced intensity of π * resonance and the appearance of splitting σ * resonance in C K-edge XAS spectra suggest high extents of recoveries of π-conjugation upon reduction using thermal annealing or hydrazine. Experimental results revealed that the carboxyl as well as epoxide and hydroxyl groups on the surface of GO were thermally reduced first, followed by the more difficult removal of carbonyl and cyclic ether groups at higher temperatures. The hydrazine reduction could remove epoxide, hydroxyl and carboxyl groups effectively, whereas the carbonyl groups were partially reduced with the incorporation of nitrogen species simultaneously. The residual oxygen functional groups on hydrazine-reduced GO could be further removed after modest thermal annealing. It was proposed that a combination of both types of reductions would give the best deoxygenation efficiency for the production of graphene

  17. Zinc absorption study using an enriched stable isotope (70Zn)

    International Nuclear Information System (INIS)

    Li Gongpan.

    1990-04-01

    A weaning food from fermented soybean was prepared for increasing the bioavailability of zinc. The zinc absorption was compared with that of a weaning food from non-fermented soybean and normal staple food. A stable isotope tracer technique ( 70 Zn) and neutron activation were used for determining the absorption of zinc. Nine children aged 7 to 18 months were tested. Zinc bioavailability of weaning food from fermented soybean is higher than that of normal weaning food. The weight increment and zinc nutrition of children having weaning food from fermented soybean are improved by this diet. 5 tabs

  18. A novel multiplex absorption spectrometer for time-resolved studies

    Science.gov (United States)

    Lewis, Thomas; Heard, Dwayne E.; Blitz, Mark A.

    2018-02-01

    A Time-Resolved Ultraviolet/Visible (UV/Vis) Absorption Spectrometer (TRUVAS) has been developed that can simultaneously monitor absorption at all wavelengths between 200 and 800 nm with millisecond time resolution. A pulsed photolysis laser (KrF 248 nm) is used to initiate chemical reactions that create the target species. The absorption signals from these species evolve as the composition of the gas in the photolysis region changes over time. The instrument can operate at pressures over the range ˜10-800 Torr and can measure time-resolved absorbances systems (in particular the Herriott cell), there are fundamental differences, most notably the ability to adjust each mirror to maximise the overlap between the probe beam and the photolysis laser. Another feature which aids the sensitivity and versatility of the system is the use of 2 high-throughput spectrographs coupled with sensitive line-array CCDs, which can measure absorbance from ˜200 to 800 nm simultaneously. The capability of the instrument is demonstrated via measurements of the absorption spectrum of the peroxy radical, HOCH2CH2O2, and its self-reaction kinetics.

  19. Microwave absorption studies of MgB2 superconductor

    Indian Academy of Sciences (India)

    band (9–. 10 GHz) spectrometer. Both polycrystalline pellet and single-grain MgB2, having nearly the same Tc (∼ 39 K) and same size (3×2×1 mm3), were used in the present investigations. Low field modulated microwave absorption signals ...

  20. A study for the improvement on knife-edge-type metal-seal flange

    International Nuclear Information System (INIS)

    Obara, Kenjiro; Nakamura, Kazuyuki; Murakami, Yoshio; Naganuma, Masamitsu; Kitamura, Kazunori; Uchida, Takao; Kondo, Mitsunori.

    1989-01-01

    Present paper describes the performance characteristics of the knife-edge-type metal-seal flange. The aim of the study is to try to make efficient the combination function of flange. Parameters on improved flange are smaller than that of conventional flange as follows; -number of bolt: 1/2∼1/3, tightness torque: 3/5, flange thickness: 7/10. (author)

  1. In situ analysis of the Zn(S,O) buffer layer preparation for chalcopyrite solar cells by Zn L-edge X-ray absorption spectroscopy.

    Science.gov (United States)

    Lauermann, Iver; Kropp, Timo; Vottier, Damien; Ennaoui, Ahmed; Eberhardt, Wolfgang; Aziz, Emad F

    2009-02-23

    Bridging the gap between high-vacuum soft X-ray absorption spectroscopy and real systems under ambient conditions probes chemical reactions in situ during deposition and annealing processes. The origin of highly efficient buffer layers in Zn(S,O) is the complex formation between Zn(2+) and the S=C group of thiourea (see schematic), which allows ligand-to-metal and metal-to-ligand charge transfer (LMCT and MLCT).

  2. Case Studies of Leading Edge Small Urban High Schools. Relevance Strategic Designs: 5. Life Academy of Health and Bioscience

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  3. Case Studies of Leading Edge Small Urban High Schools. Relevance Strategic Designs: 8. High Tech High School

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  4. Case Studies of Leading Edge Small Urban High Schools. Personalization Strategic Designs: 9. MetWest High School

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  5. Case Studies of Leading Edge Small Urban High Schools. Relevance Strategic Designs: 7. TechBoston Academy

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  6. Case Studies of Leading Edge Small Urban High Schools. Core Academic Strategic Designs: 3. University Park Campus School

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  7. Case Studies of Leading Edge Small Urban High Schools. Core Academic Strategic Designs: 1. Academy of the Pacific Rim

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  8. Case Studies of Leading Edge Small Urban High Schools. Core Academic Strategic Designs: 2. Noble Street Charter High School

    Science.gov (United States)

    Shields, Regis Anne; Ireland, Nicole; City, Elizabeth; Derderian, Julie; Miles, Karen Hawley

    2008-01-01

    This report is one of nine detailed case studies of small urban high schools that served as the foundation for the Education Resource Strategies (ERS) report "Strategic Designs: Lessons from Leading Edge Small Urban High Schools." These nine schools were dubbed "Leading Edge Schools" because they stand apart from other high…

  9. Study of plasma discharge evolution and edge turbulence with fast visible imaging in the Aditya tokamak

    International Nuclear Information System (INIS)

    Banerjee, Santanu; Manchanda, R.; Chowdhuri, M.B.

    2015-01-01

    Study of discharge evolution through the different phases of a tokamak plasma shot viz., the discharge initiation, current ramp-up, current flat-top and discharge termination, is essential to address many inherent issues of the operation of a Tokamak. Fast visible imaging of the tokamak plasma can provide valuable insight in this regard. Further, edge turbulence is considered to be one of the quintessential areas of tokamak research as the edge plasma is at the immediate vicinity of the plasma core and plays vital role in the core plasma confinement. The edge plasma also bridges the core and the scrape off layer (SOL) of the tokamak and hence has a bearing on the particle and heat flux escaping the plasma column. Two fast visible imaging systems are installed on the Aditya tokamak. One of the system is for imaging the plasma evolution with a wide angle lens covering a major portion of the vacuum vessel. The imaging fiber bundle along with the objective lens is installed inside a radial re-entrant viewport, specially designed for the purpose. Another system is intended for tangential imaging of the plasma column. Formation of the plasma column and its evolution are studied with the fast visible imaging in Aditya. Features of the ECRH and LHCD operations on Aditya will be discussed. 3D filaments can, be seen at the plasma edge all along the discharge and they get amplified in intensity at the plasma termination phase. Statistical analysis of these filaments, which are essentially plasma blobs will be presented. (author)

  10. Photo absorption studies of polyatomic molecules using Indus 1 synchrotron radiation source

    International Nuclear Information System (INIS)

    Saraswathy, P.; Sunanda, K.; Aparna, S.; Rajashekar, B.N.; Das, N.C.

    2004-06-01

    The Photophysics beamline is a medium resolution beamline designed for carrying out photo absorption and fluorescence experiments using the synchrotron radiation source Indus-l. This beamline has been commissioned recently and is in operation. An experimental setup for gas phase absorption studies has been developed and installed. Absorption spectra of a few polyatomicmolecules viz. benzene, ammonia, carbon disulphide and acetone were recorded in the wavelength region 1500 -3000 A. The results from this study indicated the satisfactory performance of the beam line as well as the experimental setup. Details of the first set of absorption experiments carried out are discussed in this report. (author)

  11. Continued studies of the gastrointestinal absorption of plutonium by rodents

    International Nuclear Information System (INIS)

    Larsen, R.P.; Bhattacharyya, M.H.; Oldham, R.D.; Moretti, E.S.; Spaletto, M.I.

    1982-01-01

    In the mouse the gastrointestinal absorption of hexavalent plutonium (the form present in chlorinated drinking water) is (1) a factor of about ten lower in the fed animal than in the fasted one (0.015 vs 0.15%), (2) independent of plutonium concentration over a range that broadly brackets the MPC for plutonium in drinking water, and (3) independent of the time of day the solution is administered to fasted animals. Other factors related to the determination of G.I. absorption which have been investigated are: (1) the adsorption of plutonium onto teeth of animals during both gavage and ad libitum administrations, (2) the formation of polymeric tetravalent plutonium during and subsequent to solution preparation, and (3) the relationship between the metabolic behavior of plutonium solutions, administered both intragastrically and intravenously, and their ultrafilterability

  12. 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.

  13. Study on hydrogen absorption/desorption properties of uranium alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Hiroshi; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.

    1996-10-01

    Hydrogen absorption/desorption properties of two U-Mn intermetallic compounds, U{sub 6}Mn and UMn{sub 2}, were investigated. U{sub 6}Mn absorbed hydrogen and the hydrogen desorption pressure of U{sub 6}Mn obtained from this experiment was higher than that of U, which was considered to be the effect of alloying, whereas UMn{sub 2} was not observed to absorb hydrogen up to 50 atm at room temperature. (author)

  14. Optical absorption and electron spin resonance studies of Cu in ...

    Indian Academy of Sciences (India)

    Unknown

    Na2O–50B2O3–10As2O3 glasses. In this paper, we report the ESR and optical absorption spectra of Cu2+ ions in xLi2O–(40 – x)Na2O–50B2O3–. 10As2O3 glasses. The values of x were adjusted so that the compositional parameter defined as ...

  15. Two-dimensional numerical study of ELMs-induced erosion of tungsten divertor target tiles with different edge shapes

    International Nuclear Information System (INIS)

    Huang, Yan; Sun, Jizhong; Hu, Wanpeng; Sang, Chaofeng; Wang, Dezhen

    2016-01-01

    Highlights: • Thermal performance of three edge-shaped divertor tiles was assessed numerically. • All the divertor tiles exposed to type-I ELMs like ITER's will melt. • The rounded edge tile thermally performs the best in all tiles of interest. • The incident energy flux density was evaluated with structural effects considered. - Abstract: Thermal performance of the divertor tile with different edge shapes was assessed numerically along the poloidal direction by a two-dimensional heat conduction model with considering the geometrical effects of castellated divertor tiles on the properties of its adjacent plasma. The energy flux density distribution arriving at the castellated divertor tile surface was evaluated by a two-dimension-in-space and three-dimension-in-velocity particle-in-cell plus Monte Carlo Collisions code and then the obtained energy flux distribution was used as input for the heat conduction model. The simulation results showed that the divertor tiles with any edge shape of interest (rectangular edge, slanted edge, and rounded edge) would melt, especially, in the edge surface region of facing plasma poloidally under typical heat flux density of a transient event of type-I ELMs for ITER, deposition energy of 1 MJ/m"2 in a duration of 600 μs. In comparison with uniform energy deposition, the vaporizing erosion was reduced greatly but the melting erosion was aggravated noticeably in the edge area of plasma facing diveror tile. Of three studied edge shapes, the simulation results indicated that the divertor plate with rounded edge was the most resistant to the thermal erosion.

  16. Pneumatic artificial muscles for trailing edge flap actuation: a feasibility study

    Science.gov (United States)

    Woods, Benjamin K. S.; Kothera, Curt S.; Sirohi, Jayant; Wereley, Norman M.

    2011-10-01

    In this study a novel aircraft trailing edge flap actuation system was developed and tested. Pneumatic artificial muscles (PAMs) were used as the driving elements of this system to demonstrate their feasibility and utility as an alternative aerospace actuation technology. A prototype flap/actuator system was integrated into a model wing section and tested on the bench-top under simulated airloads for flight at 100 m s-1 (M = 0.3) and in an open-jet wind tunnel at free stream velocities ranging up to 45 m s-1 (M = 0.13). Testing was performed for actuator pressures ranging from 0.069 to 0.62 MPa (10-90 psi) and actuation frequencies from 0.1 to 31 Hz. Results show that the PAM-driven trailing edge flap system can generate substantial and sustainable dynamic deflections, thereby proving the feasibility of using pneumatic artificial muscle actuators in a trailing edge flap system. Key issues limiting system performance are identified, that should be resolved in future research.

  17. Ab initio study of interaction of helium with edge and screw dislocations in tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Bakaev, Alexander, E-mail: bakaev_vic@mail.ru [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol 2400 (Belgium); Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, Peter the Great St. Petersburg Polytechnic University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation); Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstrasse 400, 01328 Dresden (Germany); Terentyev, Dmitry [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol 2400 (Belgium); Grigorev, Petr [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol 2400 (Belgium); Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, Peter the Great St. Petersburg Polytechnic University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation); Ghent University, Applied Physics EA17 FUSION-DC, St. Pietersnieuwstraat, 41 B4, B-9000 Gent (Belgium); Posselt, Matthias [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstrasse 400, 01328 Dresden (Germany); Zhurkin, Evgeny E. [Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnology and Telecommunications, Peter the Great St. Petersburg Polytechnic University, 29 Polytekhnicheskaya str., 195251 St. Petersburg (Russian Federation)

    2017-02-15

    Highlights: • Both screw (SD) and edge dislocations (ED) offer trapping sites for He in tungsten. • He atom is attracted to SD and ED with the interaction energy of ~1.3 and ~3.0 eV, respectively. • The attraction of He to dislocations can contribute to the nucleation of He clusters at high T. - Abstract: The interaction of a single He atom with edge and screw dislocations in tungsten has been studied using ab initio calculations. It was revealed that He is strongly attracted to the core of both dislocations with the interaction energy of −1.3 and −3.0 eV for screw and edge dislocations, respectively, which corresponds to the detrapping temperature in thermal desorption spectroscopy experiments of about 500 K and 1050 K, respectively. The lowest energy positions for He around the dislocation cores are identified and the atomic structures are rationalized on the basis of elasticity theory considerations. Both types of dislocations exhibit a higher binding energy for He as compared to the He-He binding (known as self-trapping) and are weaker traps as compared to a single vacancy. It is, thus, concluded that the strong attraction to dislocation lines can contribute to the nucleation of He clusters in the temperature range which already excludes He self-trapping.

  18. Pneumatic artificial muscles for trailing edge flap actuation: a feasibility study

    International Nuclear Information System (INIS)

    Woods, Benjamin K S; Wereley, Norman M; Kothera, Curt S; Sirohi, Jayant

    2011-01-01

    In this study a novel aircraft trailing edge flap actuation system was developed and tested. Pneumatic artificial muscles (PAMs) were used as the driving elements of this system to demonstrate their feasibility and utility as an alternative aerospace actuation technology. A prototype flap/actuator system was integrated into a model wing section and tested on the bench-top under simulated airloads for flight at 100 m s −1 (M = 0.3) and in an open-jet wind tunnel at free stream velocities ranging up to 45 m s −1 (M = 0.13). Testing was performed for actuator pressures ranging from 0.069 to 0.62 MPa (10–90 psi) and actuation frequencies from 0.1 to 31 Hz. Results show that the PAM-driven trailing edge flap system can generate substantial and sustainable dynamic deflections, thereby proving the feasibility of using pneumatic artificial muscle actuators in a trailing edge flap system. Key issues limiting system performance are identified, that should be resolved in future research

  19. Blind deblurring of spiral CT images - comparative studies on edge-to-noise ratios

    International Nuclear Information System (INIS)

    Jiang Ming; Wan Ge; Skinner, Margaret W.; Rubinstein, Jay T.; Vannier, Michael W.

    2002-01-01

    A recently developed blind deblurring algorithm based on the edge-to-noise ratio has been applied to improve the quality of spiral CT images. Since the discrepancy measure used to quantify the edge and noise effects is not symmetric, there are several ways to formulate the edge-to-noise ratio. This article is to investigate the performance of those ratios with phantom and patient data. In the phantom study, it is shown that all the ratios share similar properties, validating the blind deblurring algorithm. The image fidelity improvement varies from 29% to 33% for different ratios, according to the root mean square error (RMSE) criterion; the optimal iteration number determined for each ratio varies from 25 to 35. Those ratios that are associated with most satisfactory performance are singled out for the image fidelity improvement of about 33% in the numerical simulation. After automatic blind deblurring with the selected ratios, the spatial resolution of CT is substantially refined in all the cases tested

  20. Ab initio study of interaction of helium with edge and screw dislocations in tungsten

    International Nuclear Information System (INIS)

    Bakaev, Alexander; Terentyev, Dmitry; Grigorev, Petr; Posselt, Matthias; Zhurkin, Evgeny E.

    2017-01-01

    Highlights: • Both screw (SD) and edge dislocations (ED) offer trapping sites for He in tungsten. • He atom is attracted to SD and ED with the interaction energy of ~1.3 and ~3.0 eV, respectively. • The attraction of He to dislocations can contribute to the nucleation of He clusters at high T. - Abstract: The interaction of a single He atom with edge and screw dislocations in tungsten has been studied using ab initio calculations. It was revealed that He is strongly attracted to the core of both dislocations with the interaction energy of −1.3 and −3.0 eV for screw and edge dislocations, respectively, which corresponds to the detrapping temperature in thermal desorption spectroscopy experiments of about 500 K and 1050 K, respectively. The lowest energy positions for He around the dislocation cores are identified and the atomic structures are rationalized on the basis of elasticity theory considerations. Both types of dislocations exhibit a higher binding energy for He as compared to the He-He binding (known as self-trapping) and are weaker traps as compared to a single vacancy. It is, thus, concluded that the strong attraction to dislocation lines can contribute to the nucleation of He clusters in the temperature range which already excludes He self-trapping.

  1. Study on edge plasma physics and particle control in the Heliotron-E device

    Energy Technology Data Exchange (ETDEWEB)

    Mizuuchi, T; Obiki, T; Noda, N; Matsuura, H; Kondo, K; Akaishi, K; Motojima, O; Kaneko, H; Zushi, H; Takeiri, Y

    1989-04-01

    The edge plasma physics and the particle control under the intrinsic magnetic limiter configuration of a helical system have been studied with the Heliotron-E device, where currentless plasmas of T/sub e//le/1-2 keV, T/sub i//le/1 keV and anti n/sub e//le/2x10/sup 20//m/sup 3/ are produced by a combination of ECRH, NBI and/or ICRH. It is indicated that the separatrix region of the heliotron device is able to act as a divertor magnetic field. According to calculations of the magnetic field line in the edge region, the separatrix region has some different characteristics from the scrape-off layer in tokamak devices; the existence of a fine structure in the separatrix region and asymmetry of the region in toroidal and poloidal directions are observed. A localized pattern of the heat load on the first wall is experimentally observed. This agrees with the heat-load profile expected from the magnetic configuration and the distribution of the plasma in the edge region. A carbonization of the first wall is successfully applied to the Heliotron E device for reduction of metallic impurity contents. The heat load at the divertor trace decreased and that on the other part of the first wall increased in the high recycling conditions after the carbonization. (orig.).

  2. 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)

  3. Studies on the red absorption band of chlorophyll a in vivo

    NARCIS (Netherlands)

    Thomas, J.B.; Kleinen Hammans, J.W.; Arnolds, W.J.

    1965-01-01

    It was studied whether certain earlier observed weak shoulders on the red absorption band of chlorophyll a in vivo might represent anomalies due to overlap of absorption bands. The results are suggested of the fact that no such anomalies occur. It is therefore concluded that the present study

  4. Studies on the absorption and excretion of arsenic in test animals

    International Nuclear Information System (INIS)

    Mikulski, J.; Walczak, Z.; Politowski, M.

    1980-01-01

    The partition of arsenous compounds in cats between blood, lymph and urine has been studied by the isotopic method. The rate of poison absorption from the intestinal tract and poison excretion with urine have also been investigated. It was found that arsenic is evenly distributed between blood and lymph, but its concentration in urine is about 100 times larger. The rate of arsenic absorption is very high - the absorption time is of the order of minutes and the absorption is shortly followed by the appearance of arsenic in urine. (author)

  5. Effects of substrate anisotropy and edge diffusion on submonolayer growth during molecular beam epitaxy: A Kinetic Monte Carlo study

    International Nuclear Information System (INIS)

    Devkota, J.; Shrestha, S.P.

    2007-12-01

    We have performed Kinetic Monte Carlo simulation work to study the effect of diffusion anisotropy, bonding anisotropy and edge diffusion on island formation at different temperatures during the sub-monolayer film growth in Molecular Beam Epitaxy. We use simple cubic solid on solid model and event based Bortz, Kalos and Labowitch (BKL) algorithm on the Kinetic Monte Carlo method to simulate the physical phenomena. We have found that the island morphology and growth exponent are found to be influenced by substrate anisotropy as well as edge diffusion, however they do not play a significant role in island elongation. The growth exponent and island size distribution are observed to be influenced by substrate anisotropy but are negligibly influenced by edge diffusion. We have found fractal islands when edge diffusion is excluded and compact islands when edge diffusion is included. (author)

  6. 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.

  7. Adsorption of 3,4-ethylenedioxythiophene (EDOT) on noble metal surfaces: A photoemission and X-ray absorption study

    International Nuclear Information System (INIS)

    Pasquali, L.; Terzi, F.; Montecchi, M.; Doyle, B.P.; Lukkari, J.; Zanfrognini, B.; Seeber, R.; Nannarone, S.

    2009-01-01

    The adsorption of 3,4-ethylenedioxythiophene (EDOT) on Au and Pt surfaces is studied by core level and valence band photoemission using synchrotron radiation and by near edge X-ray absorption spectroscopy. To closer simulate real applications, the films are grown from aqueous solution at room temperature and are compared to an 'ideal' film prepared by dosing the molecules from the vapour phase on a clean Au(1 1 1) single crystal. The S 2p, C 1s and O 1s levels show multiple components which are associated to molecular fragmentation. NEXAFS confirms that fragmentation takes place at the surface. Thiophene species as well as alkyl chains and S n species are identified as the most probable fragmentation products.

  8. K- and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory.

    Science.gov (United States)

    Fransson, Thomas; Burdakova, Daria; Norman, Patrick

    2016-05-21

    X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory. It is demonstrated that a reliable description of relativistic effects is obtained at both K- and L-edges. Notably, an excellent agreement with experimental results is obtained for L2,3-spectra-with spin-orbit effects well accounted for-also in cases when the experimental intensity ratio deviates from the statistical one of 2 : 1. The theoretical results are consistent with calculations using standard response theory as well as recently reported real-time propagation methods in time-dependent density functional theory, and the virtues of different approaches are discussed. As compared to silane and silicon tetrachloride, an anomalous error in the absolute energy is reported for the L2,3-spectrum of silicon tetrafluoride, amounting to an additional spectral shift of ∼1 eV. This anomaly is also observed for other exchange-correlation functionals, but it is seen neither at other silicon edges nor at the carbon K-edge of fluorine derivatives of ethene. Considering the series of molecules SiH4-XFX with X = 1, 2, 3, 4, a gradual divergence from interpolated experimental ionization potentials is observed at the level of Kohn-Sham density functional theory (DFT), and to a smaller extent with the use of Hartree-Fock. This anomalous error is thus attributed partly to difficulties in correctly emulating the electronic structure effects imposed by the very electronegative fluorines, and partly due to inconsistencies in the spurious electron self-repulsion in DFT. Substitution with one, or possibly two, fluorine atoms is estimated to yield small enough errors to allow for reliable interpretations and predictions of L2,3-spectra of more complex and extended silicon-based systems.

  9. X-ray absorption spectroscopy: EXAFS and XANES - A versatile tool to study the atomic and electronic structure of materials

    International Nuclear Information System (INIS)

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

    1990-01-01

    X-ray absorption spectroscopy (XAS) had been an essential tool to gather spectroscopic information about atomic energy level structure in the early decades of this century. The correct interpretation of the oscillatory structure in the x-ray absorption cross-section above the absorption edge has transformed XAS from a spectroscopic tool to a structural technique. EXAFS (Extended X-ray Absorption Fine Structure) yields information about the interatomic distances, near neighbor coordination numbers, and lattice dynamics. XANES (X-ray Absorption Near Edge Structure), on the other hand, gives information about the valence state, energy bandwidth and bond angles. Today, there are about 50 experimental stations in various synchrotrons around the world dedicated to collecting x-ray absorption data from the bulk and surfaces of solids and liquids. In this chapter, they will give the basic principles of XAS, explain the information content of essentially two different aspects of the absorption process leading to EXAFS and XANES, and discuss the source and sample limitations

  10. Edge and Core Impurity Transport Study with Spectroscopic Instruments in LHD

    International Nuclear Information System (INIS)

    Morita, Shigeru; Goto, Motoshi; Kobayashi, Masahiro; Muto, Sadatsugu; Chowdhuri, Malay Bikas; Chunfeng, Dong; Hangyu, Zhou; Zhengying, Cui; Fujii, Keisuke; Hasuo, Masahiro; Iwamae, Atsushi; Furuzawa, Akihiro; Sakurai, Ikuya; Tawara, Yuzuru; Yinxian, Jie; Baonian, Wan; Zhenwei, Wu; Koubiti, Mohammed; Yamaguchi, Naohiro

    2009-01-01

    Impurity transport was investigated at both edge and core regions in large helical device (LHD) with developed spectroscopic instruments which can measure one- and two-dimensional distributions of impurities. The edge impurity behavior was studied recently using four carbon resonant transitions in different ionization stages of CIII (977A), CIV (1548A), CV (40.3A) and CVI (33.7A). When the line-averaged electron density, n e , is increased from 1 to 6 x 10 13 cm -3 , the ratio of (CIII+CIV)/n e increases while the ratio of (CV+CVI)/n e decreases. Here, CIII+CIV (CV+CVI) expresses the sum of CIII (CV) and CIV (CVI) intensities. The CIII+CIV indicates the carbon influx and the CV+CVI indicates the emissions through the transport in the ergodic layer. The result thus gives experimental evidence on the impurity screening by the ergodic layer in LHD, which is also supported by a three-dimensional edge particle simulation. The core impurity behavior is also studied in high-density discharges (n e ≤ 1x 10 15 cm -3 ) with multi H 2 -pellets injection. It is found that the ratio of V/D (V: convection velocity, D: diffusion coefficient) decreases after pellet injection and Z eff profile shows a flat one at values of 1.1-1.2. These results confirm no impurity accumulation occurs in high-density discharges. As a result, the iron density, n Fe , is analyzed to be 6 x 10 -7 ( = n Fe /n e ) of which the amount can be negligible as radiation source even in such high-density discharges. One- and two-dimensional impurity distributions from space-resolved VUV and EUV spectrometers newly developed for further impurity transport study are also presented with their preliminary results. (magnetically confined plasma)

  11. Experimental Challenges in Studying Hydrogen Absorption in Ultrasmall Metal Nanoparticles

    International Nuclear Information System (INIS)

    Zlotea, Claudia; Oumellal, Yassine; Provost, Karine; Ghimbeu, Camelia Matei

    2016-01-01

    Recent advances on synthesis, characterization, and hydrogen absorption properties of ultrasmall metal nanoparticles (defined here as objects with average size ≤3 nm) are briefly reviewed in the first part of this work. The experimental challenges encountered in performing accurate measurements of hydrogen absorption in Mg- and noble metal-based ultrasmall nanoparticles are addressed. The second part of this work reports original results obtained for ultrasmall bulk-immiscible Pd–Rh nanoparticles. Carbon-supported Pd–Rh nanoalloys in the whole binary chemical composition range have been successfully prepared by liquid impregnation method followed by reduction at 300°C. EXAFS investigations suggested that the local structure of these nanoalloys is partially segregated into Rh-rich core and Pd-rich surface coexisting within the same nanoparticles. Downsizing to ultrasmall dimensions completely suppresses the hydride formation in Pd-rich nanoalloys at ambient conditions, contrary to bulk and larger nanosized (5–6 nm) counterparts. The ultrasmall Pd 90 Rh 10 nanoalloy can absorb hydrogen-forming solid solutions under these conditions, as suggested by in situ X-ray diffraction (XRD). Apart from this composition, common laboratory techniques, such as in situ XRD, DSC, and PCI, failed to clarify the hydrogen interaction mechanism: either adsorption on developed surfaces or both adsorption and absorption with formation of solid solutions. Concluding insights were brought by in situ EXAFS experiments at synchrotron: ultrasmall Pd 75 Rh 25 and Pd 50 Rh 50 nanoalloys absorb hydrogen-forming solid solutions at ambient conditions. Moreover, the hydrogen solubility in these solid solutions is higher with increasing Pd content, and this trend can be understood in terms of hydrogen preferential occupation in the Pd-rich regions, as suggested by in situ EXAFS. The Rh-rich nanoalloys (Pd 25 Rh 75 and Pd 10 Rh 90 ) only adsorb hydrogen on the developed surface of ultrasmall

  12. Structure of bimetallic clusters. Extended x-ray absorption fine structure (EXAFS) studies of Rh--Cu clusters

    International Nuclear Information System (INIS)

    Meitzner, G.; Via, G.H.; Lytle, F.W.; Sinfelt, J.H.

    1983-01-01

    An investigation of the structure of the bimetallic clusters present in rhodium--copper catalysts was conducted with the use of extended x-ray absorption fine structure (EXAFS) measurements. Two catalysts were studied, both employing silica as a support for the clusters and both containing 1 wt. % rhodium. In one catalyst the Cu:Rh atomic ratio was 1:2 and in the other 1:1. Studies were made of the EXAFS associated with the K absorption edges of the rhodium and copper. The results of the EXAFS studies indicate that copper concentrates at the surface of the rhodium--copper clusters. In this regard the results are similar to our earlier reported results on ruthenium--copper clusters. However, the extent of surface segregation of the copper appears to be less pronounced for rhodium--copper clusters. This result is reasonable on the basis that rhodium and copper, unlike ruthenium and copper, exhibit at least some miscibility in the bulk

  13. STUDY ON EUROPEAN FUNDS ABSORPTION IN ROMANIA FOR MEASURE 313

    Directory of Open Access Journals (Sweden)

    Florentina D. MATEI

    2014-06-01

    Full Text Available In this paper we wish to highlight the main causes of regional disparities in Romania in terms of absorption of European funds through Measure 313: Encouragement of tourism activities. The post-accession of Romania shows a major deficiency in attracting funds from the European Union, this situation is generated, in particular, by the lack of a coherent long-term vision of the authorities, insufficient resources for co-financing projects, low administrative capacity at central and local level, lack of inter-institutional coordination, public-private partnerships failures and insufficient skilled human resources . We will analyze the number of projects approved and implemented in each region of Romania (2007-2013 to establish the real possibilities of expansion of rural tourism.

  14. Strong crystal field effect in ? - optical absorption study

    Science.gov (United States)

    Gajek, Z.; Krupa, J. C.

    1998-12-01

    =-1 Results of optical absorption measurements in polarized light on tetravalent neptunium diluted in a 0953-8984/10/50/021/img6 single crystal are reported. The recorded spectra are complex, pointing to the presence of an 0953-8984/10/50/021/img7 impurity. The electronic transitions assigned to the 0953-8984/10/50/021/img8 ion are interpreted in terms of the usual model, following the actual understanding of the neptunium electronic structure and independent theoretical predictions. R.m.s. deviations of the order of 0953-8984/10/50/021/img9 have been obtained for 42 levels fitted with 11 free parameters. The crystal field effect resulting from the fitting is considerably larger than that observed for the uranium ion in the same host.

  15. Photoisomerization of ethyl ferulate: A solution phase transient absorption study

    Science.gov (United States)

    Horbury, Michael D.; Baker, Lewis A.; Rodrigues, Natércia D. N.; Quan, Wen-Dong; Stavros, Vasilios G.

    2017-04-01

    Ethyl ferulate (ethyl 4-hydroxy-3-methoxycinnamate) is currently used as a sunscreening agent in commercial sunscreen blends. Recent time-resolved gas-phase measurements have demonstrated that it possesses long-lived (>ns) electronic excited states, counterintuitive to what one might anticipate for an effective sunscreening agent. In the present work, the photodynamics of ethyl ferulate in cyclohexane, are explored using time-resolved transient electronic absorption spectroscopy, upon photoexcitation to the 11ππ∗ and 21ππ∗ states. We demonstrate that ethyl ferulate undergoes efficient non-radiative decay to repopulate the electronic ground state, mediated by trans-cis isomerization. These results strongly suggest that even mild perturbations induced by a non-polar solvent, as may be found in a closer-to-market sunscreen blend, may contribute to our understanding of ethyl ferulate's role as a sunscreening agent.

  16. EDGE EFFECT MODELING AND STUDY FOR THREE-CHIP RGB LIGHT-EMITTING DIODES

    Directory of Open Access Journals (Sweden)

    A. I. Podosinnikov

    2015-03-01

    Full Text Available Subject of study. The paper deals with light quality improvement of multi–chip RGB light-emitting diodes (LEDs and luminaries on their basis. In particular, we have studied the issues of the edge effect reducing, which is non–uniformity of color when observing the source of light under different angles as well as non-uniformity of color distribution on the illuminated surface. Methods. Experimental study of the edge effect has been performed, namely, the analysis of the halo at the periphery of the illuminated area and the non–uniformity of area at the surface of the screen illuminated with RGB LEDs with and without light concentrators. Modeling of illumination distribution at various distances from the source for the system containing four RGB LEDs with reflectors by ZEMAX software has been carried out. Assessment of the uniformity for light distribution via calculating the chromaticity coordinates has been performed. Main results. The possibility of modeling application at the stage of a luminary design is shown on the example of RGB LEDs for assessing the efficiency of light flux usage and colorimetric parameters. Suggested method simplifies significantly the design of luminaries and reduces associated costs. Practical relevance. The findings can be used in the design of luminaries based on RGB LEDs, including the ones with secondary optics elements.

  17. Metal induced crystallization of amorphous silicon thin films studied by x-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Naidu, K Lakshun; Mohiddon, Md Ahamad; Dalba, G; Krishna, M Ghanashyam; Rocca, F

    2013-01-01

    The role of thin metallic layer (Chromium or Nickel) in the crystallization of a-Si film has been studied using X-ray absorption fine structure spectroscopy (XAFS). The films were grown at different substrate temperatures in two different geometrical structures : (a) a 200 nm metal layer (Cr or Ni) was deposited on fused silica (FS) followed by 400 nm of a-Si and (b) the 400 nm a-Si layer was deposited on FS followed by 200 nm of metal layer. XAFS measurements at Cr K-edge and Ni K-edge were done at BM08 – GILDA beamline of the European Synchrotron Research Facility (ESRF, Grenoble, F) in fluorescence mode. To understand the evolution of the local structure of Cr/Ni diffusing from bottom to top and from top to bottom, total reflection and higher incidence angles were employed. The relative content of metal, metal oxide and metal silicides compounds on the upper surface and/or in the bulk of different films has been evaluated as a function of thermal treatment.

  18. Effect of geometric nanostructures on the absorption edges of 1-D and 2-D TiO₂ fabricated by atomic layer deposition.

    Science.gov (United States)

    Chang, Yung-Huang; Liu, Chien-Min; Cheng, Hsyi-En; Chen, Chih

    2013-05-01

    2-Dimensional (2-D) TiO2 thin films and 1-dimensional (1-D) TiO2 nanotube arrays were fabricated on Si and quartz substrates using atomic layer deposition (ALD) with an anodic aluminum oxide (AAO) template at 400 °C. The film thickness and the tube wall thickness can be precisely controlled using the ALD approach. The intensities of the absorption spectra were enhanced by an increase in the thickness of the TiO2 thin film and tube walls. A blue-shift was observed for a decrease in the 1-D and 2-D TiO2 nanostructure thicknesses, indicating a change in the energy band gap with the change in the size of the TiO2 nanostructures. Indirect and direct interband transitions were used to investigate the change in the energy band gap. The results indicate that both quantum confinement and interband transitions should be considered when the sizes of 1-D and 2-D TiO2 nanostructures are less than 10 nm.

  19. Experimental Study of Wake / Flap Interaction Noise and the Reduction of Flap Side Edge Noise

    Science.gov (United States)

    Hutcheson, Florence V.; Stead, Daniel J.; Plassman, Gerald E.

    2016-01-01

    The effects of the interaction of a wake with a half-span flap on radiated noise are examined. The incident wake is generated by bars of various widths and lengths or by a simplified landing gear model. Single microphone and phased array measurements are used to isolate the effects of the wake interaction on the noise radiating from the flap side edge and flap cove regions. The effects on noise of the wake generator's geometry and relative placement with respect to the flap are assessed. Placement of the wake generators upstream of the flap side edge is shown to lead to the reduction of flap side edge noise by introducing a velocity deficit and likely altering the instabilities in the flap side edge vortex system. Significant reduction in flap side edge noise is achieved with a bar positioned directly upstream of the flap side edge. The noise reduction benefit is seen to improve with increased bar width, length and proximity to the flap edge. Positioning of the landing gear model upstream of the flap side edge also leads to decreased flap side edge noise. In addition, flap cove noise levels are significantly lower than when the landing gear is positioned upstream of the flap mid-span. The impact of the local flow velocity on the noise radiating directly from the landing gear is discussed. The effects of the landing gear side-braces on flap side edge, flap cove and landing gear noise are shown.

  20. 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.

  1. CFD study on NACA 4415 airfoil implementing spherical and sinusoidal Tubercle Leading Edge.

    Science.gov (United States)

    Aftab, S M A; Ahmad, K A

    2017-01-01

    The Humpback whale tubercles have been studied for more than a decade. Tubercle Leading Edge (TLE) effectively reduces the separation bubble size and helps in delaying stall. They are very effective in case of low Reynolds number flows. The current Computational Fluid Dynamics (CFD) study is on NACA 4415 airfoil, at a Reynolds number 120,000. Two TLE shapes are tested on NACA 4415 airfoil. The tubercle designs implemented on the airfoil are sinusoidal and spherical. A parametric study is also carried out considering three amplitudes (0.025c, 0.05c and 0.075c), the wavelength (0.25c) is fixed. Structured mesh is utilized to generate grid and Transition SST turbulence model is used to capture the flow physics. Results clearly show spherical tubercles outperform sinusoidal tubercles. Furthermore experimental study considering spherical TLE is carried out at Reynolds number 200,000. The experimental results show that spherical TLE improve performance compared to clean airfoil.

  2. Bimetallic Catalysts and Platinum Surfaces Studied by X-ray Absorption Spectroscopy and Scanning Tunnelling Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roenning, Magnus

    2000-07-01

    Bimetallic catalyst systems used in Fischer-Tropsch synthesis (Co-Re/Al{sub 2}O{sub 3}) and in the naphtha reforming process (Pt-Re/Al{sub 2}O{sub 3}) have been studied in situ using X-ray absorption spectroscopy (EXAFS). Additionally, the adsorption of ethene on platinum single crystal surfaces has been investigated using scanning tunnelling microscopy. In situ EXAFS at the cobalt K absorption edge have been carried out at 450{sup o}C on the hydrogen reduction of a rhenium-promoted Co{sub 3}O{sub 4}/Al{sub 2}O{sub 3} catalyst. Reductions carried out using 100% hydrogen and 5% hydrogen in helium gave different results. Whereas the reduction using dilute hydrogen leads to bulk-like metallic cobalt particles (hcp or fcc), reaction with pure hydrogen yields a more dispersed system with smaller cobalt metal particles (< 40 A). The results are rationalised in terms of different degrees of reoxidation of cobalt by the higher and lower concentrations of water generated during the reduction of cobalt oxide by 100% and 5% hydrogen, respectively. Additionally, in both reduction protocols a small fraction (3 -4 wt%) of the cobalt content is randomly dispersed over the tetrahedral vacancies of the alumina support. This dispersion occurs during reduction and not calcination. The cobalt in these sites cannot be reduced at 450 {sup o}C. The local environments about the rhenium atoms in Co-Re/{gamma}-A1{sub 2}O{sub 3} catalyst after different reduction periods have been studied by X-ray absorption spectroscopy. A bimetallic catalyst containing 4.6 wt% cobalt and 2 wt% rhenium has been compared with a corresponding monometallic sample with 2 wt% rhenium on the same support. The rhenium L{sub III} EXAFS analysis shows that bimetallic particles are formed after reduction at 450{sup o}C with the average particle size being 10-15 A. Rhenium is shown to be reduced at a later stage than cobalt. The fraction of cobalt atoms entering the support obstructs the access to the support for the

  3. Numerical simulation of residual stresses at holes near edges and corners in tempered glass: A parametric study

    DEFF Research Database (Denmark)

    Pourmoghaddam, Navid; Nielsen, Jens Henrik; Schneider, Jens

    2016-01-01

    This work presents 3D results of the thermal tempering simulation by the Finite Element Method in order to calculate the residual stresses in the area of the holes near edges and corners of a tem-pered glass plate. A viscoelastic material behavior of the glass is considered for the tempering...... process. The structural relaxation is taken into account using Narayanaswamy’s model. The motiva-tion for this work is to study the effect of the reduction of the hole and edge minimum distances, which are defined according to EN 12150-1. It is the objective of the paper to demonstrate and elucidate...... the influence of the hole and edge distances on the minimal residual compressive stress-es at holes after the tempering process. The residual stresses in the area of the holes are calculat-ed varying the following parameters: the hole diameter, the plate thickness and the interaction between holes and edges...

  4. A VISION OF ORKUT´S USERS: STUDYING THIS PHENOMENON THROUGH COGNITIVE ABSORPTION

    OpenAIRE

    Mauri Leodir Löbler; Monize Sâmara Visentini; Vania de Fátima Barros Estivalete

    2011-01-01

    This study aims to identify the influence that Cognitive Absorption has on the intention of using Orkut. It happens due to the fact that Cognitive Absorption is related to the state of deep involvement users carry with an individual task, performed with the support of Information Technology (IT); it corroborates the study on this virtual community. Therefore, through descriptive research with a quantitative character and with the aid of structural equations, 645 Orkut users were investigated....

  5. An Empirical Study on Entrepreneurial Orientation, Absorptive Capacity, and SMEs’ Innovation Performance: A Sustainable Perspective

    Directory of Open Access Journals (Sweden)

    Yu-Ming Zhai

    2018-01-01

    Full Text Available Using a survey of 324 small and medium-sized enterprises (SMEs of the Yangtze River Delta in China, this study discusses the relationship between entrepreneurial orientation, absorptive capacity, environmental dynamism, and corporate technological innovation performance. The results based on a moderated moderation model show that the relationship between entrepreneurial orientation and innovation performance is significantly positive. The absorptive capacity can positively moderate this relationship. When the external environment is in high dynamism, the moderating effect of absorptive capacity will be stronger than when the environment is in low dynamism.

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  7. Optical absorption of BaF2 crystals with different prehistory when irradiated by high-energy electrons

    International Nuclear Information System (INIS)

    Chinkov, E P; Stepanov, S A; Shtan'ko, V F; Ivanova, T S

    2016-01-01

    The spectra of stable optical absorption of BaF 2 crystals containing uncontrollable impurities after irradiation with 3 MeV electrons are studied at room temperature. The dependence of the efficiency of stable color accumulation in the region of emerging crossluminescence on the absorption coefficients measured near the fundamental absorption edge in unirradiated crystals of various prehistory is traced. (paper)

  8. Recent experimental studies of edge and internal transport barriers in the DIII-D tokamak

    International Nuclear Information System (INIS)

    Gohil, P; Baylor, L R; Burrell, K H; Casper, T A; Doyle, E J; Greenfield, C M; Jernigan, T C; Kinsey, J E; Lasnier, C J; Moyer, R A; Murakami, M; Rhodes, T L; Rudakov, D L; Staebler, G M; Wang, G; Watkins, J G; West, W P; Zeng, L

    2003-01-01

    Results from recent experiments on the DIII-D tokamak have revealed many important details on transport barriers at the plasma edge and in the plasma core. These experiments include: (a) the formation of the H-mode edge barrier directly by pellet injection; (b) the formation of a quiescent H-mode edge barrier (QH-mode) which is free from edge localized modes, but which still exhibits good density and radiative power control; (c) the formation of multiple transport barriers, such as the quiescent double barrier (QDB) which combines an internal transport barrier with the quiescent H-mode edge barrier. Results from the pellet-induced H-mode experiments indicate that: (a) the edge temperature (electron or ion) does not need to attain a critical value for the formation of the H-mode barrier, (b) pellet injection leads to an increased gradient in the radial electric field, E r , at the plasma edge; (c) the experimentally determined edge parameters at barrier transition are well below the predictions of several theories on the formation of the H-mode barrier, (d) pellet injection can lower the threshold power required to form the H-mode barrier. The quiescent H-mode barrier exhibits good density control as the result of continuous magnetohydrodynamic activity at the plasma edge called the edge harmonic oscillation (EHO). The EHO enhances the edge particle transport whilst maintaining a good energy transport barrier. The ability to produce multiple barriers in the QDB regime has led to long duration, high-performance plasmas with β N H 89 values of 7 for up to 10 times the confinement time. Density profile control in the plasma core of QDB plasmas has been demonstrated using on-axis electron cyclotron heating

  9. Protonation effects on the UV/Vis absorption spectra of imatinib: a theoretical and experimental study.

    Science.gov (United States)

    Grante, Ilze; Actins, Andris; Orola, Liana

    2014-08-14

    An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Studies on the optical absorption of copper-dopped myoglobin: conformational changes

    International Nuclear Information System (INIS)

    Lamy, M.T.M.

    1976-03-01

    Optical absorption changes in the visible and near U.V. spectrum of myoglobin molecules are observed when copper ions are added to the macromolecule. The heme optical transitions are investigated through a theoretical simulation of the optical absorption spectrum. A study of the absorption band in the region of 700 nm associated with the copper - myoglobin complexes indicated the existence of two kinds of metal-protein complexes: one associated with the six or eitht first added copper ions and the other related with the higher concentrations. Conformational changes caused by thermal treatment are studied in myoglobin water solutions and solutions containing copper ions. The phenomenon named pre-denaturation is observed through the optical absorption at 245 nm. It is shown that interactions between myoglobin molecules occur in the pre-denaturation phenomenon. (Author) [pt

  11. A VISION OF ORKUT´S USERS: STUDYING THIS PHENOMENON THROUGH COGNITIVE ABSORPTION

    Directory of Open Access Journals (Sweden)

    Mauri Leodir Löbler

    2011-05-01

    Full Text Available This study aims to identify the influence that Cognitive Absorption has on the intention of using Orkut. It happens due to the fact that Cognitive Absorption is related to the state of deep involvement users carry with an individual task, performed with the support of Information Technology (IT; it corroborates the study on this virtual community. Therefore, through descriptive research with a quantitative character and with the aid of structural equations, 645 Orkut users were investigated. After the identification of suitability of all indexes tested and fit for both constructs and the final model. The conclusion drawn is that Cognitive Absorption explains the 41% intention of using Orkut, emphasizing that for this kind of IT the Cognitive Absorption seems perfectly adequate to measure the Intention of Use.

  12. Studies concerning thermodynamics and kinetics of the absorption of halogenated hydrocarbons relevant to environment

    International Nuclear Information System (INIS)

    Weisweiler, W.; Eidam, K.; Winterbauer, H.

    1993-07-01

    In the context of the research project the scrubbing of air contaminated by peculiar volatile organic compounds was investigated using the absorption technique by means of high boiling organics as washing liquids. Eight chlorinated hydrocarbons well known from technical processes were chosen to be representative for the volatile organic compounds. Eleven absorption media were selected on the basis of their physical properties. For the determination of the solubility data of the absorption media due to chlorinated hydrocarbons, nitrogen as well as a mixture of nitrogen and oxygen were used as carrier gas. The influence of the dipole moment of the absorption media on the amount of solubility - expressed as enrichment factor - was studied, too. Concerning the technical application, the thermostability and the stability against diluted inorganic acids were studied as well. (orig.). 56 figs., 8 tabs., 63 refs [de

  13. Study on measurement of leading and trailing edges of blades based on optical scanning system

    Science.gov (United States)

    Chao, Bi; Liu, Hongguang; Bao, Longxiang; Li, Di

    2017-10-01

    In the field of aeronautics, the geometry and dimensional accuracy of the blade edges has a large influence on the aerodynamic performance of aero engine. Therefore, a non-contact optical scanning system is established to realize the measurement of leading and trailing edges of blades in a rapid, precise and efficient manner in the paper. Based on the mechanical framework of a traditional CMM, the system is equipped with a specified sensing device as the scanning probe, which is made up by two new-style laser scanning sensors installed at a certain angle to each other by a holder. In the measuring procedure, the geometric dimensions of the measured blade edges on every contour plane are determined by the contour information on five transversals at the leading or trailing edges, which can be used to determine the machining allowance of the blades. In order to verify the effectiveness and practicality of the system set up, a precision forging blade after grinded is adopted as the measured object and its leading and trailing edges are measured by the system respectively. In the experiment, the thickness of blade edges on three contour planes is measured by the optical scanning system several times. As the experiment results show, the repeatability accuracy of the system can meet its design requirements and the inspecting demands of the blade edges. As a result, the optical scanning system could serve as a component of the intelligent manufacturing system of blades to improve the machining quality of the blade edges.

  14. Studies on intestinal absorption in postoperative patients with carcinoma of esophagus and gastric cardia

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimura, Y; Inoguchi, T [Kurume Univ., Fukuoka (Japan). School of Medicine

    1974-08-01

    The function of intestinal absorption and gastric and pancreatic secretion were observed to evaluate several factors affected to intestinal absorption in cases of carcinoma of esophagus and gastric cardia after operation. To compare fat absorption and assimilation between medium chain triglyceride (MCT) and long chain triglyceride (LCT), /sup 14/C-labeled fats were used. The effect of different types of anastomosis; i.e. Billroth I and Billroth II type-pathway, and also the effect of truncal vagotomy on digestion and absorption of fats was studied. In results, the types of anastomosis and truncal vagotomy had no significant effect on digestion and absorption of carbohydrate, but the digestion and absorption of protein and fat were impaired after operation, especially in fat. In Billroth I type-pathway, the impaired digestion and absorption were slight. In Billroth II type-pathway, imbalance in the mixing time of the diet and the digestive juice according to the dumping of ingested food into jejunum and quick passage through the jejunum; so called pancreatico-cibal asynchrony, probably caused impaired digestion of fat. It was considered that truncal vagotomy had caused steatorrhea in the early stage of postoperation. Gastric remnant and reconstructive stomach almost lost its secretory function after operation of esophageal cancer, but pancreatic exocrine secretory function remained after vagotomy. Intestinal absorption of MCT was better than it was of LCT even in cases of postoperative malabsorption. So MCT administration is considered as effective method for caloric intake in cases of esophageal cancer and cancer of gastric cardia, which have operative risk and take long time for the recovery in the function of digestion and absorption after operation. (auth)

  15. Experimental study on highly collisional edge plasmas in W7-AS island divertor configurations

    International Nuclear Information System (INIS)

    Grigull, P.; Hildebrandt, D.; Sardei, F.; Feng, Y.; Herre, G.; Herrmann, A.; Hofmann, J.V.; Kisslinger, J.; Kuehner, G.; Niedermeyer, H.; Schneider, R.; Verbeek, H.; Wagner, F.; Wolf, R.; Zhang, X.D.

    1997-01-01

    Edge plasma scenarios in island divertor configurations ('natural' magnetic islands intersected by targets) are studied by comparing data from moderate to high density NBI discharges with 3D code (EMC3/EIRENE) results. The data strongly indicate that high recycling with significant particle flux enhancement was achieved in this geometry. But, plasma pressure losses towards the targets are relatively strong, and high recycling sets in only at n e >10 20 m -3 . The respective density enhancement in front of the targets is moderate (up to a factor of about three relative to the upstream density). These scenarios are also in basic agreement with B2/EIRENE code predictions. At n e >1.5 x 10 20 m -3 detachment seems to develop. Improvements are expected from additional coils controlling the field line pitch inside the islands, and from optimized targets which will better focus recycling neutrals into the islands. Both are in preparation. (orig.)

  16. A study on the mechanical behavior of soils during flat edge cutting

    International Nuclear Information System (INIS)

    Ichiba, Satoru; Hyodo, Kazuya; Ooishi, Yoshihiro

    1986-01-01

    For the development of efficient earthmoving machinery, it is necessary to clarify the soil cutting mechanism, but there is no usual analytical or experimental technique for large deformation problems like soil cutting. Therefore, we have tried to apply the X-ray radiography method, which is a soil experiment method for the visualization and the quantative analysis of soil deformation, to the flat edge cutting problem. Firstly we have confirmed that the X-ray radiography method is applicable to large deformations, and have examined by this method the cutting mechanism of soils under various cutting conditions. As a result, the behavior of shear failure lines, which have not been studied in detail before, are clarified, and the differences in the cutting mechanism with the cutting angle and the nature of soils are discussed through the quantative estimation of the strain distribution. (author)

  17. Vacancy formation energy near an edge dislocation: A hybrid quantum-classical study

    International Nuclear Information System (INIS)

    Tavazza, F.; Wagner, R.; Chaka, A.M.; Levine, L.E.

    2005-01-01

    In this work, the formation energy of a single vacancy in aluminum at different distances from an edge dislocation core is studied using a new, hybrid ab initio-classical potential methodology. Such an approach allows us to conduct large-scale atomistic simulations with a simple classical potential (embedded atom method (EAM), for instance) while simultaneously using the more accurate ab initio approach (first principles quantum mechanics) for critical embedded regions. The coupling is made through shared shells of atoms where the two atomistic modeling approaches are relaxed in an iterative, self-consistent manner. The small, critical region is relaxed using all electron density functional theory (DFT) and the much larger cell in which this is embedded is relaxed using a minimization algorithm with EAM potentials

  18. Particle simulation of pedestal buildup and study of pedestal scaling law in a quiescent plasma edge

    International Nuclear Information System (INIS)

    Chang, C.S.; Ku, S.; Weitzner, H.; Groebner, R.; Osborne, T.

    2005-01-01

    A discrete guiding-center particle code XGC (X-point included Guiding Center code) is used to study pedestal buildup and sheared E r formation in a quiescent plasma edge of a diverted tokamak. A neoclassical pedestal scaling law has been deduced, which shows that the density pedestal width is proportional to T i 1/2 M 1/2 /B t where T i is the ion temperature, M is ion mass and B t is the toroidal magnetic field. Dependence on the pedestal density or the poloidal magnetic field is found to be much weaker. Ion temperature pedestal is not as well defined as the density pedestal. Neoclassical electron transport rate, including the collisional heat exchange rate with ions, is too slow to be considered in the time scale of simulation (∼ 10 ms). (author)

  19. A study on the mechanical behavior of soil during frat edge cutting

    International Nuclear Information System (INIS)

    Ichiba, Satoru; Hyodo, Kazuya; Ooishi, Yoshihiro.

    1987-02-01

    For the development of efficient earthmoving machinery, it is necessary to clarify the soil cutting mechanism, but there is no usual analytical or experimental technique for large deformation problems like soil cutting. Therefore, we have tried to apply the X-ray radiography method, which is a soil experiment method for the visualization and the quantitative analysis of soil deformation, to the flat edge cutting problem. Firstly we have confirmed that the X-ray radiography method is applicable to large deformations, and have examined by this method the cutting mechanism of soils under various cutting conditions. As a result, the behavior of shear failure lines, which have not been studied in detail before, are clarified, and the differences in the cutting mechanism with the cutting angle and the nature of soils are discussed through the quantitative estimation of the strain distribution. (author)

  20. Stratum corneum damage and ex vivo porcine skin water absorption - a pilot study

    DEFF Research Database (Denmark)

    Duch Lynggaard, C; Bang Knudsen, D; Jemec, G B E

    2009-01-01

    A simple ex vivo screening technique would be of interest for mass screening of substances for potential barrier disruptive qualities. Ex vivo water absorption as a marker of skin barrier integrity was studied on pig ear skin. Skin water absorption was quantified by weighing and weight changes were...... found to reflect prehydration barrier damage. It is suggested that this simple model may be elaborated to provide a rapid, economical screening tool for potential skin irritants....

  1. Manoeuvring along the edge of breathlessness: an ethnographic case study of two nurses.

    Science.gov (United States)

    Jellington, Maria Omel; Overgaard, Dorthe; Sørensen, Erik Elgaard

    2016-01-01

    There appears to be divergence between nurses' and patients' perceptions of dyspnoea onset and on how help should be given. This may affect how nurses understand and assess their patients' anxiety and the severity of dyspnoea, potentially diminishing their chances of relieving patients' dyspnoea. The aim of this study was to explore nurse-patient interaction in situations where patients with chronic obstructive pulmonary disease are experiencing acute or worsened dyspnoea in a hospital setting. An ethnographic study using participant observation of two nurses' interactions with six patients, followed by qualitative in-depth interviews with the nurses. Data were analysed in three steps. First, they were coded for identification of preliminary themes. Second, data were regrouped into preliminary themes for focused analysis which led to formulation of themes and subthemes. Third, hermeneutical principles were used as all data were interpreted from the viewpoint of each theme. Three themes were identified: Manoeuvring along the edge; Dyspnoea within the pattern; and Dyspnoea outside the pattern. They were encompassed by the main finding: Manoeuvring along the edge of breathlessness. The nurses attempted to navigate between implicit and explicit care approaches and to create a sphere for relieving or avoiding further worsening of dyspnoea. Depending on the identified pattern for a particular dyspnoeic episode, nurses attributed different significance to the dyspnoea. Interacting in dyspnoeic situations places nurses in a dilemma: an implicit approach risk, deriving from exclusion of patients and performing hesitantly; or an explicit negotiation risk, where patients are exhausted and removed from focusing and breathing. The dilemma weakens nurses' opportunities to relieve or avoid a worsening of the dyspnoea. Likewise, the divergence between nurses' and patients' assessment of dyspnoea as within or outside the pattern appears to jeopardize the efficiency of care. Our

  2. 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.

  3. Topical absorption and toxicity studies of jet fuel hydrocarbons in skin

    Science.gov (United States)

    Muhammad, Faqir

    Kerosene-based fuels have been used for many decades. Over 2 million military and civilian personnel each year are occupationally exposed to various jet fuel mixtures. Dermatitis is one of the major health concerns associated with these exposures. In the past, separate absorption and toxicity studies have been conducted to find the etiology of such skin disorders. There was a need for integrated absorption and toxicity studies to define the causative constituents of jet fuel responsible for skin irritation. The focus of this thesis was to study the percutaneous absorption and to identify the hydrocarbons (HC) causing irritation in jet fuels so that preventive measures could be taken in the future. The initial study was conducted to understand the possible mechanism for additive interactions on hydrocarbon absorption/disposition in silastic, porcine skin and isolated perfused porcine skin flap (IPPSF) models. The influence of JP-8 (100) additives (MDA, BHT, 8Q405) on the dermal kinetics of 14C-naphthalene and 14C/3H-dodecane as markers of HC absorption was evaluated. This study indicated that individual and combination of additives influenced marker disposition in different membranes. MDA was a significant suppressor while BHT was a significant enhancer of naphthalene absorption in IPPSF. The 8Q405 significantly reduced naphthalene content in dosed silastic and skin indicating a direct interaction between additive and marker HC. Similarly, the individual MDA and BHT significantly retained naphthalene in the stratum corneum of porcine skin, but the combination of both of these additives statistically decreased the marker retention in the stratum corneum suggesting a potential biological interaction. This study concluded that all components of a chemical mixture should be assessed since the effects of single components administered alone or as pairs may be confounded when all are present in the complete mixture. However, this study indicated that the marker HC

  4. Sound absorption study on acoustic panel from kapok fiber and egg tray

    Science.gov (United States)

    Kaamin, Masiri; Mahir, Nurul Syazwani Mohd; Kadir, Aslila Abd; Hamid, Nor Baizura; Mokhtar, Mardiha; Ngadiman, Norhayati

    2017-12-01

    Noise also known as a sound, especially one that is loud or unpleasant or that causes disruption. The level of noise can be reduced by using sound absorption panel. Currently, the market produces sound absorption panel, which use synthetic fibers that can cause harmful effects to the health of consumers. An awareness of using natural fibers from natural materials gets attention of some parties to use it as a sound absorbing material. Therefore, this study was conducted to investigate the potential of sound absorption panel using egg trays and kapok fibers. The test involved in this study was impedance tube test which aims to get sound absorption coefficient (SAC). The results showed that there was good sound absorption at low frequency from 0 Hz up to 900 Hz where the maximum absorption coefficient was 0.950 while the maximum absorption at high frequencies was 0.799. Through the noise reduction coefficient (NRC), the material produced NRC of 0.57 indicates that the materials are very absorbing. In addition, the reverberation room test was carried out to get the value of reverberation time (RT) in unit seconds. Overall this panel showed good results at low frequencies between 0 Hz up to 1500 Hz. In that range of frequency, the maximum reverberation time for the panel was 3.784 seconds compared to the maximum reverberation time for an empty room was 5.798 seconds. This study indicated that kapok fiber and egg tray as the material of absorption panel has a potential as environmental and cheap products in absorbing sound at low frequency.

  5. Study on CO{sub 2} absorption enhancement by adding active carbon particles into MEA solution

    Energy Technology Data Exchange (ETDEWEB)

    Qian, Juan; Sun, Rui; Ma, Lian; Sun, Shaozeng [Harbin Institute of Technology, Harbin (China). School of Energy Science and Engineering

    2013-07-01

    The chemical absorption of CO{sub 2} is generally recognized as the most efficient post-combustion technology of CO{sub 2} separation at present. A study on CO{sub 2} absorption enhancement by adding small particles of active carbon into MEA solution is investigated within a self-designed glass stirring tank. Experiments of different particle loadings and different particle sizes have been conducted. When active carbon particle concentration is fewer, compared to the absorption rate of CO{sub 2} gas absorbed by MEA aqueous solution, the role of active carbon adsorption CO{sub 2} gas is negligible. The enhancement efficiency of CO{sub 2} absorption could be improved by 10% to the upmost in this liquid-particle system.

  6. Study of absorption and re-emission processes in a ternary liquid scintillation system

    International Nuclear Information System (INIS)

    Xiao Hualin; Wang Naiyan; Li Xiaobo; Cao Jun; Wen Liangjian; Zheng Dong

    2010-01-01

    Liquid scintillators are widely used as the neutrino target in neutrino experiments. The absorption and emission of different components of a ternary liquid scintillator (Linear Alkyl Benzene (LAB) as the solvent, 2, 5-diphenyloxazole (PPO) as the fluor and p-bis-(o-methylstyryl)-benzene (bis-MSB) as wavelength shifter) are studied. It is shown that the absorption of this liquid scintillator is dominant by LAB and PPO at wavelengths less than 349 nm, and the absorption by bis-MSB becomes prevalent at the wavelength larger than 349 nm. The fluorescence quantum yields, which are the key parameters to model the absorption and re-emission processes in large liquid scintillation detectors, are measured. (authors)

  7. Orientation of One-Dimensional Silicon Polymer Films Studied by X-Ray Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    Md. Abdul Mannan

    2012-01-01

    Full Text Available Molecular orientations for thin films of one-dimensional silicon polymers grown by vacuum evaporation have been assigned by near-edge X-ray absorption fine structure (NEXAFS using linearly polarized synchrotron radiation. The polymer investigated was polydimethylsilane (PDMS which is the simplest stable silicon polymer, and one of the candidate materials for one-dimensional molecular wire. For PDMS films deposited on highly oriented pyrolytic graphite (HOPG, four resonance peaks have been identified in the Si K-edge NEXAFS spectra. Among these peaks, the intensities of the two peaks lower-energy at 1842.0 eV and 1843.2 eV were found to be strongly polarization dependent. The peaks are assigned to the resonance excitations from the Si 1s to σ∗ pyz and σ∗ px orbitals localized at the Si–C and Si–Si bonds, respectively. Quantitative evaluation of the polarization dependence of the NEXAFS spectra revealed that the molecules are self-assembled on HOPG surface, and the backbones of the PDMS are oriented nearly parallel to the surface. The observed orientation is opposite to the previously observed results for PDMS on the other surfaces such as oxide (indium tin oxide and metal (polycrystalline copper. The flat-lying feature of PDMS observed only on HOPG surface is attributed to the interaction between CH bonds in PDMS and π orbitals in HOPG surface.

  8. Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

    Science.gov (United States)

    Hansen, S. B.; Harding, E. C.; Knapp, P. F.; Gomez, M. R.; Nagayama, T.; Bailey, J. E.

    2018-05-01

    The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. We show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated by the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 1024 e/cm3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.

  9. Edge pixel response studies of edgeless silicon sensor technology for pixellated imaging detectors

    Science.gov (United States)

    Maneuski, D.; Bates, R.; Blue, A.; Buttar, C.; Doonan, K.; Eklund, L.; Gimenez, E. N.; Hynds, D.; Kachkanov, S.; Kalliopuska, J.; McMullen, T.; O'Shea, V.; Tartoni, N.; Plackett, R.; Vahanen, S.; Wraight, K.

    2015-03-01

    Silicon sensor technologies with reduced dead area at the sensor's perimeter are under development at a number of institutes. Several fabrication methods for sensors which are sensitive close to the physical edge of the device are under investigation utilising techniques such as active-edges, passivated edges and current-terminating rings. Such technologies offer the goal of a seamlessly tiled detection surface with minimum dead space between the individual modules. In order to quantify the performance of different geometries and different bulk and implant types, characterisation of several sensors fabricated using active-edge technology were performed at the B16 beam line of the Diamond Light Source. The sensors were fabricated by VTT and bump-bonded to Timepix ROICs. They were 100 and 200 μ m thick sensors, with the last pixel-to-edge distance of either 50 or 100 μ m. The sensors were fabricated as either n-on-n or n-on-p type devices. Using 15 keV monochromatic X-rays with a beam spot of 2.5 μ m, the performance at the outer edge and corners pixels of the sensors was evaluated at three bias voltages. The results indicate a significant change in the charge collection properties between the edge and 5th (up to 275 μ m) from edge pixel for the 200 μ m thick n-on-n sensor. The edge pixel performance of the 100 μ m thick n-on-p sensors is affected only for the last two pixels (up to 110 μ m) subject to biasing conditions. Imaging characteristics of all sensor types investigated are stable over time and the non-uniformities can be minimised by flat-field corrections. The results from the synchrotron tests combined with lab measurements are presented along with an explanation of the observed effects.

  10. Arsenate reduction and methylation in the cells of Trichoderma asperellum SM-12F1, Penicillium janthinellum SM-12F4, and Fusarium oxysporum CZ-8F1 investigated with X-ray absorption near edge structure

    International Nuclear Information System (INIS)

    Su, S.M.; Zeng, X.B.; Li, L.F.; Duan, R.; Bai, L.Y.; Li, A.G.; Wang, J.; Jiang, S.

    2012-01-01

    Highlights: ► Three fungal strains are capable of As(V) reduction and methylation. ► As(V) reduction might be more easily processed than the methylation in fungal cells. ► As sequestration and speciation transformation might be the detoxification processes. - Abstract: Synchrotron radiation-based X-ray absorption near edge structure (XANES) was introduced to directly analysis chemical species of arsenic (As) in the cells of Trichoderma asperellum SM-12F1, Penicillium janthinellum SM-12F4, and Fusarium oxysporum CZ-8F1 capable of As accumulation and volatilisation. After exposure to As(V) of 500 mg L −1 for 15 days, a total of 60.5% and 65.3% of the accumulated As in the cells of T. asperellum SM-12F1 and P. janthinellum SM-12F4, respectively, was As(III), followed by 31.3% and 32.4% DMA (dimethylarsinic acid), 8.3% and 2.3% MMA (monomethylarsonic acid), respectively. However, for F. oxysporum CZ-8F1, 54.5% of the accumulated As was As(III), followed by 37.8% MMA and 7.7% As(V). The reduction and methylation of As(V) formed As(III), MMA, and DMA as the primacy products, and the reduction of As(V) might be more easily processed than the methylation. These results will help to understanding the mechanisms of As detoxification and its future application in bioremediation.

  11. 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.

  12. Study of Material Moisture Measurement Method and Instrument by the Combination of Fast Neutron Absorption and γ Absorption

    International Nuclear Information System (INIS)

    Hou Chaoqin; Gong Yalin; Zhang Wei; Shang Qingmin; Li Yanfeng; Gou Qiangyuan; Yin Deyou

    2010-01-01

    To solve the problem of on-line sinter moisture measurement in the iron making plant, we developed material moisture measurement method and instrument by the combination of fast neutron absorption and y-absorption. It overcomes the present existed problems of other moisture meters for the sinter. Compare with microwave moisture meter, the measurement dose not affected by conductance and magnetism of material; to infrared moisture meter, the measurement result dose not influenced by colour and light-reflect performance of material surface, dose not influenced by changes of material kind; to slow neutron scatter moisture meter, the measurement dose not affected by density of material and thickness of hopper wall; to the moisture measurement meter which combined by slow neutron penetrate through and y-absorption, there are definite math model and good linear relation between the measurement values, and the measurement dose not affected by material thickness, changes of material form and component. (authors)

  13. Folate absorption

    International Nuclear Information System (INIS)

    Baker, S.J.

    1976-01-01

    Folate is the generic term given to numerous compounds of pteroic acid with glutamic acid. Knowledge of absorption is limited because of the complexities introduced by the variety of compounds and because of the inadequacy of investigational methods. Two assay methods are in use, namely microbiological and radioactive. Techniques used to study absorption include measurement of urinary excretion, serum concentration, faecal excretion, intestinal perfusion, and haematological response. It is probably necessary to test absorption of both pteroylmonoglutamic acid and one or more polyglutamates, and such tests would be facilitated by availability of synthesized compounds labelled with radioactive tracers at specifically selected sites. (author)

  14. Structural analysis of radiation damage in zircon and thorite: An X-ray absorption spectroscopic study

    International Nuclear Information System (INIS)

    Farges, F.; Calas, G.

    1991-01-01

    Metamictization effects have been investigated in zircon, thorite, uranothorite, and thorogummite using X-ray absorption spectroscopy at Zr-K, Th-L III edges. Extended X-ray absorption fine structure (EXAFS) spectra of metamict samples are characterized by a major contribution due to the O nearest neighbors with some contributions from next-nearest neighbors (Si and Zr in zircon, Si in thorite). In zircon, Zr-O distances decrease by ∼0.1 angstrom while the coordination number of Zr decreases from 8 to 7. In contrast, the eightfold coordination of Th in crystalline thorite is preserved in metamict thorite, Si second neighbors around Zr or Th are generally observed in metamict samples with distances close to those measured in crystalline phases. No other contribution to EXAFS is observed in thorite, but Zr-Zr distances are observed in zircon. They decrease by ca. 0.3 Angstrom as a function of zircon metamictization. Metamictization processes are characterized by a loss of medium range order. There is no evidence for decomposition into crystalline oxides. The structural interpretation of EXAFS data must take into account the creation of O vacancies arising from a displacement or tilting of the SiO 4 tetrahedra during metamictization of zircon-like structures. If the cation can take a lower coordination number (as in the case of Zr), a coordination change allows the local structure to be partly maintained during metamictization. If not, as for Th, the local structure is rapidly destroyed

  15. CFD study on NACA 4415 airfoil implementing spherical and sinusoidal Tubercle Leading Edge.

    Directory of Open Access Journals (Sweden)

    S M A Aftab

    Full Text Available The Humpback whale tubercles have been studied for more than a decade. Tubercle Leading Edge (TLE effectively reduces the separation bubble size and helps in delaying stall. They are very effective in case of low Reynolds number flows. The current Computational Fluid Dynamics (CFD study is on NACA 4415 airfoil, at a Reynolds number 120,000. Two TLE shapes are tested on NACA 4415 airfoil. The tubercle designs implemented on the airfoil are sinusoidal and spherical. A parametric study is also carried out considering three amplitudes (0.025c, 0.05c and 0.075c, the wavelength (0.25c is fixed. Structured mesh is utilized to generate grid and Transition SST turbulence model is used to capture the flow physics. Results clearly show spherical tubercles outperform sinusoidal tubercles. Furthermore experimental study considering spherical TLE is carried out at Reynolds number 200,000. The experimental results show that spherical TLE improve performance compared to clean airfoil.

  16. Study of edge effects in the breakdown process of p sup + on n-bulk silicon diodes

    CERN Document Server

    Militaru, O; Bozzi, C; Rold, M D; Dell'Orso, R; Dutta, S; Messineo, A; Mihul, A; Tonelli, G; Verdini, P G; Wheadon, R; Xie, Z

    2000-01-01

    The paper describes the role of the n sup + edge implants in the breakdown process of p sup + on n-bulk silicon diodes. Laboratory measurements and simulation studies are presented on a series of test structures aimed at an optimization of the design in the edge region. The dependence of the breakdown voltage on the geometrical parameters of the devices is discussed in detail. Design rules are extracted for the use of n sup + -layers along the scribe line to avoid surface conduction of current generated by the exposed edges. The effect of neutron irradiation has been studied up to a fluence of 1.8x10 sup 1 sup 5 cm sup - sup 2.

  17. Atomistic study of drag, surface and inertial effects on edge dislocations in face-centered cubic metals

    International Nuclear Information System (INIS)

    Bitzek, Erik; Gumbsch, Peter

    2004-01-01

    Atomistic simulations of an accelerating edge dislocation were carried out to study the effects of drag and inertia. Using an embedded atom potential for nickel, the Peierls stress, the effective mass and the drag coefficient of an edge dislocation were determined for different temperatures and stresses in a simple slab geometry. The effect of {1 1 1} surfaces on an intersecting edge dislocation were studied by appropriately cutting the slab. A dislocation intersecting a surface step was used as a model system to demonstrate the importance of inertial effects for dynamically overcoming short range obstacles. Significant effects were found even at room temperature. A simple model based on the dislocation-obstacle interaction energies was used to describe the findings

  18. Degradation and Moisture Absorption Study of Potato-starch Linear ...

    African Journals Online (AJOL)

    Composite of linear low density polyethylene (LLDPE) and potato-starch was produced and subjected to degradation studies with the agencies of enzymes, exposure to weather and immersion in water. Enzymatic hydrolysis degraded the matrix to an extent greater than 40% loss in strength and about 20% loss in ...

  19. A theoretical study of absorption equilibria in silicon CVD

    NARCIS (Netherlands)

    Gardeniers, Johannes G.E.; Giling, L.J.; de Jong, F.; van der Eerden, J.P.

    1990-01-01

    As part of a theoretical study of adsorption processes in the chemical vapour deposition of silicon, thermochemical data are derived for the adsorption of Si-H species on the Si(111) and the dimer-reconstructed Si(001)-(2 x 1) surfaces. Essential contributions to the heats of adsorption appear to be

  20. The effect of ISM absorption on stellar activity measurements and its relevance for exoplanet studies

    Science.gov (United States)

    Fossati, L.; Marcelja, S. E.; Staab, D.; Cubillos, P. E.; France, K.; Haswell, C. A.; Ingrassia, S.; Jenkins, J. S.; Koskinen, T.; Lanza, A. F.; Redfield, S.; Youngblood, A.; Pelzmann, G.

    2017-05-01

    Past ultraviolet and optical observations of stars hosting close-in Jupiter-mass planets have shown that some of these stars present an anomalously low chromospheric activity, significantly below the basal level. For the hot Jupiter planet host WASP-13, observations have shown that the apparent lack of activity is possibly caused by absorption from the intervening interstellar medium (ISM). Inspired by this result, we study the effect of ISM absorption on activity measurements (S and log R 'HK indices) for main-sequence late-type stars. To this end, we employ synthetic stellar photospheric spectra combined with varying amounts of chromospheric emission and ISM absorption. We present the effect of ISM absorption on activity measurements by varying several instrumental (spectral resolution), stellar (projected rotational velocity, effective temperature, and chromospheric emission flux), and ISM parameters (relative velocity between stellar and ISM Ca II lines, broadening b-parameter, and Ca II column density). We find that for relative velocities between the stellar and ISM lines smaller than 30-40 km s-1 and for ISM Ca II column densities log NCaII ⪆ 12, the ISM absorption has a significant influence on activity measurements. Direct measurements and three dimensional maps of the Galactic ISM absorption indicate that an ISM Ca II column density of log NCaII = 12 is typically reached by a distance of about 100 pc along most sight lines. In particular, for a Sun-like star lying at a distance greater than 100 pc, we expect a depression (bias) in the log R'HK value larger than 0.05-0.1 dex, about the same size as the typical measurement and calibration uncertainties on this parameter. This work shows that the bias introduced by ISM absorption must always be considered when measuring activity for stars lying beyond 100 pc. We also consider the effect of multiple ISM absorption components. We discuss the relevance of this result for exoplanet studies and revise the

  1. Studies on the absorption, distribution of rare earth elements and its effect on absorption of phosphorus and potassium in sugarcane (Saccharum officnarum L.)

    International Nuclear Information System (INIS)

    Kuang Yanhua; Liu Qiongying; Zheng Yuemei; Deng Zhouhuo; Xu Shengjie

    1991-01-01

    Study on the absorption, distribution and translocation of area earth elements (RE) and their effects on absorption of phosphorus and potassium ( 86 Rb as tracer) in sugarcane showed that the sugarcane could absorb soluble RE fast by its root or leaves. Within the 1-7 days after treatment, the absorption rate of 141 Ce in organs of the plant increased with the time. At the 7th day after treatment, the absorption rate of 141 Ce by sugarcane plant reached the maximum which was about 2-3 times of that at the 1st day and after that it gradually decreased. The utilization efficiency of 141 Ce by sugarcane plant was 0.836-3.24%. The absorption and distribution of RE in sugarcane plant varied with the treatment methods. It was shown that about 90% 141 Ce in nutrient solution was concentrated in the roots while only about 10% of them was transferred into the shoots. The distribution and accumulation of 141 Ce in suggarcene plant was in order of root>stem>leaf. If smeared on the leaf of sugarcane, the distribution and accumulation of 141 Ce in sugarcane plant was in order of leaf>stem>root. When treated with 300, 500 and 800 ppm R(NO 3 ) 3 ·4H 2 O, Ce, La, Sm, Pr, Nd and Y, the absorption and translocation rate of phosphorus and rubidium in sugarcane were increased

  2. A study of phosphate absorption by magnesium iron hydroxycarbonate.

    Science.gov (United States)

    Du, Yi; Rees, Nicholas; O'Hare, Dermot

    2009-10-21

    A study of the mechanism of phosphate adsorption by magnesium iron hydroxycarbonate, [Mg(2.25)Fe(0.75)(OH)(6)](CO(3))(0.37).0.65H(2)O over a range of pH has been carried out. The efficiency of the phosphate removal from aqueous solution has been investigated between pH 3-9 and the resulting solid phases have been studied by elemental analysis, XRD, FT-IR, Raman, HRTEM, EDX and solid-state MAS (31)P NMR. The analytical and spectroscopic data suggest that phosphate removal from solution occurs not by anion intercalation of the relevant phosphorous oxyanion (H(2)PO(4)(-) or HPO(4)(2-)) into the LDH but by the precipitation of either an insoluble iron hydrogen phosphate hydrate and/or a magnesium phosphate hydrate.

  3. A radiographic study on the prevalence of knife-edge residual alveolar ridge at proposed dental implant sites

    International Nuclear Information System (INIS)

    AlFaleh, Wafaa

    2009-01-01

    Dental implants are widely used in restoration of completely or partially edentulous dental arches. Before placement of endosseous implants in the jaws, both the quantity and quality of the residual ridge must be assessed radiographically. Remodeling activity after tooth extraction is localized primarily at the crestal area of the residual ridges, resulting in reduction of the height of bone and creation of various three-dimensional shapes of the residual ridges. When bone resorption at the lingual and buccal aspects is greater than that at the crestal area, a knife-edge type of residual ridge develops. The aim of this study was to evaluate the prevalence of the knife-edge morphology of the residual alveolar bone at proposed implant sites in partially or completely edentulous patients. Computed tomography (CT) cross-sectional images of the upper and lower jaws were assessed at the proposed sites before implant placement. Images of 258 proposed implant sites belonging to 30 patients were assessed radiographically. In 120 proposed implant sites out of 258 (46.5%), the residual alveolar ridge had a knife-edge configuration, the majority belonging to completely edentulous patients who lost their teeth more than ten years previously. High prevalence of knife-edge ridge was found, therefore, replacement of missing teeth by immediate implant is recommended to prevent atrophy or knife-edge morphology of the residual ridge. (author)

  4. Optical absorption and Faraday rotation in spin doped Cd1-xHgxSe : Mn crystals

    NARCIS (Netherlands)

    Savchuk, AI; Paranchich, SY; Paranchich, LD; Romanyuk, OS; Andriychuk, MD; Nikitin, PI; Tomlinson, RD; Hill, AE; Pilkington, RD

    1998-01-01

    Optical absorption spectra and the Faraday effect in crystals of Cd1-xHgxSe : Mn have been studied. The studied samples have been characterized abrupt absorption edge and transparency region with high transmission coefficient. The measured values of Verdet constant were considerably larger than in

  5. Fast visible imaging and study of edge turbulence in the Aditya tokamak

    International Nuclear Information System (INIS)

    Banerjee, Santanu; Manchanda, Ranjana; Chowdhuri, Malay Bikas; Ramaiya, Nilam; Parmar, Navin; Ghosh, Joydeep; Tanna, Rakesh L.; Shukla, Braj Kishore; Sharma, Pramod K.

    2015-01-01

    Fast visible imaging is used on toroidal magnetic confinement devices for a wide variety of purposes. This includes monitoring of the plasma evolution, transient effects in the plasma and the study of edge turbulence. Two fast visible imaging systems are installed on the Aditya tokamak. One of the system is for imaging the plasma evolution with a wide angle lens covering a major portion of the vacuum vessel. The imaging fiber bundle along with the objective lens is installed inside a radial re-entrant viewport, specially designed for the purpose. Another system is intended for tangential imaging of the plasma column. During the termination phase of Aditya plasma, large filaments are seen predominantly across all types of discharges. These filaments are apparent just after the strong interaction of the plasma column with the high field side limiter surface almost at the end of the discharge. Statistical features of these filaments and their role during the termination of plasma is studied. Further, there are many interesting visual impacts of either the experiments carried out or several inherent phenomena in Aditya like the ECRH and LHCD operations, dynamics of the runaway dominated discharges and plasma equilibrium at various discharge scenarios. Such observations and the gained physical insights will be reported. (author)

  6. Study of Photosensitive Dry Films Absorption for Printed Circuit Boards by Photoacoustic Technique

    Science.gov (United States)

    Hernández, R.; Zaragoza, J. A. Barrientos; Jiménez-Pérez, J. L.; Orea, A. Cruz; Correa-Pacheco, Z. N.

    2017-08-01

    In this work, the study of photosensitive dry-type films by photoacoustic technique is proposed. The dry film photoresist is resistant to chemical etching for printed circuit boards such as ferric chloride, sodium persulfate or ammonium, hydrochloric acid. It is capable of faithfully reproducing circuit pattern exposed to ultraviolet light (UV) through a negative. Once recorded, the uncured portion is removed with alkaline solution. It is possible to obtain good results in surface mount circuits with tracks of 5 mm. Furthermore, the solid resin films are formed by three layers, two protective layers and a UV-sensitive optical absorption layer in the range of 325 nm to 405 nm. By means of optical absorption of UV-visible rays emitted by a low-power Xe lamp, the films transform this energy into thermal waves generated by the absorption of optical radiation and subsequently no-radiative de-excitation occurs. The photoacoustic spectroscopy is a useful technique to measure the transmittance and absorption directly. In this study, the optical absorption spectra of the three layers of photosensitive dry-type films were obtained as a function of the wavelength, in order to have a knowledge of the absorber layer and the protective layers. These analyses will give us the physical properties of the photosensitive film, which are very important in curing the dry film for applications in printed circuit boards.

  7. Myo-inositol inhibits intestinal glucose absorption and promotes muscle glucose uptake: a dual approach study.

    Science.gov (United States)

    Chukwuma, Chika Ifeanyi; Ibrahim, Mohammed Auwal; Islam, Md Shahidul

    2016-12-01

    The present study investigated the effects of myo-inositol on muscle glucose uptake and intestinal glucose absorption ex vivo as well as in normal and type 2 diabetes model of rats. In ex vivo study, both intestinal glucose absorption and muscle glucose uptake were studied in isolated rat jejunum and psoas muscle respectively in the presence of increasing concentrations (2.5 % to 20 %) of myo-inositol. In the in vivo study, the effect of a single bolus dose (1 g/kg bw) of oral myo-inositol on intestinal glucose absorption, blood glucose, gastric emptying and digesta transit was investigated in normal and type 2 diabetic rats after 1 h of co-administration with 2 g/kg bw glucose, when phenol red was used as a recovery marker. Myo-inositol inhibited intestinal glucose absorption (IC 50  = 28.23 ± 6.01 %) and increased muscle glucose uptake, with (GU 50  = 2.68 ± 0.75 %) or without (GU 50  = 8.61 ± 0.55 %) insulin. Additionally, oral myo-inositol not only inhibited duodenal glucose absorption and reduced blood glucose increase, but also delayed gastric emptying and accelerated digesta transit in both normal and diabetic animals. Results of this study suggest that dietary myo-inositol inhibits intestinal glucose absorption both in ex vivo and in normal or diabetic rats and also promotes muscle glucose uptake in ex vivo condition. Hence, myo-inositol may be further investigated as a possible anti-hyperglycaemic dietary supplement for diabetic foods and food products.

  8. Study the multi-photon absorption process in two types of molecules

    International Nuclear Information System (INIS)

    Al-azawi, H.R.

    1986-01-01

    The aim of the present work was to study the multi-photon absorption process in two types of molecules; spherical top such as SF 6 molecules and assymetric top such as CHOOH and C 2 H 4 molecules. This work also aimed to study the effect of buffer gas pressure (Ar), which is transparent to the infrared (IR) laser on the multiphoton absorption of both types of molecules. A pulsed (TEA) CO 2 laser was used as a source which generates multi-lines in the IR-region of the spectrum and an optoacoustic detector was used to detect the energy absorbed by the molecules. In this study, the relaxation process was found to be faster in the heavy molecules than that in the light ones. A limit in the Ar pressure was observed. Below this limit, the gas acted as an active buffer gas and above it, the multi-photon absorption process was quenched. This work also aimed to study the multi-photon absorption spectrum for the CHOOH molecules in the range (1067-1090 cm -1 ). This spectrum was found to be consistent with the linear absorption spectrum obtained for the same range. The density of the vibrational states as a function of the vibrational energy was studied for the molecules SF 6 , CHOOH and C 2 H 4 . The results were used to interpret (i) the difference in the energy absorbed by difference molecules at the same energy density and (ii) the non-linearity in the multi-photon absorption for CHOOH molecules. 1 tab.; 40 figs.; 70 refs

  9. A review of whole-body counting techniques appropriate to the study of gastrointestinal absorption

    International Nuclear Information System (INIS)

    Boddy, K.

    1976-01-01

    The wide range of whole-body counters in use for, or applicable to, the study of gastrointestinal absorption is reviewed. Shielded-room or high-sensitivity shadow-shield counters will generally be required only when there is a separate need to measure total body potassium or in studies involving pregnancy or children. For measuring gastrointestinal absorption per se, it is concluded that very simple whole-body counters of the shadow-shield or partial-shield type are usually satisfactory. These systems are of lower cost, and an economic justification for their use is derived by comparing their costs with those of hospitalizing patients for alternative investigations of gastrointestinal absorption. A resume of the general methodology is presented and some operational features and precautions are described. (author)

  10. Experimental studies of edge turbulence and confinement in Alcator C-Moda)

    Science.gov (United States)

    Cziegler, I.; Terry, J. L.; Hughes, J. W.; LaBombard, B.

    2010-05-01

    The steep gradient edge region and scrape-off-layer (SOL) on the low-field-side of Alcator C-Mod [I. H. Hutchinson, R. Boivin, F. Bombarda et al., Phys. Plasmas 1, 1511 (1994)] tokamak plasmas are studied using gas-puff-imaging diagnostics. In L-mode plasmas, the region extending ˜2 cm inside the magnetic separatrix has fluctuations showing a broad, turbulent spectrum, propagating in the electron diamagnetic drift direction, whereas features in the open field line region propagate in the ion diamagnetic drift direction. This structure is robust against toroidal field strength, poloidal null-point geometry, plasma current, and plasma density. Global parameter dependence of spectral and spatial structure of the turbulence inside the separatrix is explored and characterized, and both the intensity and spectral distributions are found to depend strongly on the plasma density normalized to the tokamak density limit. In H-mode discharges the fluctuations at and inside the magnetic separatrix show fundamentally different trends compared to L-mode, with the electron diamagnetic direction propagating turbulence greatly reduced in ELM-free [F. Wagner et al., Proceedings of the Thirteenth Conference on Plasma Physics and Controlled Nuclear Fusion Research (IAEA, Vienna, 1982), Vol. I, p. 277], and completely dominated by the modelike structure of the quasicoherent mode in enhanced D-alpha regimes [A. E. Hubbard, R. L. Boivin, R. S. Granetz et al., Phys. Plasmas 8, 2033 (2001)], while the normalized SOL turbulence is largely unaffected.

  11. 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

  12. 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.

  13. Heat Transfer and Friction Studies in a Tilted and Rib-Roughened Trailing-Edge Cooling Cavity with and without the Trailing-Edge Cooling Holes

    Directory of Open Access Journals (Sweden)

    M. E. Taslim

    2014-01-01

    Full Text Available Local and average heat transfer coefficients and friction factors were measured in a test section simulating the trailing-edge cooling cavity of a turbine airfoil. The test rig with a trapezoidal cross-sectional area was rib-roughened on two opposite sides of the trapezoid (airfoil pressure and suction sides with tapered ribs to conform to the cooling cavity shape and had a 22-degree tilt in the flow direction upstream of the ribs that affected the heat transfer coefficients on the two rib-roughened surfaces. The radial cooling flow traveled from the airfoil root to the tip while exiting through 22 cooling holes along the airfoil trailing-edge. Two rib geometries, with and without the presence of the trailing-edge cooling holes, were examined. The numerical model contained the entire trailing-edge channel, ribs, and trailing-edge cooling holes to simulate exactly the tested geometry. A pressure-correction based, multiblock, multigrid, unstructured/adaptive commercial software was used in this investigation. Realizable k-ε turbulence model in conjunction with enhanced wall treatment approach for the near wall regions was used for turbulence closure. The applied thermal boundary conditions to the CFD models matched the test boundary conditions. Comparisons are made between the experimental and numerical results.

  14. A feasibility study on oxidation state of arsenic in cut tobacco, mainstream cigarette smoke and cigarette ash by X-ray absorption spectroscopy

    International Nuclear Information System (INIS)

    Liu, C.; Hu, J.; McAdam, K.G.

    2009-01-01

    This work describes the application of synchrotron-based X-ray Absorption Near-Edge Structure spectroscopy to study the oxidation state of arsenic in cigarette mainstream smoke, cut tobacco and cigarette ash. The level of arsenic in the total particulate matter of the smoke is approximately 1 ppm for the standard research reference cigarette 2R4F and its replacement 3R4F. Smoke particulate samples collected by a conventional glass-fiber membrane (commercially known as Cambridge filter pad) and a jet-impaction method were analyzed and compared. In addition smoke particulate samples were aged either at ambient temperature or at 195 K. X-ray Absorption Near-Edge Structure spectroscopy results revealed that the cut tobacco powder and cigarette ash contained almost exclusively As V . The smoke particulate samples however contained a mixture of As III and As V . The As V in the smoke particulate was reduced to As III upon aging. Stabilizing the smoke particulate matter at 195 K by solid CO 2 slowed down this aging reaction and revealed a higher percentage of As V . This behavior is consistent with the redox properties of the arsenic species and the smoke particulate matrix.

  15. Threats to private forest lands in the U.S.A.: a forests on the edge study

    Science.gov (United States)

    Mark H. Hatfield; Ronald E. McRoberts; Dacia M. Meneguzzo; Sara. Comas

    2010-01-01

    The Forests on the Edge project, sponsored by the USDA Forest Service, uses geographic information systems to construct and analyze maps depicting threats to the contributions of America’s private forest lands. For this study, watersheds across the conterminous United States are evaluated with respect to the amount of their private forest land. Watersheds with at least...

  16. On the Influence of the Sample Absorptivity when Studying the Thermal Degradation of Materials

    Directory of Open Access Journals (Sweden)

    Pascal Boulet

    2015-08-01

    Full Text Available The change in absorptivity during the degradation process of materials is discussed, and its influence as one of the involved parameters in the degradation models is studied. Three materials with very different behaviors are used for the demonstration of its role: a carbon composite material, which is opaque, almost grey, a plywood slab, which is opaque and spectral-dependent and a clear PMMA slab, which is semitransparent. Data are analyzed for virgin and degraded materials at different steps of thermal degradation. It is seen that absorptivity and emissivity often reach high values in the range of 0.90–0.95 with a near-grey behavior after significant thermal aggression, but depending on the materials of interest, some significant evolution may be first observed, especially during the early stages of the degradation. Supplementary inaccuracy can come from the heterogeneity of the incident flux on the slab. As a whole, discrepancies up to 20% can be observed on the absorbed flux depending on the degradation time, mainly because of the spectral variations of the absorption and up to 10% more, depending on the position on the slab. Simple models with a constant and unique value of absorptivity may then lead to inaccuracies in the evaluation of the radiative flux absorption, with possible consequences on the pyrolysis analysis, especially for properties related to the early step of the degradation process, like the time to ignition, for example.

  17. On the Influence of the Sample Absorptivity when Studying the Thermal Degradation of Materials.

    Science.gov (United States)

    Boulet, Pascal; Brissinger, Damien; Collin, Anthony; Acem, Zoubir; Parent, Gilles

    2015-08-21

    The change in absorptivity during the degradation process of materials is discussed, and its influence as one of the involved parameters in the degradation models is studied. Three materials with very different behaviors are used for the demonstration of its role: a carbon composite material, which is opaque, almost grey, a plywood slab, which is opaque and spectral-dependent and a clear PMMA slab, which is semitransparent. Data are analyzed for virgin and degraded materials at different steps of thermal degradation. It is seen that absorptivity and emissivity often reach high values in the range of 0.90-0.95 with a near-grey behavior after significant thermal aggression, but depending on the materials of interest, some significant evolution may be first observed, especially during the early stages of the degradation. Supplementary inaccuracy can come from the heterogeneity of the incident flux on the slab. As a whole, discrepancies up to 20% can be observed on the absorbed flux depending on the degradation time, mainly because of the spectral variations of the absorption and up to 10% more, depending on the position on the slab. Simple models with a constant and unique value of absorptivity may then lead to inaccuracies in the evaluation of the radiative flux absorption, with possible consequences on the pyrolysis analysis, especially for properties related to the early step of the degradation process, like the time to ignition, for example.

  18. Experimental study on the sound absorption characteristics of continuously graded phononic crystals

    Directory of Open Access Journals (Sweden)

    X. H. Zhang

    2016-10-01

    Full Text Available Novel three-dimensional (3D continuously graded phononic crystals (CGPCs have been designed, and fabricated by 3D printing. Each of the CGPCs is an entity instead of a combination of several other samples, and the porosity distribution of the CGPC along the incident direction is nearly linear. The sound absorption characteristics of CGPCs were experimentally investigated and compared with those of uniform phononic crystals (UPCs and discretely stepped phononic crystals (DSPCs. Experimental results show that CGPCs demonstrate excellent sound absorption performance because of their continuously graded structures. CGPCs have higher sound absorption coefficients in the large frequency range and more sound absorption coefficient peaks in a specific frequency range than UPCs and DSPCs. In particular, the sound absorption coefficients of the CGPC with a porosity of 0.6 and thickness of 30 mm are higher than 0.56 when the frequency is 1350–6300 Hz and are all higher than 0.2 in the studied frequency range (1000–6300 Hz. CGPCs are expected to have potential application in noise control, especially in the broad frequency and low-frequency ranges.

  19. Study of plasma-based stable and ultra-wideband electromagnetic wave absorption for stealth application

    Science.gov (United States)

    Xuyang, CHEN; Fangfang, SHEN; Yanming, LIU; Wei, AI; Xiaoping, LI

    2018-06-01

    A plasma-based stable, ultra-wideband electromagnetic (EM) wave absorber structure is studied in this paper for stealth applications. The stability is maintained by a multi-layer structure with several plasma layers and dielectric layers distributed alternately. The plasma in each plasma layer is designed to be uniform, whereas it has a discrete nonuniform distribution from the overall view of the structure. The nonuniform distribution of the plasma is the key to obtaining ultra-wideband wave absorption. A discrete Epstein distribution model is put forward to constrain the nonuniform electron density of the plasma layers, by which the wave absorption range is extended to the ultra-wideband. Then, the scattering matrix method (SMM) is employed to analyze the electromagnetic reflection and absorption of the absorber structure. In the simulation, the validation of the proposed structure and model in ultra-wideband EM wave absorption is first illustrated by comparing the nonuniform plasma model with the uniform case. Then, the influence of various parameters on the EM wave reflection of the plasma are simulated and analyzed in detail, verifying the EM wave absorption performance of the absorber. The proposed structure and model are expected to be superior in some realistic applications, such as supersonic aircraft.

  20. A laboratory experimental setup for photo-absorption studies using synchrotron radiation

    CERN Document Server

    Shastri, A; Saraswati, P; Sunanda, K

    2002-01-01

    The photophysics beamline, which is being installed at the 450 MeV Synchrotron Radiation Source (SRS), Indus-l, is a medium resolution beamline useful for a variety of experiments in the VUV region viz. 500-2000 A. One of the major applications of this beamline is gas-phase photo-absorption studies. An experimental set up to be used for these experiments was designed, developed and tested in our laboratory. The setup consists of a high vacuum absorption cell, 1/4 m monochromator and detection system. For the purpose of testing, xenon and tungsten continuum sources were used and absorption spectra were recorded in the UV region. This setup was used to record the absorption spectrum of a few molecules like acetone, ammonia, benzene, formaldehyde and acetaldehyde in order to evaluate the performance of the experimental system which will subsequently be used with the photophysics beamline. Details of the design, fabrication and testing of the absorption cell and experimental procedures are presented in this repor...

  1. Molybdenum x-ray absorption studies of the mutant Kp nifV of nitrogenase MO-FE protein

    International Nuclear Information System (INIS)

    Eidsness, M.K.; Smith, B.E.; Flood, A.C.; Garner, C.D.; Cramer, S.P.

    1985-01-01

    The nifV mutant nitrogenase enzyme of Klebsiella pheumoniae exhibits altered substrate reducing activity. This nitrogenase mutant cannot fix N 2 in vivo but can reduce C 2 H 2 to C 2 H 4 . The nifV mutant enzyme differs further from the wild-type enzyme by CO inhibition of its H 2 evolution activity, up to 80%. The NifV - phenotype (NifV - Kp1) has been shown to be associated with the iron-molybdenum cofactor (FeMoco) in the Mo Fe protein which is generally accepted as the site for substrate reduction. An X-Ray absorption study of the Mo site in this mutant may reveal a difference in its FeMoco structure. The authors report here a comparison of Mo X-Ray absorption data from the nitrogenase enzymes of the wild-type and NifV - strains in three different forms: (1) as isolated, (2) dye-oxidized, and (3) fixing enzyme systems. Mo edge structure of NifV - Kp1 and wild-type enzymes are nearly identical. Small shifts to higher energies are observed in the oxidized and fixing states. Mo EXAFS of NifV - Kp1 and wild-type in the ''as isolated'' state appear indistinguishable. Curve fitting results best describe the molybdenum in FeMoco as bound by 4-5 S atoms at 2.36 A ,3 Fe atoms at 2.69 A, and 0-2 O(N) atoms at 2.19 A. The spectral similarity of these results concerning the nifV mutant FeMoco structure is discussed

  2. Optical absorption in SrC4H4O6·3H2O crystals

    International Nuclear Information System (INIS)

    Arora, S.K.; Patel, Vipul; Kothari, Anjana; Chudasama, Bhupendra

    2004-01-01

    Study of optical absorption in the gel-grown strontium tartrate trihydrate (STT) single crystals measured in UV-vis range at room temperature reveals transitions involving absorption and emission of phonons. Based on the theory of interband optical absorptions, the electronic transition near the fundamental absorption edge is analysed. Some feeble disorder in the crystal is conceived to be present. The analysis carried out hereunder leads to estimation of energy of the lattice phonons involved

  3. Study of edge plasma properties comparing operation in hydrogen and helium in RFX

    International Nuclear Information System (INIS)

    Spolaore, M.; Antoni, V.; Bagatin, M.; Desideri, D.; Fattorini, L.; Martines, E.; Serianni, G.; Tramontin, L.; Vianello, N.

    2001-01-01

    The properties of the edge plasma in the reversed field pinch RFX have been investigated by comparing the operation in helium with those normally performed in hydrogen. It has been found that a spontaneous velocity shear layer takes place in the edge region also in helium discharges. The edge structure of hydrogen and helium discharges have been interpreted using a momentum balance equation, which takes into account anomalous viscosity and friction with neutrals. The electrostatic turbulence properties are also compared: it is found that electrostatic turbulence drives most of the particle losses and a small fraction of the energy losses also for the He discharges. The modifications of the mean profiles, including the ExB velocity, during PPCD are briefly discussed and compared with the results obtained in hydrogen

  4. Arsenate reduction and methylation in the cells of Trichoderma asperellum SM-12F1, Penicillium janthinellum SM-12F4, and Fusarium oxysporum CZ-8F1 investigated with X-ray absorption near edge structure

    Energy Technology Data Exchange (ETDEWEB)

    Su, S.M., E-mail: shimingsu@163.com [Institute of Environment and Sustainable Development in Agriculture, Chinese Academy of Agricultural Sciences/Key Laboratory of Agro-Environment, Ministry of Agriculture, Beijing (China); Zeng, X.B., E-mail: zengxb@ieda.org.cn [Institute of Environment and Sustainable Development in Agriculture, Chinese Academy of Agricultural Sciences/Key Laboratory of Agro-Environment, Ministry of Agriculture, Beijing (China); Li, L.F.; Duan, R.; Bai, L.Y. [Institute of Environment and Sustainable Development in Agriculture, Chinese Academy of Agricultural Sciences/Key Laboratory of Agro-Environment, Ministry of Agriculture, Beijing (China); Li, A.G.; Wang, J.; Jiang, S. [Shanghai Synchrotron Radiation Facility, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai (China)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer Three fungal strains are capable of As(V) reduction and methylation. Black-Right-Pointing-Pointer As(V) reduction might be more easily processed than the methylation in fungal cells. Black-Right-Pointing-Pointer As sequestration and speciation transformation might be the detoxification processes. - Abstract: Synchrotron radiation-based X-ray absorption near edge structure (XANES) was introduced to directly analysis chemical species of arsenic (As) in the cells of Trichoderma asperellum SM-12F1, Penicillium janthinellum SM-12F4, and Fusarium oxysporum CZ-8F1 capable of As accumulation and volatilisation. After exposure to As(V) of 500 mg L{sup -1} for 15 days, a total of 60.5% and 65.3% of the accumulated As in the cells of T. asperellum SM-12F1 and P. janthinellum SM-12F4, respectively, was As(III), followed by 31.3% and 32.4% DMA (dimethylarsinic acid), 8.3% and 2.3% MMA (monomethylarsonic acid), respectively. However, for F. oxysporum CZ-8F1, 54.5% of the accumulated As was As(III), followed by 37.8% MMA and 7.7% As(V). The reduction and methylation of As(V) formed As(III), MMA, and DMA as the primacy products, and the reduction of As(V) might be more easily processed than the methylation. These results will help to understanding the mechanisms of As detoxification and its future application in bioremediation.

  5. Thin Film Structure of Tetraceno(2,3-B)thiophene Characterized By Grazing Incidence X-Ray Scattering And Near-Edge X-Ray Absorption Fine Structure Analysis

    International Nuclear Information System (INIS)

    Yuan, Q.; Mannsfeld, S.C.B.; Tang, M.L.; Toney, M.F.; Luening, J.; Bao, Z.A.

    2008-01-01

    Understanding the structure-property relationship for organic semiconductors is crucial in rational molecular design and organic thin film process control. Charge carrier transport in organic field-effect transistors predominantly occurs in a few semiconductor layers close to the interface in contact with the dielectric layer, and the transport properties depend sensitively on the precise molecular packing. Therefore, a better understanding of the impact of molecular packing and thin film morphology in the first few monolayers above the dielectric layer on charge transport is needed to improve the transistor performance. In this Article, we show that the detailed molecular packing in thin organic semiconductor films can be solved through a combination of grazing incidence X-ray diffraction (GIXD), near-edge X-ray absorption spectra fine structure (NEXAFS) spectroscopy, energy minimization packing calculations, and structure refinement of the diffraction data. We solve the thin film structure for 2 and 20 nm thick films of tetraceno(2,3-b)thiophene and detect only a single phase for these thicknesses. The GIXD yields accurate unit cell dimensions, while the precise molecular arrangement in the unit cell was found from the energy minimization and structure refinement; the NEXAFS yields a consistent molecular tilt. For the 20 nm film, the unit cell is triclinic with a = 5.96 A, b = 7.71 A, c = 15.16 A, alpha = 97.30 degrees, beta = 95.63 degrees, gamma = 90 degrees; there are two molecules per unit cell with herringbone packing (49-59 degree angle) and tilted about 7 degrees from the substrate normal. The thin film structure is significantly different from the bulk single-crystal structure, indicating the importance of characterizing thin film to correlate with thin film device performance. The results are compared to the corresponding data for the chemically similar and widely used pentacene. Possible effects of the observed thin film structure and morphology on

  6. Experimental studies of a zeeman-tuned xenon laser differential absorption apparatus.

    Science.gov (United States)

    Linford, G J

    1973-06-01

    A Zeeman-tuned cw xenon laser differential absorption device is described. The xenon laser was tuned by axial magnetic fields up to 5500 G generated by an unusually large water-cooled dc solenoid. Xenon laser lines at 3.37 micro, 3.51 micro, and 3.99 micro were tuned over ranges of 6 A, 6 A, and 11 A, respectively. To date, this apparatus has been used principally to study the details of formaldehyde absorption lines lying near the 3 .508-micro xenon laser transition. These experiments revealed that the observed absorption spectrum of formaldehyde exhibits a sufficiently unique spectral structure that the present technique may readily be used to measure relative concentrations of formaldehyde in samples of polluted air.

  7. Basic studies on digestion and absorption in the small intestine, 7

    International Nuclear Information System (INIS)

    Ohki, Masahisa

    1980-01-01

    The absorption of 14 C-labeled fatty acids (caproic acid, oleic acid and stearic acid) was investigated. These were emulsified with an ultrasonic mixer for 60 min, and intestine treated with physiological saline and 10% pluronic F68 solution was used. Caproic acid was absorbed very rapidly and solely through the portal vein. Oleic acid and stearic acid were absorbed slowly through the lymphatics, with the former being absorbed faster. In physiological saline-treated intestine, oleic acid was transported into both the portal vein and lymphatic ducts. 10% Pluronic F68 solution did not change the absorption of caproic acid and oleic acid, but accelerated that of stearic acid. Autoradiographic studies demonstrated that each fatty acid was absorbed into absorptive cells in a different fashion, and long chain fatty acids required a long period of time for transport from the intestinal cells to the circulating blood. (author)

  8. Studies of Water Absorption Behavior of Plant Fibers at Different Temperatures

    Science.gov (United States)

    Saikia, Dip

    2010-05-01

    Moisture absorption of natural fiber plastic composites is one major concern in their outdoor applications. The absorbed moisture has many detrimental effects on the mechanical performance of these composites. A knowledge of the moisture diffusivity, permeability, and solubility is very much essential for the application of natural fibers as an excellent reinforcement in polymers. An effort has been made to study the water absorption behavior of some natural fibers such as bowstring hemp, okra, and betel nut at different temperatures to improve the long-term performance of composites reinforced with these fibers. The gain in moisture content in the fibers due to water absorption was measured as a function of exposure time at temperatures ranging from 300 K to 340 K. The thermodynamic parameters of the sorption process, such as diffusion coefficients and corresponding activation energies, were estimated.

  9. Dipole moments associated with edge atoms; a comparative study on stepped Pt, Au and W surfaces

    International Nuclear Information System (INIS)

    Besocke, K.; Krahl-Urban, B.; Wagner, H.

    1977-01-01

    Work function measurements have been performed on stepped Pt and Au surfaces with (111) terraces and on W surfaces with (110) terraces. In each case the work function decreases linearly with increasing step density and depends on the step orientation. The work function changes are attributed to dipole moments associated with the step edges. The dipole moments per unit step length are larger for open edge structures than for densely packed ones. The dipole moments for Pt are about twice as large as for Au and W. (Auth.)

  10. A preliminary study of iron absorption by whole body counting and correlation with DFO excretion

    International Nuclear Information System (INIS)

    Gupta, M.M.; Bhattacharyya, L.; Gupta, N.K.; Bhola, G.C.; Nagaratnam, A.; Manchanda, R.; Bhargva, M.; Kumar, S.

    1975-01-01

    A preliminary study of iron absorption by oral administration of 59 Fe and whole body counting was carried on a group of 16 women. The cases included 8 patients suffering from iron deficiency anaemia and various infections as well as 8 healthy controls. High iron absorption is associated with iron deficiency, these changes being more marked in iron deficient controls than in those with infection or malignancy. In iron deficient controls results of whole body counting correlate very well with other haematological investigations. (orig.) [de

  11. $\\beta$-decay studies using total absorption techniques some recent results

    CERN Document Server

    Algora, A; García-Borge, M J; Cano-Ott, D; Collatz, R; Courtin, S; Dessagne, P; Fraile-Prieto, L M; Gadea, A; Gelletly, W; Hellström, M; Janas, Z; Jungclaus, A; Karny, M; Kirchner, R; Maréchal, F; Miehé, C; Moroz, F; Nacher, E; Poirier, E; Roeckl, E; Rubio, B; Rykaczewski, K; Scornet, G L; Taín, J L; Tengblad, O; Wittmann, V

    2004-01-01

    $\\beta$-decay experiments, are a primary source of information for nuclear structure studies and at the same time complementary to in-beam investigations far from stability. Although both types of experiment are mainly based on $\\gamma$-ray spectroscopy, they face different experimental problems. The so-called $\\textit{Pandemonium effect}$ is a critical problem in $\\beta$-decay. In this contribution we will present a solution to this problem using total absorption spectroscopy methods. We will also present some examples of experiments carried out with the total absorption spectrometers TAS at GSI and Lucrecia recently installed at CERN. (25 refs).

  12. Beta-decay studies using total absorption techniques: some recent results

    Energy Technology Data Exchange (ETDEWEB)

    Algora, A.; Rubio, B.; Nacher, E.; Cano O, D.; Tain, J.L.; Gadea, A. [lnstituto de Fisica Corpuscular, Apartado Oficial 22085, 46071 Valencia (Spain); Batist, L.; Moroz, F.; Wittmann, V. [St. Petersburg Nuclear Physics Institute, RU-188-350 Gatchina, (Russian Federation); Borge, M.J.G.; Jungclaus, A.; Tengblad, O. [Instituto Estructura de la Materia, E-28006 Madrid (Spain); Collatz, R.; Hellstrom, M.; Kirchner, R.; Roeckl, E. [Gesellschaft fur Schwerionenforschung, D-64291 Darmstadt (Germany); Courtin, H.; Dessagne, Ph.; Miehe, C.; Marechal, F.; Poirier, E. [lnstitut de Recherches Subatomiques, IN2P3-CNRS, F-67037 Strassbourg Cedex 2 (France); Fraile, L.M. [ISOLDE, Division EP, CERN, CH-1211 Geneva (Switzerland); Gelletly, W. [University of Surrey, Guildford GU2 7XH (United Kingdom); Janas, Z.; Karny, M.; Rykaczewski, K. [University of Warsaw, PL-00-681, Warsaw (Poland); Le Scornet, G. [CSNSM, 91405 Orsay (France)

    2004-12-01

    Beta-decay experiments are a primary source of information for nuclear structure studies and at the same time complementary to in-beam investigations far from stability. Although both types of experiment are mainly based on {gamma} ray spectroscopy, they face different experimental problems. The so called Pandemonium effect [1] is a critical problem in {beta}-decay. In this contribution we will present a solution to this problem using total absorption spectroscopy methods. We will also present some examples of experiments carried out with the total absorption spectrometers TAS at GSI and Lucrecia recently installed at CERN. (Author) 25 refs., 4 figs.

  13. A 3-D Computational Study of a Variable Camber Continuous Trailing Edge Flap (VCCTEF) Spanwise Segment

    Science.gov (United States)

    Kaul, Upender K.; Nguyen, Nhan T.

    2015-01-01

    Results of a computational study carried out to explore the effects of various elastomer configurations joining spanwise contiguous Variable Camber Continuous Trailing Edge Flap (VCCTEF) segments are reported here. This research is carried out as a proof-of-concept study that will seek to push the flight envelope in cruise with drag optimization as the objective. The cruise conditions can be well off design such as caused by environmental conditions, maneuvering, etc. To handle these off-design conditions, flap deflection is used so when the flap is deflected in a given direction, the aircraft angle of attack changes accordingly to maintain a given lift. The angle of attack is also a design parameter along with the flap deflection. In a previous 2D study,1 the effect of camber was investigated and the results revealed some insight into the relative merit of various camber settings of the VCCTEF. The present state of the art has not advanced sufficiently to do a full 3-D viscous analysis of the whole NASA Generic Transport Model (GTM) wing with VCCTEF deployed with elastomers. Therefore, this study seeks to explore the local effects of three contiguous flap segments on lift and drag of a model devised here to determine possible trades among various flap deflections to achieve desired lift and drag results. Although this approach is an approximation, it provides new insights into the "local" effects of the relative deflections of the contiguous spanwise flap systems and various elastomer segment configurations. The present study is a natural extension of the 2-D study to assess these local 3-D effects. Design cruise condition at 36,000 feet at free stream Mach number of 0.797 and a mean aerodynamic chord (MAC) based Reynolds number of 30.734x10(exp 6) is simulated for an angle of attack (AoA) range of 0 to 6 deg. In the previous 2-D study, the calculations revealed that the parabolic arc camber (1x2x3) and circular arc camber (VCCTEF222) offered the best L

  14. Experimental study of the interaction between RF antennas and the edge plasma of a tokamak

    International Nuclear Information System (INIS)

    Kubic, Martin

    2013-01-01

    Antennas operating in the ion cyclotron range of frequency (ICRF) provide a useful tool for plasma heating in many tokamaks and are foreseen to play an important role in ITER. However, in addition to the desired heating in the core plasma, spurious interactions with the plasma edge and material boundary are known to occur. Many of these deleterious effects are caused by the formation of radio-frequency (RF) sheaths. The aim of this thesis is to study, mainly experimentally, scrape-off layer (SOL) modifications caused by RF sheaths effects by means of Langmuir probes that are magnetically connected to a powered ICRH antenna. Effects of the two types of Faraday screens' operation on RF-induced SOL modifications are studied for different plasma and antenna configurations - scans of strap power ratio imbalance, injected power and SOL density. In addition to experimental work, the influence of RF sheaths on retarding field analyzer (RFA) measurements of sheath potential is investigated with one-dimensional particle-in-cell code. One-dimensional particle-in-cell simulations show that the RFA is able to measure reliably the sheath potential only for ion plasma frequencies ω π similar to RF cyclotron frequency ω rf , while for the real SOL conditions (ω π ≥ ω rf ), when the RFA is magnetically connected to RF region, it is strongly underestimated. An alternative method to investigate RF sheaths effects is proposed by using broadening of the ion distribution function as an evidence of the RF electric fields in the sheath. RFA measurements in Tore Supra indicate that RF potentials do indeed propagate from the antenna 12 m along magnetic field lines. (author) [fr

  15. Smoothness in Binomial Edge Ideals

    Directory of Open Access Journals (Sweden)

    Hamid Damadi

    2016-06-01

    Full Text Available In this paper we study some geometric properties of the algebraic set associated to the binomial edge ideal of a graph. We study the singularity and smoothness of the algebraic set associated to the binomial edge ideal of a graph. Some of these algebraic sets are irreducible and some of them are reducible. If every irreducible component of the algebraic set is smooth we call the graph an edge smooth graph, otherwise it is called an edge singular graph. We show that complete graphs are edge smooth and introduce two conditions such that the graph G is edge singular if and only if it satisfies these conditions. Then, it is shown that cycles and most of trees are edge singular. In addition, it is proved that complete bipartite graphs are edge smooth.

  16. The team absorptive capacity triad: a configurational study of individual, enabling, and motivating factors

    NARCIS (Netherlands)

    Löwik, Sandor Jan Albert; Kraaijenbrink, Jeroen; Groen, Arend J.

    2016-01-01

    Purpose The paper aims to understand how knowledge-intensive teams can develop and enhance their team absorptive capacity (ACAP) level, by exploring whether individual and organizational factors are complements or substitutes for team ACAP. Design/methodology/approach The study applies a

  17. Ultrafast X-ray absorption study of longitudinal-transverse phonon coupling in electrolyte aqueous solution

    DEFF Research Database (Denmark)

    Jiao, Yishuo; Adams, Bernhard W.; Dohn, Asmus Ougaard

    2017-01-01

    Ultrafast X-ray absorption spectroscopy is applied to study the conversion of longitudinal to transverse phonons in aqueous solution. Permanganate solutes serve as X-ray probe molecules that permit the measurement of the conversion of 13.5 GHz, longitudinal phonons to 27 GHz, transverse phonons...

  18. FDTD/TDSE study of surface-enhanced infrared absorption by metal nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    Chang, S.-H.; Schatz, G. C.; Gray, S. K.; Chemistry; Northwestern Univ.; National Cheng-Kung Univ.

    2006-01-01

    We study surface-enhanced infrared absorption, including multiphoton processes, due to the excitation of surface plasmons on metal nanoparticles. The time-dependent Schroedinger equation and finite-difference time-domain method are self-consistently coupled to treat the problem.

  19. Study of an absorption machine for an ammonia-water system ...

    African Journals Online (AJOL)

    This paper deals with Study of an absorption machine for an ammonia-water system decentralized trigeneration. The effects of evaporator, absorber and boiler temperature on the coefficient of performance of this cycle investigate. Simulation results show that with increasing the evaporator and absorber temperature the ...

  20. The team absorptive capacity triad : a configurational study of individual, enabling, and motivating factors

    NARCIS (Netherlands)

    Lowik, Sandor; Kraaijenbrink, Jeroen; Groen, Aard

    2016-01-01

    Purpose - The paper aims to understand how knowledge-intensive teams can develop and enhance their team absorptive capacity (ACAP) level, by exploring whether individual and organizational factors are complements or substitutes for team ACAP. Design/methodology/approach - The study applies a

  1. Study of cancer cell lines with Fourier transform infrared (FTIR)/vibrational absorption (VA) spectroscopy

    DEFF Research Database (Denmark)

    Uceda Otero, E. P.; Eliel, G. S. N.; Fonseca, E. J. S.

    2013-01-01

    In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes...

  2. Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation

    NARCIS (Netherlands)

    Becker, T.M.; Wang, M.; Kabra, Abhishek; Jamali, S.H.; Ramdin, M.; Dubbeldam, D.; Infante Ferreira, C.A.; Vlugt, T.J.H.

    2018-01-01

    For absorption refrigeration, it has been shown that ionic liquids have the potential to replace conventional working pairs. Due to the huge number of possibilities, conducting lab experiments to find the optimal ionic liquid is infeasible. Here, we provide a proof-of-principle study of an

  3. High Pressure X-ray Absorption Studies on Correlated-Electron Systems

    International Nuclear Information System (INIS)

    Cornelius, Andrew L.

    2016-01-01

    This project used high pressure to alter the electron-electron and electron-lattice interactions in rare earth and actinide compounds. Knowledge of these properties is the starting points for a first-principles understanding of electronic and electronically related macroscopic properties. The research focused on a systematic study of x-ray absorption measurements on rare earth and actinide compounds.

  4. X-ray absorption spectroscopic studies on novel microporous copper containing catalytic systems

    International Nuclear Information System (INIS)

    Bhargava, Suresh K.; Akolekar, Deepak B.; Foran, Garry

    2006-01-01

    Novel copper metal modified microporous aluminosilicate and aluminophosphate catalysts with the high phase purity were synthesized and characterized. CuK-edge XAS measurements were carried out over a series of copper containing SAPO-34 and ZSM-5 catalysts. EXAFS technique was used to obtain specific climacteric information related to the copper atomic distances, coordination and near neighbour environments. EXAFS studies indicated the presence of different of Cu species on ZSM-5/SAPO34 catalysts

  5. Results of Self-Absorption Study on the Versapor 3000 Filters for Radioactive Particulate Air Sampling

    International Nuclear Information System (INIS)

    Barnett, J.M.

    2008-01-01

    Since the mid-1980s the Pacific Northwest National Laboratory (PNNL) has used a value of 0.85 as a correction factor for the self absorption of activity of particulate radioactive air samples. More recently, an effort was made to evaluate the current particulate radioactive air sample filters (Versapor(reg s ign) 3000) used at PNNL for self absorption effects. There were two methods used in the study, (1) to compare the radioactivity concentration by direct gas-flow proportional counting of the filter to the results obtained after acid digestion of the filter and counting again by gas-flow proportional detection and (2) to evaluate sample filters by high resolution visual/infrared microscopy to determine the depth of material loading on or in the filter fiber material. Sixty samples were selected from the archive for acid digestion in the first method and about 30 samples were selected for high resolution visual/infrared microscopy. Mass loading effects were also considered. From the sample filter analysis, large error is associated with the average self absorption factor, however, when the data is compared directly one-to-one, statistically, there appears to be good correlation between the two analytical methods. The mass loading of filters evaluated was <0.2 mg cm-2 and was also compared against other published results. The microscopy analysis shows the sample material remains on the top of the filter paper and does not imbed into the filter media. Results of the microscopy evaluation lead to the conclusion that there is not a mechanism for significant self absorption. The overall conclusion is that self-absorption is not a significant factor in the analysis of filters used at PNNL for radioactive air stack sampling of radionuclide particulates and that an applied correction factor is conservative in determining overall sample activity. A new self absorption factor of 1.0 is recommended

  6. Accuracy evaluation of the optical surface monitoring system on EDGE linear accelerator in a phantom study.

    Science.gov (United States)

    Mancosu, Pietro; Fogliata, Antonella; Stravato, Antonella; Tomatis, Stefano; Cozzi, Luca; Scorsetti, Marta

    2016-01-01

    Frameless stereotactic radiosurgery (SRS) requires dedicated systems to monitor the patient position during the treatment to avoid target underdosage due to involuntary shift. The optical surface monitoring system (OSMS) is here evaluated in a phantom-based study. The new EDGE linear accelerator from Varian (Varian, Palo Alto, CA) integrates, for cranial lesions, the common cone beam computed tomography (CBCT) and kV-MV portal images to the optical surface monitoring system (OSMS), a device able to detect real-time patient׳s face movements in all 6 couch axes (vertical, longitudinal, lateral, rotation along the vertical axis, pitch, and roll). We have evaluated the OSMS imaging capability in checking the phantoms׳ position and monitoring its motion. With this aim, a home-made cranial phantom was developed to evaluate the OSMS accuracy in 4 different experiments: (1) comparison with CBCT in isocenter location, (2) capability to recognize predefined shifts up to 2° or 3cm, (3) evaluation at different couch angles, (4) ability to properly reconstruct the surface when the linac gantry visually block one of the cameras. The OSMS system showed, with a phantom, to be accurate for positioning in respect to the CBCT imaging system with differences of 0.6 ± 0.3mm for linear vector displacement, with a maximum rotational inaccuracy of 0.3°. OSMS presented an accuracy of 0.3mm for displacement up to 1cm and 1°, and 0.5mm for larger displacements. Different couch angles (45° and 90°) induced a mean vector uncertainty < 0.4mm. Coverage of 1 camera produced an uncertainty < 0.5mm. Translations and rotations of a phantom can be accurately detect with the optical surface detector system. Copyright © 2016 American Association of Medical Dosimetrists. Published by Elsevier Inc. All rights reserved.

  7. Book review: Twenty-Five Years on the Cutting Edge of Obsidian Studies: Selected Readings from the IAOS Bulletin

    Directory of Open Access Journals (Sweden)

    Sean Dolan

    2017-03-01

    Full Text Available Edited by Carolyn D. Dillian (Coastal Carolina University, Twenty-Five Years on the Cutting Edge of Obsidian Studies: Selected Readings from the IAOS Bulletin consists of 19 previously published articles from the International Association for Obsidian Studies (IAOS Bulletin. Dillian selected these articles because they provide a range of methodological and theoretical approaches concerning archaeological obsidian studies from around the world like Eretria, California, and the Near East, for example.

  8. Electronic structure study of Co doped CeO2 nanoparticles using X-ray absorption fine structure spectroscopy

    International Nuclear Information System (INIS)

    Kumar, Shalendra; Gautam, Sanjeev; Song, T.K.; Chae, Keun Hwa; Jang, K.W.; Kim, S.S.

    2014-01-01

    Highlights: • The electronic structural of Co–CeO 2 nanoparticles is investigated using XAFS. • Ce M 5,4 , Ce L 3 and O K edge NEXAFS reveal that the Ce-ions are in +4 valence state. • The NEXAFS spectrum performed at Co L3,2-edge confirms Co-ion in 2+ state. • The EXAFS analysis also show that Co ions are occupying Ce position in doped CeO 2 . • The distances between Ce–O and Ce–Ce/Co in all shells decreases with Co doping. - Abstract: We investigated the electronic structure of well characterized Co doped CeO 2 nanoparticles using X-ray absorption fine structure (XAFS) spectroscopy. Near edge X-ray absorption fine structure (NEXAFS) spectra at Ce M 5,4 , Ce L 3 and O K-edge conclude that the Ce-ions are in +4 valence state in pure as well as in Co doped CeO 2 nanoparticles. The local structure around Ce-atom in Co doped CeO 2 nanoparticles was also determined using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce L 3 edge. The EXAFS analysis suggest that the inter-atomic distance of Ce–O, Ce–Ce/Co decreases with Co doping, which indicate a contraction of the lattice. The decease in Ce–O distance also reflect that there is a formation of oxygen vacancies in CeO 2 matrix. The Debye–Waller factor also shows the consistent behaviour for all the coordination shells. The atomic multiplet calculations for Co L 3,2 -edge was performed to determine the valence state, symmetry and field splitting, which reflect that Co-ions are in 2+ state and substituted at Ce-site with crystal field splitting of 10Dq=-0.57eV. The XAFS measurements reveal that the Co-ions occupy the Ce position in the CeO 2 host matrix and create a oxygen vacancy

  9. Transition state region in the A-Band photodissociation of allyl iodide—A femtosecond extreme ultraviolet transient absorption study

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacherjee, Aditi, E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu; Attar, Andrew R., E-mail: abhattacherjee@berkeley.edu, E-mail: andrewattar@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Leone, Stephen R., E-mail: srl@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States)

    2016-03-28

    Femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy based on a high-harmonic generation source is used to study the 266 nm induced A-band photodissociation dynamics of allyl iodide (CH{sub 2} =CHCH{sub 2}I). The photolysis of the C—I bond at this wavelength produces iodine atoms both in the ground ({sup 2}P{sub 3/2}, I) and spin-orbit excited ({sup 2}P{sub 1/2}, I*) states, with the latter as the predominant channel. Using XUV absorption at the iodine N{sub 4/5} edge (45–60 eV), the experiments constitute a direct probe of not only the long-lived atomic iodine reaction products but also the fleeting transition state region of the repulsive n{sub I}σ{sup ∗}{sub C—I} excited states. Specifically, three distinct features are identified in the XUV transient absorption spectrum at 45.3 eV, 47.4 eV, and 48.4 eV (denoted transients A, B, and C, respectively), which arise from the repulsive valence-excited nσ{sup ∗} states and project onto the high-lying core-excited states of the dissociating molecule via excitation of 4d(I) core electrons. Transients A and B originate from 4d(I) → n(I) core-to-valence transitions, whereas transient C is best assigned to a 4d(I) →σ{sup ∗}(C—I) transition. The measured differential absorbance of these new features along with the I/I* branching ratios known from the literature is used to suggest a more definitive assignment, albeit provisional, of the transients to specific dissociative states within the A-band manifold. The transients are found to peak around 55 fs–65 fs and decay completely by 145 fs–185 fs, demonstrating the ability of XUV spectroscopy to map the evolution of reactants into products in real time. The similarity in the energies of transients A and B with analogous features observed in methyl iodide [Attar et al. J. Phys. Chem. Lett. 6, 5072, (2015)] together with the new observation of transient C in the present work provides a more complete picture of the valence electronic

  10. Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Chopra, Siddheshwar, E-mail: schopra1@amity.edu

    2017-01-15

    Graphene/polyvinylidene fluoride (graphene/PVDF) nanocomposites were studied using Density functional theory (DFT)/Time dependent density functional theory (TDDFT) calculations. Five nanocomposite configurations were constructed. Electronic properties like binding energy, electronic gap and work function were calculated. The most stable structure was determined. The electronic gap of graphene shifts from semiconducting to conducting, on nanocomposite formation. Workfunction of the most stable nanocomposite was 4.34eV ± 0.05eV, close to that of the pristine graphene (4.33eV ± 0.05eV). Thermochemical analysis showed that the adsorption is spontaneous above ∼870 K, and endothermic in nature. TDDFT calculations were performed for B3LYP, LSDA, BHHLYP and PBE0 functionals. B3LYP and PBE0 are suitable in describing optical absorption. Optical gap of graphene shrinks, and light absorption gets enhanced on nanocomposite formation. - Highlights: • Various properties of graphene-PVDF nanocomposites were studied theoretically. • Electronic gap of graphene shifts to conducting nature, on composite formation. • Adsorption is spontaneous above ∼870 K, and endothermic in nature. • B3LYP and PBE0 functionals are suitable in describing absorption. • Optical absorption gets enhanced on nanocomposite formation.

  11. Electronic properties and optical absorption of graphene-polyvinylidene fluoride nanocomposites: A theoretical study

    International Nuclear Information System (INIS)

    Chopra, Siddheshwar

    2017-01-01

    Graphene/polyvinylidene fluoride (graphene/PVDF) nanocomposites were studied using Density functional theory (DFT)/Time dependent density functional theory (TDDFT) calculations. Five nanocomposite configurations were constructed. Electronic properties like binding energy, electronic gap and work function were calculated. The most stable structure was determined. The electronic gap of graphene shifts from semiconducting to conducting, on nanocomposite formation. Workfunction of the most stable nanocomposite was 4.34eV ± 0.05eV, close to that of the pristine graphene (4.33eV ± 0.05eV). Thermochemical analysis showed that the adsorption is spontaneous above ∼870 K, and endothermic in nature. TDDFT calculations were performed for B3LYP, LSDA, BHHLYP and PBE0 functionals. B3LYP and PBE0 are suitable in describing optical absorption. Optical gap of graphene shrinks, and light absorption gets enhanced on nanocomposite formation. - Highlights: • Various properties of graphene-PVDF nanocomposites were studied theoretically. • Electronic gap of graphene shifts to conducting nature, on composite formation. • Adsorption is spontaneous above ∼870 K, and endothermic in nature. • B3LYP and PBE0 functionals are suitable in describing absorption. • Optical absorption gets enhanced on nanocomposite formation.

  12. Edge effects in composites

    International Nuclear Information System (INIS)

    Guz, A.N.; Kokhanenko, Yu.V.

    1995-01-01

    In the present article we survey papers on edge effects investigated by the rigorous approach. We interpret edge effects as stressed states created in a composite as a result of zones in which the stresses exhibit a rapidly changing behavior in comparison with the slow variation of the stresses outside such zones. Here the range of the edge effect is defined as the distance from the point of its inception to the boundary of the edge zone in a given direction. The transition of the stresses to the slowly varying state is determined within prescribed error limits. The size and configuration of the edge zone depends on the tolerated error. Clearly, the main difficulty associated with the rigorous approach is finding solutions of the elasticity problems. The finite-difference approach is suggested for the approximate solution of these problems. In light of the comparative time consumption of the finite-difference approach, it is best directed at certain classes of problems rather than at particular individual problems. Not too many papers on the investigation of edge effects by the rigorous approach have been published to date. Below, following in their footsteps, we formulate edge effect problems in composites, determine classes of problems, and investigate edge effects in composite materials and structural elements using them in Cartesian (planar and three-dimensional problems) and cylindrical (axisymmetric problems) coordinate frames. We note that the division of approaches to the study of edge effects into qualitative (nonrigorous) and quantitative (rigorous) reflects the authors own point of view. Of course, other schemes of classification of the approaches to the investigation of the regions of rapidly varying states in composites are possible

  13. Near edge x-ray spectroscopy theory

    International Nuclear Information System (INIS)

    1994-01-01

    We propose to develop a quantitative theory of x-ray spectroscopies in the near edge region, within about 100 eV of threshold. These spectroscopies include XAFS (X-ray absorption fine structure), photoelectron diffraction (PD), and diffraction anomalous fine structure (DAFS), all of which are important tools for structural studies using synchrotron radiation x-ray sources. Of primary importance in these studies are many-body effects, such as the photoelectron self-energy, and inelastic losses. A better understanding of these quantities is needed to obtain theories without adjustable parameters. We propose both analytical and numerical calculations, the latter based on our x-ray spectroscopy codes FEFF

  14. Structural study of thin films prepared from tungstate glass matrix by Raman and X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Montanari, Bianca; Barbosa, Anne J.; Ribeiro, Sidney J.L.; Messaddeq, Younes [Departamento de Quimica Geral e Inorganica, Instituto de Quimica, UNESP, CP 355, CEP 14800-900 Araraquara, SP (Brazil); Poirier, Gael [Departamento de Ciencias Exatas, UNIFAL-MG, CEP 37130-000 Alfenas, MG (Brazil)], E-mail: gael@unifal-mg.edu.br; Li, Maximo S. [Instituto de Fisica, USP, CP 369, CEP 13560-970 Sao Carlos, SP (Brazil)

    2008-06-30

    Thin films were prepared using glass precursors obtained in the ternary system NaPO{sub 3}-BaF{sub 2}-WO{sub 3} and the binary system NaPO{sub 3}-WO{sub 3} with high concentrations of WO{sub 3} (above 40% molar). Vitreous samples have been used as a target to prepare thin films. Such films were deposited using the electron beam evaporation method onto soda-lime glass substrates. Several structural characterizations were performed by Raman spectroscopy and X-ray Absorption Near Edge Spectroscopy (XANES) at the tungsten L{sub I} and L{sub III} absorption edges. XANES investigations showed that tungsten atoms are only sixfold coordinated (octahedral WO{sub 6}) and that these films are free of tungstate tetrahedral units (WO{sub 4}). In addition, Raman spectroscopy allowed identifying a break in the linear phosphate chains as the amount of WO{sub 3} increases and the formation of P-O-W bonds in the films network indicating the intermediary behavior of WO{sub 6} octahedra in the film network. Based on XANES data, we suggested a new attribution of several Raman absorption bands which allowed identifying the presence of W-O{sup -} and W=O terminal bonds and a progressive apparition of W-O-W bridging bonds for the most WO{sub 3} concentrated samples (above 40% molar) attributed to the formation of WO{sub 6} clusters.

  15. Kinetic study of carbon dioxide absorption into glycine promoted diethanolamine (DEA)

    Science.gov (United States)

    Pudjiastuti, Lily; Susianto, Altway, Ali; IC, Maria Hestia; Arsi, Kartika

    2015-12-01

    In industry, especially petrochemical, oil and natural gas industry, required separation process of CO2 gas which is a corrosive gas (acid gas). This characteristic can damage the plant utility and piping systems as well as reducing the caloric value of natural gas. Corrosive characteristic of CO2 will appear in areas where there is a decrease in temperature and pressure, such as at the elbow pipe, tubing, cooler and injector turbine. From disadvantages as described above, then it is important to do separation process in the CO2 gas stream, one of the method for remove CO2 from the gas stream is reactive absorption using alkanolamine based solution with promotor. Therefore, this study is done to determine the kinetics constant of CO2 absorption in diethanolamine (DEA) solution using a glycine promoter. Glycine is chosen as a promoter because glycine is a primary amine compound which is reactive, moreover, glycine has resistance to high temperatures so it will not easy to degradable and suitable for application in industry. The method used in this study is absorption using laboratory scale wetted wall column equipment at atmospheric of pressure. This study will to provide the reaction kinetics data information in order to optimize the separation process of CO2 in the industrialized world. The experimental results show that rising temperatures from 303,15 - 328,15 K and the increase of concentration of glycine from 1% - 3% weight will increase the absorption rate of carbon dioxide in DEA promoted with glycine by 24,2% and 59,764% respectively, also the reaction kinetic constant is 1.419 × 1012 exp (-3634/T) (m3/kmol.s). This result show that the addition of glycine as a promoter can increase absorption rate of carbon dioxide in diethanolamine solution and cover the weaknesses of diethanolamine solution.

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

    Science.gov (United States)

    Mahnam, Karim; Raisi, Fatame

    2017-03-01

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

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

    Science.gov (United States)

    Sindhupakorn, Bura; Thienpratharn, Suwittaya; Kidkhunthod, Pinit

    2017-10-01

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

  18. Covalency in lanthanides. An X-ray absorption spectroscopy and density functional theory study of LnCl6(x-) (x = 3, 2).

    Science.gov (United States)

    Löble, Matthias W; Keith, Jason M; Altman, Alison B; Stieber, S Chantal E; Batista, Enrique R; Boland, Kevin S; Conradson, Steven D; Clark, David L; Lezama Pacheco, Juan; Kozimor, Stosh A; Martin, Richard L; Minasian, Stefan G; Olson, Angela C; Scott, Brian L; Shuh, David K; Tyliszczak, Tolek; Wilkerson, Marianne P; Zehnder, Ralph A

    2015-02-25

    Covalency in Ln-Cl bonds of Oh-LnCl6(x-) (x = 3 for Ln = Ce(III), Nd(III), Sm(III), Eu(III), Gd(III); x = 2 for Ln = Ce(IV)) anions has been investigated, primarily using Cl K-edge X-ray absorption spectroscopy (XAS) and time-dependent density functional theory (TDDFT); however, Ce L3,2-edge and M5,4-edge XAS were also used to characterize CeCl6(x-) (x = 2, 3). The M5,4-edge XAS spectra were modeled using configuration interaction calculations. The results were evaluated as a function of (1) the lanthanide (Ln) metal identity, which was varied across the series from Ce to Gd, and (2) the Ln oxidation state (when practical, i.e., formally Ce(III) and Ce(IV)). Pronounced mixing between the Cl 3p- and Ln 5d-orbitals (t2g* and eg*) was observed. Experimental results indicated that Ln 5d-orbital mixing decreased when moving across the lanthanide series. In contrast, oxidizing Ce(III) to Ce(IV) had little effect on Cl 3p and Ce 5d-orbital mixing. For LnCl6(3-) (formally Ln(III)), the 4f-orbitals participated only marginally in covalent bonding, which was consistent with historical descriptions. Surprisingly, there was a marked increase in Cl 3p- and Ce(IV) 4f-orbital mixing (t1u* + t2u*) in CeCl6(2-). This unexpected 4f- and 5d-orbital participation in covalent bonding is presented in the context of recent studies on both tetravalent transition metal and actinide hexahalides, MCl6(2-) (M = Ti, Zr, Hf, U).

  19. Study on Relative COP Changes with Increasing Heat Input Temperatures of Double Effect Steam Absorption Chillers

    Directory of Open Access Journals (Sweden)

    Abd Majid Mohd Amin

    2016-01-01

    Full Text Available Absorption chillers at cogeneration plants generate chilled water using steam supplied by heat recovery steam generators. The chillers are mainly of double effect type. The COP of double effect varies from 0.7 to 1.2 depending on operation and maintenance practices of the chillers. Heat input to the chillers during operations could have impact on the COP of the chillers. This study is on relative COP changes with increasing the heat input temperatures for a steam absorption chiller at a gas fueled cogeneration plant. Reversible COP analysis and zero order model were used for evaluating COP of the chiller for 118 days operation period. Results indicate increasing COP trends for both the reversible COP and zero model COP. Although the zero model COP are within the range of double effect absorption chiller, it is not so for the actual COP. The actual COP is below the range of normal double effect COP. It is recommended that economic replacement analysis to be undertaken to assess the feasibility either to repair or replace the existing absorption chiller.

  20. Study on the prediction of visible absorption maxima of azobenzene compounds

    Science.gov (United States)

    Liu, Jun-na; Chen, Zhi-rong; Yuan, Shen-feng

    2005-01-01

    The geometries of azobenzene compounds are optimized with B3LYP/6-311G* method, and analyzed with nature bond orbital, then their visible absorption maxima are calculated with TD-DFT method and ZINDO/S method respectively. The results agree well with the observed values. It was found that for the calculation of visible absorption using ZINDO/S method could rapidly yield better results by adjusting OWFπ-π (the relationship between π-π overlap weighting factor) value than by the TD-DFT method. The method of regression showing the linear relationship between OWFπ-π and BLN-N (nitrogen-nitrogen bond lengths) as OWF π-π=−8.1537+6.5638BL N-N, can be explained in terms of quantum theory, and also be used for prediction of visible absorption maxima of other azobenzne dyes in the same series. This study on molecules’ orbital geometry indicates that their visible absorption maxima correspond to the electron transition from HOMO (the highest occupied molecular orbital) to LUMO (the lowest unoccupied molecular orbital). PMID:15909349

  1. Absorption Refrigeration Cycles with Ammonia-Ionic Liquid Working Pairs Studied by Molecular Simulation.

    Science.gov (United States)

    Becker, Tim M; Wang, Meng; Kabra, Abhishek; Jamali, Seyed Hossein; Ramdin, Mahinder; Dubbeldam, David; Infante Ferreira, Carlos A; Vlugt, Thijs J H

    2018-04-18

    For absorption refrigeration, it has been shown that ionic liquids have the potential to replace conventional working pairs. Due to the huge number of possibilities, conducting lab experiments to find the optimal ionic liquid is infeasible. Here, we provide a proof-of-principle study of an alternative computational approach. The required thermodynamic properties, i.e., solubility, heat capacity, and heat of absorption, are determined via molecular simulations. These properties are used in a model of the absorption refrigeration cycle to estimate the circulation ratio and the coefficient of performance. We selected two ionic liquids as absorbents: [emim][Tf 2 N], and [emim][SCN]. As refrigerant NH 3 was chosen due to its favorable operating range. The results are compared to the traditional approach in which parameters of a thermodynamic model are fitted to reproduce experimental data. The work shows that simulations can be used to predict the required thermodynamic properties to estimate the performance of absorption refrigeration cycles. However, high-quality force fields are required to accurately predict the cycle performance.

  2. Absorption Refrigeration Cycles with Ammonia–Ionic Liquid Working Pairs Studied by Molecular Simulation

    Science.gov (United States)

    2018-01-01

    For absorption refrigeration, it has been shown that ionic liquids have the potential to replace conventional working pairs. Due to the huge number of possibilities, conducting lab experiments to find the optimal ionic liquid is infeasible. Here, we provide a proof-of-principle study of an alternative computational approach. The required thermodynamic properties, i.e., solubility, heat capacity, and heat of absorption, are determined via molecular simulations. These properties are used in a model of the absorption refrigeration cycle to estimate the circulation ratio and the coefficient of performance. We selected two ionic liquids as absorbents: [emim][Tf2N], and [emim][SCN]. As refrigerant NH3 was chosen due to its favorable operating range. The results are compared to the traditional approach in which parameters of a thermodynamic model are fitted to reproduce experimental data. The work shows that simulations can be used to predict the required thermodynamic properties to estimate the performance of absorption refrigeration cycles. However, high-quality force fields are required to accurately predict the cycle performance. PMID:29749996

  3. Edge Simulation Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Krasheninnikov, Sergei I. [Univ. of California, San Diego, CA (United States); Angus, Justin [Univ. of California, San Diego, CA (United States); Lee, Wonjae [Univ. of California, San Diego, CA (United States)

    2018-01-05

    The goal of the Edge Simulation Laboratory (ESL) multi-institutional project is to advance scientific understanding of the edge plasma region of magnetic fusion devices via a coordinated effort utilizing modern computing resources, advanced algorithms, and ongoing theoretical development. The UCSD team was involved in the development of the COGENT code for kinetic studies across a magnetic separatrix. This work included a kinetic treatment of electrons and multiple ion species (impurities) and accurate collision operators.

  4. Exploratory study of the effects of wing-leading-edge modifications on the stall/spin behavior of a light general aviation airplane

    Science.gov (United States)

    1979-01-01

    Configurations with full-span and segmented leading-edge flaps and full-span and segmented leading-edge droop were tested. Studies were conducted with wind-tunnel models, with an outdoor radio-controlled model, and with a full-scale airplane. Results show that wing-leading-edge modifications can produce large effects on stall/spin characteristics, particularly on spin resistance. One outboard wing-leading-edge modification tested significantly improved lateral stability at stall, spin resistance, and developed spin characteristics.

  5. Active probing of plasma edge turbulence and feedback studies on the Texas Experimental Tokamak (TEXT)

    International Nuclear Information System (INIS)

    Uckan, T.; Richards, B.; Bengtson, R.D.

    1993-08-01

    A novel experiment is under way on the Texas Experimental Tokamak (TEXT) to actively modify the turbulence at the plasma edge by launching waves using electrostatic probes in the shadow of the limiter. The experiments are carried out with a wave launching system consisting of two Langmuir probes, which are about 1.8 cm apart in the poloidal direction, with respect to the magnetic field. These probes are operated in the electron side of the (I,V) characteristic. The probe tips are fed separately by independent ac power supplies. Measurements indicate that the wave, launched with a typical frequency image of 15--50 kHz from the edge of the machine top, is received by sensing probes located halfway around the torus. The detected signal strength depends on the frequency of the wave, the plasma current, and the phasing of the applied ac signal between the launching probes. Modifications to the spectra of the density and potential fluctuations are observed. These experiments have been extended to control of the edge plasma fluctuation level using feedback to explore its effects on confinement. When the launcher is driven by the floating potential of the fluctuating plasma at the location of the launching probes, then the fluctuations are suppressed or excited, depending on the phasing between the probe tips, both locally and at the downstream sensing probes. The fluctuation-induced particle flux also varies with the feedback phasing

  6. PIV study of flow around unsteady airfoil with dynamic trailing-edge flap deflection

    Energy Technology Data Exchange (ETDEWEB)

    Gerontakos, P.; Lee, T. [McGill University, Department of Mechanical Engineering, Montreal, Quebec (Canada)

    2008-12-15

    The flow around an oscillating NACA 0015 airfoil with prescheduled trailing-edge flap motion control was investigated by using particle image velocimetry (PIV). Aerodynamic load coefficients, obtained via surface pressure measurements, were also acquired to supplement the PIV results. The results demonstrate that upward flap deflections led to an improved negative peak pitching moment coefficient C{sub m,peak}, mainly as a consequence of the increased suction pressure on the lower surface of the flap. The behavior of the leading-edge vortex (LEV) was largely unaffected. Its strength was, however, reduced slightly compared to that of the uncontrolled airfoil. No trailing-edge vortex was observed. For downward flap deflection, the strength of the LEV was found to be slightly increased. A favorable increase in C{sub l,max}, as a consequence of downward flap-induced positive camber effects, accompanied by a detrimental increase in the nose-down C{sub m,peak}, due to the large pressure increase on the lower surface of the flap, was also observed. (orig.)

  7. Impurity Control Test Facility (ICTF) for the study of fusion reactor plasma/edge materials interactions

    International Nuclear Information System (INIS)

    Brooks, J.N.; Mattas, R.F.; Ehst, D.A.; Boley, C.D.; Hershkowitz, N.

    1984-05-01

    A test facility for investigating many of the impurity control issues associated with the interactions of materials with the plasma edge is outlined. Analysis indicates that the plasma edge conditions expected in TFCX, INTOR, etc. can be readily produced at the end cells of an rf stabilized mirror, similar in some respects to the Phaedrus device at the University of Wisconsin. A steady-state, Impurity Control Test Facility (ICTF) based on such a mirror device is expected to produce a plasma with typical parameters of n/sub e/ approx. 3 x 10 18 m -3 , T/sub e/ = 50 eV, and T/sub i/ = 100 eV at each end cell. A heat load of approx. 2 MW/m 2 over areas of approx. 1600 cm 2 could be produced at each end with 800 kW of ICRH power. These conditions would provide a unique capability for examining issues such as erosion/redeposition behavior, properties of redeposited materials, high recycling regimes, plasma edge operating limits for high-Z materials, and particle pumping efficiencies for limiter and divertor designs

  8. Comparative study of the tests of fat absorption using triolein or oleic acid labelled with 131I and 14C

    International Nuclear Information System (INIS)

    Grenier, J.F.; Dauchel, J.; Eloy, M.R.; Mendel, C.; Privat, J.P.

    1976-01-01

    Studies of the absorption of radioiodinated fats introduced into the lumen of isolated intestinal loops of dogs have shown that these compounds are promptly and to a large extent dehalogenated, not only in the small bowel, but also in the colon. Further comparative experimental studies on dogs and patients, using 14 C-labelled fats, have demonstrated that the absorption of the mineral 131 I and of the fats is not simultaneous. Therefore, the use of triolein labelled with 131 I to measure fat absorption should be abandoned. However, it is concluded that tests of intestinal absorption using 14 C-labelled triolein are of great interest. (author)

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

    International Nuclear Information System (INIS)

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

    2010-01-01

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

  10. X-Ray Absorption Studies of Vanadium-Containing Metal Oxide Nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Hohn, Keith, L.

    2006-01-09

    Metal oxide nanocrystals offer significant potential for use as catalysts or catalyst supports due to their high surface areas and unique chemical properties that result from the high number of exposed corners and edges. However, little is known about the catalytic activity of these materials, especially as oxidation catalysts. This research focused on the preparation, characterization and use of vanadium-containing nanocrystals as selective oxidation catalysts. Three vanadium-containing nanocrystals were prepared using a modified sol-gel procedure: V/MgO, V/SiO2, and vanadium phosphate (VPO). These represent active oxidation catalysts for a number of industrially relevant reactions. The catalysts were characterized by x-ray diffraction and Raman, UV-VIS, infrared and x-ray absorption spectroscopies with the goal of determining the primary structural and chemical differences between nanocrystals and microcrystals. The catalytic activity of these catalysts was also studied in oxidative dehydrogenation of butane and methanol oxidation to formaldehyde. V/MgO nanocrystals were investigated for activity in oxidative dehydrogenation of butane and compared to conventional V/MgO catalysts. Characterization of V/MgO catalysts using Raman spectroscopy and x-ray absorption spectroscopy showed that both types of catalysts contained magnesium orthovanadate at vanadium loadings below 15 weight%, but above that loading, magnesium pyrovanadate may have been present. In general, MgO nanocrystals had roughly half the crystal size and double the surface area of the conventional MgO. In oxidative dehydrogenation of butane, nanocrystalline V/MgO gave higher selectivity to butene than conventional V/MgO at the same conversion. This difference was attributed to differences in vanadium domain size resulting from the higher surface areas of the nanocrystalline support, since characterization suggested that similar vanadium phases were present on both types of catalysts. Experiments in

  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. Edge Detection,

    Science.gov (United States)

    1985-09-01

    PROJECT. T ASK0 Artificial Inteligence Laboratory AREA It WORK UNIT NUMBERS V 545 Technology Square ( Cambridge, HA 02139 I I* CONTOOL1LIN@4OFFICE NAME...ARD-A1t62 62 EDGE DETECTION(U) NASSACNUSETTS INST OF TECH CAMBRIDGE 1/1 ARTIFICIAL INTELLIGENCE LAB E C HILDRETH SEP 85 AI-M-8 N99SI4-8S-C-6595...used to carry out this analysis. cce~iO a N) ’.~" D LI’BL. P p ------------ Sj. t i MASSACHUSETTS INSTITUTE OF TECHNOLOGY i ARTIFICIAL INTELLIGENCE

  13. Gyrokinetic neoclassical study of the bootstrap current in the tokamak edge pedestal with fully non-linear Coulomb collisions

    Energy Technology Data Exchange (ETDEWEB)

    Hager, Robert, E-mail: rhager@pppl.gov; Chang, C. S., E-mail: cschang@pppl.gov [Princeton Plasma Physics Laboratory, P.O. Box 451, Princeton, New Jersey 08543 (United States)

    2016-04-15

    As a follow-up on the drift-kinetic study of the non-local bootstrap current in the steep edge pedestal of tokamak plasma by Koh et al. [Phys. Plasmas 19, 072505 (2012)], a gyrokinetic neoclassical study is performed with gyrokinetic ions and drift-kinetic electrons. Besides the gyrokinetic improvement of ion physics from the drift-kinetic treatment, a fully non-linear Fokker-Planck collision operator—that conserves mass, momentum, and energy—is used instead of Koh et al.'s linearized collision operator in consideration of the possibility that the ion distribution function is non-Maxwellian in the steep pedestal. An inaccuracy in Koh et al.'s result is found in the steep edge pedestal that originated from a small error in the collisional momentum conservation. The present study concludes that (1) the bootstrap current in the steep edge pedestal is generally smaller than what has been predicted from the small banana-width (local) approximation [e.g., Sauter et al., Phys. Plasmas 6, 2834 (1999) and Belli et al., Plasma Phys. Controlled Fusion 50, 095010 (2008)], (2) the plasma flow evaluated from the local approximation can significantly deviate from the non-local results, and (3) the bootstrap current in the edge pedestal, where the passing particle region is small, can be dominantly carried by the trapped particles in a broad trapped boundary layer. A new analytic formula based on numerous gyrokinetic simulations using various magnetic equilibria and plasma profiles with self-consistent Grad-Shafranov solutions is constructed.

  14. Intrinsic and extrinsic labeling for studies of manganese absorption in humans

    International Nuclear Information System (INIS)

    Davidsson, L.; Cederblad, A.; Hagebo, E.; Loennerdal, B.S.; Sandstroem, B.

    1988-01-01

    A dual-radioisotope method was used to simultaneously study whole-body manganese retention from a chicken liver based meal intrinsically labeled with 54 Mn and extrinsically labeled with 52 Mn. Manganese retention was monitored in a sensitive whole-body counter during approximately 30 d in six young adult women. Both radioisotopes were retained to a similar degree and excreted at identical rates. Retention at d 5 was 14.4 +/- 10.3 and 14.0 +/- 9.9% while retention at d 10 was 5.0 +/- 3.1 and 5.0 +/- 3.0% (X +/- SD) for 54 Mn and 52 Mn, respectively. From these results we conclude that the intrinsic and extrinsic Mn isotopes did form a common pool before absorption. The results can therefore be regarded as a direct validation of the use of extrinsic labeling for studies of Mn retention for estimating Mn absorption in man

  15. Autoradiographic study on percutaneous absorption of several oils useful for cosmetics

    International Nuclear Information System (INIS)

    Suzuki, M.; Asaba, K.; Komatsu, H.; Mochizuka, M.

    1978-01-01

    Percutaneous absorption of five 14 C-labelled oils, n-octadecane, decanoxy decane, 2-hexyldecanoxy octane, isopropyl myristate and glyceryl tri-(oleate), commonly used is cosmetics were studied from the point of view of their safety. In whole body autoradiography of hairless mice, there was no visible penetration into the skin and organs, whereas microautoradiography of guinea pigs showed local penetration. Isopropyl myristate penetrated to the greatest extent, whereas 2-hexyldecanoxy octane was hardly absorbed. Percutaneous absorption of these two oils, therefore, was examined in Angora rabbits by microautoradiography simultaneously with skin irritation potential by a histological method, from the following aspects, (1) patterns of penetration and irritation in relation to application time and (2) fate within the skin and pattern of irritation after application. In addition, intradermal metabolic fate was studied in vivo. (author)

  16. Absorption and fluorescence studies of curcumin bound to liposomes and lymphocytes: effect of {gamma}- irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Kunwar, Amit; Barik, A; Indira Priyadarsini, K [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Mumbai (India); Pandey, R [Radiation Biology and Health Sciences Division, Bhabha Atomic Research Centre, Mumbai (India)

    2006-01-15

    Absorption and fluorescence spectral changes in curcumin were employed to follow its binding to liposomes and lymphocytes. The association constants indicated high affinity of curcumin to liposomes. Tumor lymphocytes show mere intense fluorescence of curcumin over the normal lymphocytes. The loss of curcumin in cells after {gamma}-irradiation could be followed by reduction in curcumin fluorescence. The studies indicate that such fluorescence changes can be used as markers to understand the preferential loading of curcumin to cells. (author)

  17. Absorption and fluorescence studies of curcumin bound to liposomes and lymphocytes: effect of γ- irradiation

    International Nuclear Information System (INIS)

    Kunwar, Amit; Barik, A.; Indira Priyadarsini, K.; Pandey, R.

    2006-01-01

    Absorption and fluorescence spectral changes in curcumin were employed to follow its binding to liposomes and lymphocytes. The association constants indicated high affinity of curcumin to liposomes. Tumor lymphocytes show mere intense fluorescence of curcumin over the normal lymphocytes. The loss of curcumin in cells after γ-irradiation could be followed by reduction in curcumin fluorescence. The studies indicate that such fluorescence changes can be used as markers to understand the preferential loading of curcumin to cells. (author)

  18. Atomic structure of machined semiconducting chips: An x-ray absorption spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Paesler, M.; Sayers, D.

    1988-12-01

    X-ray absorption spectroscopy (XAS) has been used to examine the atomic structure of chips of germanium that were produced by single point diamond machining. It is demonstrated that although the local (nearest neighbor) atomic structure is experimentally quite similar to that of single crystal specimens information from more distant atoms indicates the presence of considerable stress. An outline of the technique is given and the strength of XAS in studying the machining process is demonstrated.

  19. Radial electric field studies in the plasma edge of ASDEX upgrade

    International Nuclear Information System (INIS)

    Viezzer, Eleonora

    2012-01-01

    In magnetically confined fusion plasmas, edge transport barriers (ETBs) are formed during the transition from a highly turbulent state (low confinement regime, L-mode) to a high energy confinement regime (H-mode) with reduced turbulence and transport. The performance of an H-mode fusion plasma is highly dependent on the strength of the ETB which extends typically over the outermost 5% of the confined plasma. The formation of the ETB is strongly connected to the existence of a sheared plasma flow perpendicular to the magnetic field caused by a local radial electric field E r . The gradients in E r and the accompanying E x B velocity shear play a fundamental role in edge turbulence suppression, transport barrier formation and the transition to H-mode. Thus, the interplay between macroscopic flows and transport at the plasma edge is of crucial importance to understanding plasma confinement and stability. The work presented in this thesis is based on charge exchange recombination spectroscopy (CXRS) measurements performed at the plasma edge of the ASDEX Upgrade (AUG) tokamak. During this thesis new high-resolution CXRS diagnostics were installed at the outboard and inboard miplane of AUG, which provide measurements of the temperature, density and flows of the observed species. From these measurements the radial electric field can be directly determined via the radial force balance equation. The new CXRS measurements, combined with the other edge diagnostics available at AUG, allow for an unprecedented, high-accuracy localization (2-3 mm) of the E r profile. The radial electric field has been derived from charge exchange spectra measured on different impurity species including He 2+ , B 5+ , C 6+ and Ne 10+ . The resulting E r profiles are found to be identical within the uncertainties regardless of the impurity species used, thus demonstrating the validity of the diagnostic technique. Inside the ETB the E r profile forms a deep, negative (i.e. directed towards the

  20. 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