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Sample records for edge absorption studies

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

    Indian Academy of Sciences (India)

    Abstract. 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 241Am source after Compton scattering from an aluminium target. Pellets of ...

  2. Electronic States of LaCoO3: Co K-edge and La L-edge X-ray Absorption Studies

    Energy Technology Data Exchange (ETDEWEB)

    Pandey,S.; Kumar, A.; Khalid, S.; Pimpale, A.

    2006-01-01

    Room-temperature Co K-edge and La L-edge x-ray absorption studies have been carried out on LaCoO{sub 3}. Experimental near-edge structures have been analyzed by theoretical LDA+U density of states (DOS) and multiple scattering (MS) calculations. Use of both MS and DOS calculations yields additional information about hybridization of the states of the central atom with neighboring atoms responsible for producing the near-edge structures. Absorption processes at the Co K-edge, and the La L1-, L2-, and L3-edges have been attributed to electronic transitions from Co1s {yields} Co4p, La2s {yields} La6p, La 2{sub 1/2}{yields} La 5d, and La 2p{sub 3/2} {yields} La5d, respectively. All the pre-edge and post-edge features including the shape of the main absorption edge have been generated by taking the convolution of the calculated DOS, indicating that single particle approximation is sufficient to express all experimentally observed major structures. Two pre-edge structures observed in the Co K-edge spectrum are attributed to Co1s {yields} e{sub g}{sup {up_arrow}} and e{sub g}{sup {down_arrow}} quadrupole transitions in contrast to earlier identification of the same to Co1s {yields} t{sub 2g} and e{sub g} transitions. The influence of La 6p states on the Co 4p states is such that the inclusion of La atoms in the MS calculations is necessary to generate post-edge structures in the Co K-edge spectrum. The importance of the hybridization of the O 2p state with La 6p and 5d in the L-edge absorption processes is also discussed. A 10% contribution of the quadrupole channel has been estimated in the La L-edges.

  3. A study of the Nb sub 3 Ge system by Ge K-edge extended x-ray absorption fine structure and x-ray absorption near-edge structure spectroscopy

    CERN Document Server

    Saini, N L; Wu Zi Yu; Oyanagi, H; Ihara, H; Iyo, A; Agrestini, S; Bianconi, A

    2002-01-01

    The local structure of Nb sub 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 approx 2.87 A, there exists a second Ge-Nb distance, shorter than the first by approx 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.

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

    Science.gov (United States)

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

    2008-12-01

    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.

  5. 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

  6. [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.

  7. Anisotropy of chemical bonds in collagen molecules studied by X-ray absorption near-edge structure (XANES) spectroscopy.

    Science.gov (United States)

    Lam, Raymond S K; Metzler, Rebecca A; Gilbert, Pupa U P A; Beniash, Elia

    2012-03-16

    Collagen type I fibrils are the major building blocks of connective tissues. Collagen fibrils are anisotropic supramolecular structures, and their orientation can be revealed by polarized light microscopy and vibrational microspectroscopy. We hypothesized that the anisotropy of chemical bonds in the collagen molecules, and hence their orientation, might also be detected by X-ray photoemission electron spectromicroscopy (X-PEEM) and X-ray absorption near-edge structure (XANES) spectroscopy, which use linearly polarized synchrotron light. To test this hypothesis, we analyzed sections of rat-tail tendon, composed of parallel arrays of collagen fibrils. The results clearly indicate that XANES-PEEM is sensitive to collagen fibril orientation and, more specifically, to the orientations of carbonyl and amide bonds in collagen molecules. These data suggest that XANES-PEEM is a promising technique for characterizing the chemical composition and structural organization at the nanoscale of collagen-based connective tissues, including tendons, cartilage, and bone.

  8. Size and refinement edge-shape effects of graphene quantum dots on UV–visible absorption

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ruiqiang; Qi, Shifei; Jia, Jianfeng [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China); Torre, Bryna [Department of Physics, University at Buffalo, The State University of New York, Buffalo, NY 14260 (United States); Zeng, Hao [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Department of Physics, University at Buffalo, The State University of New York, Buffalo, NY 14260 (United States); Wu, Haishun [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China); Xu, Xiaohong, E-mail: xuxiaohong_ly@163.com [School of Chemistry and Materials Science, Shanxi Normal University, Linfen 041004 (China); Key Laboratory of Magnetic Molecules and Magnetic Information Materials, Ministry of Education, Linfen 041004 (China)

    2015-02-25

    Highlights: • The size effect affects both the visible light absorption and the zigzag edge state. • Zigzag edge state is important than armchair edge state for visible light absorption. • The Seam atoms should be noted for the randomly shaped GQDs. - Abstract: Using the ab initio density-functional theory method, we calculated the size effect and edge shape effect on UV–visible light absorption of different shapes of graphene quantum dots (GQDs). There are two interesting findings in this study. First, the edge shape effect increase with increasing the size of square GQDs. Second, the Seam atoms, located at the boundary between zigzag and armchair edges, hardly contribute to the strongest visible light absorption. This refinement of the edge-shape effect can be found in rectangular, triangular and hexagonal GQDs. This new finding will be useful in applications of GQDs in the visible light absorption nanodevices.

  9. Near Edge X-ray Absorption Fine Structure Studies of Cu Ion-Containing PAMAMOS Dendrimer Networks

    Science.gov (United States)

    Bubeck, Robert; Dvornic, Petar; Fischer, Daniel

    2012-02-01

    There is continuing interest in the development of nanocomposites containing metal ions based on the use of dendrimers as the host matrix. One may utilize functionalized dendrimer interiors to complex the added constituent and serve as a template for the organization of the resulting nanoscale structures. Potential applications of include: catalysts, biotechnology, functional membranes, molecular sensors, etc. We report on recent results obtained using near edge X-ray absorption fine structure (NEXAFS) to characterize Cu(2+) covalent interactions in three-dimensionally cross linked dendrimer networks. These networks were made from radially-layered poly(amidoamine-organosilicon), PAMAMOS, dendrimers having generation 4 (G4) polyamidoamine (PAMAM) interiors surrounded by one layer of organosilicon, OS, exterior branch cells. Lower generation homologues (i.e., G1 through G3) were also examined on a more limited basis. The nitrogen and carbonyl moieties contained in the PAMAM dendrimer interior were shown to be highly interactive with metallic cations, in large measure because of the dendrimer geometry. Similar measurements on chemically similar but much less physically constraining hyperbranched polymers indicated very limited interaction with the amine and carbonyl moieties.

  10. Dynamic study of sub-micro sized LiFePO4 cathodes by in-situ tender X-ray absorption near edge structure

    Science.gov (United States)

    Wang, Dongniu; Wang, Huixin; Yang, Jinli; Zhou, Jigang; Hu, Yongfeng; Xiao, Qunfeng; Fang, Haitao; Sham, Tsun-Kong

    2016-01-01

    Olivine-type phosphates (LiMPO4, M = Fe, Mn, Co) are promising cathode materials for lithium-ion batteries that are generally accepted to follow first order equilibrium phase transformations. Herein, the phase transformation dynamics of sub-micro sized LiFePO4 particles with limited rate capability at a low current density of 0.14 C was investigated. An in-situ X-ray Absorption Near Edge Structure (XANES) measurement was conducted at the Fe and P K-edge for the dynamic studies upon lithiation and delithiation. Fe K-edge XANES spectra demonstrate that not only lithium-rich intermediate phase LixFePO4 (x = 0.6-0.75), but also lithium-poor intermediate phase LiyFePO4 (y = 0.1-0.25) exist during the charge and discharge, respectively. Furthermore, during charge and discharge, a fluctuation of the FePO4 and LiFePO4 fractions obtained by liner combination fitting around the imaginary phase fractions followed Faraday's law and the equilibrium first-order two-phase transformation versus reaction time is present, respectively. The charging and discharging process has a reversible phase transformation dynamics with symmetric structural evolution routes. P K-edge XANES spectra reveal an enrichment of PF6-1 anions at the surface of the electrode during charging.

  11. Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

    Science.gov (United States)

    Asmuruf, Frans A.; Besley, Nicholas A.

    2009-01-01

    The near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene adsorbed on C(1 0 0)-2 × 1, Si(1 0 0)-2 × 1 and Ge(1 0 0)-2 × 1 surfaces is studied with density functional theory calculations. Time dependent density functional theory calculations of the near edge X-ray absorption fine structure with a modified exchange-correlation functional agree well with experiment, and show that the spectral features arise from excitation to π∗, σCsbnd H∗ and σXsbnd C∗ orbitals, where X represents C, Si or Ge. The σXsbnd C∗ excitation energies are dependent on the surface, and for acetylene, the location of the π∗ band also varies with the surface. Calculations of the vibrational modes show the Csbnd H stretching frequencies for carbon atoms bonded directly to the surface vary significantly between the three surfaces, while those for carbon atoms not bonded to the surface do not change significantly.

  12. Novel visualization studies of lignocellulosic oxidation chemistry by application of C-near edge X-ray absorption fine structure spectroscopy

    Science.gov (United States)

    Douglas G. Mancosky; Lucian A. Lucia; Hiroki Nanko; Sue Wirick; Alan W. Rudie; Robert Braun

    2005-01-01

    The research presented herein is the first attempt to probe the chemical nature of lignocellulosic samples by the application of carbon near edge X-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft X-ray technique that principally provides selective interrogation of discrete atomic moieties using photoelectrons of variable energies. The X1A beam...

  13. Edge-dependent optical absorption of silicene nanoribbons in an in-plane magnetic field

    Science.gov (United States)

    Zou, Jianfei; Ji, Yang

    2017-06-01

    We theoretically study the low energy electronic structures and optical conductivities of silicene nanoribbons (SiNRs) with zigzag and armchair edges in the presence of an in-plane magnetic field. It is found that the absorption spectrum exhibits a rich structure and remarkably depends on the edge types and the width of the SiNRs. In particular, the helical edge states for the zigzag SiNRs is gapped by the magnetic field, whereas those for the wide armchair SiNRs remain gapless, which could be demonstrated by the optical absorption measurement in experiments.

  14. 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|info:eu-repo/dai/nl/08747610X; 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

  15. Low temperature absorption edge and photoluminescence study in TlIn(Se1-xSx)2 layered mixed crystals

    Science.gov (United States)

    Gasanly, N. M.

    2018-02-01

    Transmission on TlIn(Se1-xSx)2 mixed crystals (0.25 ≤ x ≤ 1) were carried out in the 400-800 nm wavelength range at T = 10 K. Band gap energies of the studied crystals were obtained using the derivative spectra of transmittance. The compositional dependence of direct band gap energy at T = 10 K revealed that as sulfur composition is increased in the mixed crystals, the direct band gap energy rises from 2.26 eV (x = 0.25) to 2.56 eV (x = 1). Photoluminescence spectra of TlIn(Se1-xSx)2 mixed crystals were studied in the wavelength region of 400-620 nm at T = 10 K. The observed bands were attributed to the transitions of electrons from shallow donor levels to the valence band. The shift of the PL bands to higher energies with elevating sulfur content was revealed. Moreover, the composition ratio of the mixed crystals was obtained from the energy dispersive spectroscopy measurements.

  16. 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.

  17. X-ray absorption near edge theory. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Rehr, J.J.

    1997-05-01

    One of the long term research goals has been to attain a quantitative theory of deep core X-ray spectroscopies. These spectroscopies include X-ray absorption fine structure (XAFS), X-ray absorption near edge structure (XANES), X-ray magnetic circular dichroism (XMCD), diffraction anomalous fine structure (DAFS), photoelectron diffraction (PD), and others. All are used extensively at modern synchrotron radiation facilities. Since they share in common the same excited state electronic structure, these spectroscopies have similar theoretical underpinings: they all can be described in terms of a curved wave multiple scattering (MS) formalism. These spectroscopies are important probes of local atomic structure, especially in non-crystalline materials where conventional diffraction techniques are inapplicable. However, their interpretation usually requires accurate theoretical models or experimental reference standards. With the development of the authors fast XAFS codes FEFF, they have taken a giant step toward these goals. MS codes are generally equivalent or better than experimental standards, and have been recognized as the best of those available. Accomplishments are summarized. They include an improved photoelectron self-energy approximation for near edge calculations, intrinsic and interference effects, improved edge calculations, background fine structure, improved FEFF code, full MS XANES calculations, and calculation of the fine structure in the XMCD of Gd.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-02-20

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

  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. Influence of Uniaxial Stress on the Indirect Absorption Edge in Silicon and Germanium

    DEFF Research Database (Denmark)

    Balslev, I.

    1966-01-01

    The indirect optical absorption edge in silicon and germanium has been studied in the presence of shear strain. The splitting observed in the transmission spectrum is dependent on the direction and magnitude of the applied stress and on the polarization of the light with respect to the stress axis...

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

    CERN Document Server

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

    2003-01-01

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

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

    Indian Academy of Sciences (India)

    ; effective charge. 1. Introduction. It is well known that the X-ray absorption edge of a metal atom changes from its elemental state when it takes part in the formation of a compound. Generally, the absorption edge shifts to higher energy as the ...

  3. 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.

  4. Iron L2,3-Edge X-ray Absorption and X-ray Magnetic Circular Dichroism Studies of Molecular Iron Complexes with Relevance to the FeMoco and FeVco Active Sites of Nitrogenase

    Science.gov (United States)

    2017-01-01

    Herein, a systematic study of a series of molecular iron model complexes has been carried out using Fe L2,3-edge X-ray absorption (XAS) and X-ray magnetic circular dichroism (XMCD) spectroscopies. This series spans iron complexes of increasing complexity, starting from ferric and ferrous tetrachlorides ([FeCl4]−/2–), to ferric and ferrous tetrathiolates ([Fe(SR)4]−/2–), to diferric and mixed-valent iron–sulfur complexes [Fe2S2R4]2–/3–. This test set of compounds is used to evaluate the sensitivity of both Fe L2,3-edge XAS and XMCD spectroscopy to oxidation state and ligation changes. It is demonstrated that the energy shift and intensity of the L2,3-edge XAS spectra depends on both the oxidation state and covalency of the system; however, the quantitative information that can be extracted from these data is limited. On the other hand, analysis of the Fe XMCD shows distinct changes in the intensity at both L3 and L2 edges, depending on the oxidation state of the system. It is also demonstrated that the XMCD intensity is modulated by the covalency of the system. For mononuclear systems, the experimental data are correlated with atomic multiplet calculations in order to provide insights into the experimental observations. Finally, XMCD is applied to the tetranuclear heterometal–iron–sulfur clusters [MFe3S4]3+/2+ (M = Mo, V), which serve as structural analogues of the FeMoco and FeVco active sites of nitrogenase. It is demonstrated that the XMCD data can be utilized to obtain information on the oxidation state distribution in complex clusters that is not readily accessible for the Fe L2,3-edge XAS data alone. The advantages of XMCD relative to standard K-edge and L2,3-edge XAS are highlighted. This study provides an important foundation for future XMCD studies on complex (bio)inorganic systems. PMID:28653855

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

    NARCIS (Netherlands)

    Henderson, Grant S.; De Groot, Frank M F; Moulton, Benjamin J A

    2014-01-01

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

  6. 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.

  7. Assignment of Pre-Edge Features in the Ru K-Edge X-Ray Absorption Spectra of Organometallic Ruthenium Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Getty, K.; Delgado-Jaime, M.U.; Kennepohl, P.

    2009-05-18

    The nature of the lowest energy bound-state transition in the Ru K-edge X-ray absorption spectra for a series of Grubbs-type ruthenium complexes was investigated. The pre-edge feature was unambiguously assigned as resulting from formally electric dipole forbidden Ru 4d {l_arrow} 1s transitions. The intensities of these transitions are extremely sensitive to the ligand environment and the symmetry of the metal centre. In centrosymmetric complexes the pre-edge is very weak since it is limited by the weak electric quadrupole intensity mechanism. By contrast, upon breaking centrosymmetry, Ru 5p-4d mixing allows for introduction of electric dipole allowed character resulting in a dramatic increase in the pre-edge intensity. The information content of this approach is explored as it relates to complexes of importance in olefin metathesis and its relevance as a tool for the study of reactive intermediates.

  8. [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.

  9. 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

  10. 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.

  11. 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.

  12. Structural Characterization of Bimetallic Nanomaterials with Overlapping X-ray Absorption Edges

    Energy Technology Data Exchange (ETDEWEB)

    Menard, L.; Wang, Q; Kang, J; Sealey, A; Girolami, G; Teng, X; Frenkel, A; Nuzzo, R

    2009-01-01

    We describe a data analysis method for extended x-ray absorption fine structure spectroscopy suitable for use with compounds of diverse form that contain overlapping absorption edges. This method employs direct concurrent analysis of the data-demonstrated here for cases involving two interfering metal edges-and does not utilize subtractive or data filtering strategies that have been previously used to address this challenge. Its generality and precision are demonstrated in analyses made on two model nanoscale samples: (1) a Ir-Pt nanoparticle system supported on ?-Al2O3 and (2) a hybrid system of Pt nanowires on which Au nanoparticles have been nucleated and grown at the nanowire tips, stacking faults, and twinning boundaries. The results obtained demonstrate the unique compositional and structural qualities of these two systems as well as the broader utility of the new x-ray absorption spectroscopy based protocol used to characterize them.

  13. Light harvesting in photonic crystals revisited: why do slow photons at the blue edge enhance absorption?

    Science.gov (United States)

    Deparis, O; Mouchet, S R; Su, B-L

    2015-11-11

    Light harvesting enhancement by slow photons in photonic crystal catalysts or dye-sensitized solar cells is a promising approach for increasing the efficiency of photoreactions. This structural effect is exploited in inverse opal TiO2 photocatalysts by tuning the red edge of the photonic band gap to the TiO2 electronic excitation band edge. In spite of many experimental demonstrations, the slow photon effect is not fully understood yet. In particular, observed enhancement by tuning the blue edge has remained unexplained. Based on rigorous couple wave analysis simulations, we quantify light harvesting enhancement in terms of absorption increase at a specific wavelength (monochromatic UV illumination) or photocurrent increase (solar light illumination), with respect to homogeneous flat slab of equivalent material thickness. We show that the commonly accepted explanation relying on light intensity confinement in high (low) dielectric constant regions at the red (blue) edge is challenged in the case of TiO2 inverse opals because of the sub-wavelength size of the material skeleton. The reason why slow photons at the blue edge are also able to enhance light harvesting is the loose confinement of the field, which leads to significant resonantly enhanced field intensity overlap with the skeleton in both red and blue edge tuning cases, yet with different intensity patterns.

  14. 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.

  15. Arsenic K-edge X-ray absorption spectroscopy of arsenic in seafood.

    Science.gov (United States)

    George, Graham N; Prince, Roger C; Singh, Satya P; Pickering, Ingrid J

    2009-05-01

    It is well known that seafood contains high levels of arsenic. For marine animals arsenic is predominantly present as arsenobetaine and related compounds which are not metabolized and are thought to present no toxic hazard to humans. With edible seaweeds, arsenic is present in different forms, of which arsenosugars are the best known. These species may be metabolized by mammals, and the high arsenic contents of these materials represent a significant environmental source for human exposure to arsenicals in some populations. In this work, we explore the utility of As K-edge X-ray absorption near-edge spectroscopy as an in situ probe of the chemical forms of arsenic in seaweeds. We find that three different chemical types of arsenic are present, consistent with arsenate, an arsenosugar or tetra-alkyl-arsonium species, and a trivalent arsenic species.

  16. Influence of hybridization in the magnetic circular X-ray dichroism at the Ce-M(4,5) absorption edges of Ce-Fe systems

    NARCIS (Netherlands)

    Finazzi, M; deGroot, FMF; Dias, AM; Kappler, JP; Schulte, O; Felsch, W; Krill, G

    We have performed a Magnetic Circular X-ray Dichroism (XMCD) study at the Ce-M(4,5) absorption edges on some Ce-Fe systems. We find that the dichroism signal in these systems is very sensitive to the degree of hybridization of the 4f electrons with the valence band. XMCD is able to demonstrate that

  17. Influence of hybridization in the Magnetic Circular X-ray Dichroism at the Ce-M4,5 absorption edges of Ce-Fe systems

    NARCIS (Netherlands)

    Finazzi, M.; de Groot, F.M.F.; Dias, A.-M.; Kappler, J.-P.; Schulte, O.; Felsch, W.; Krill, G.

    2013-01-01

    We have performed a Magnetic Circular X-ray Dichroism (XMCD) study at the Ce-M*,s absorption edges on some Ce-Fe systems. We find that the dichroism signal in these systems is very sensitive to the degree of hybridization of the 4f electrons with the valence band. XMCD is able to demonstrate that

  18. 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......-Stokes equations. It provides us possibilities to study details about noise generation mechanism. The formulation of the semi-empirical model is based on acoustic analogy and then curve-fitted with experimental data. Due to its high efficiency, such empirical relation is used for purpose of low noise airfoil...... 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....

  19. 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.

  20. 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.

  1. Theoretical and experimental study of high-magnetic-field XMCD spectra at the L{sub 2,3} absorption edges of mixed-valence rare-earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kotani, Akio [Photon Factory, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Matsuda, Yasuhiro H [Institute for Solid State Physics, University of Tokyo, Chiba 277-8581 (Japan); Nojiri, Hiroyuki, E-mail: kotani@post.kek.j [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

    2009-11-15

    X-ray magnetic circular dichroism(XMCD) spectra at the L{sub 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{sub 2}(Si{sub 0.18}Ge{sub 0.82}){sub 2} and YbInCu{sub 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{sub 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.

  2. 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

    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...

  3. 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.

  4. Iron near absorption edge X-ray spectroscopy at aqueous-membrane interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenjie; Kuzmenko, Ivan; Vaknin, David

    2014-01-01

    Employing synchrotron X-ray scattering, we systematically determine the absorption near-edge spectra (XANES) of iron in its ferrous (Fe2+) and ferric (Fe3+) states both as ions in aqueous solutions and as they bind to form a single layer to anionic templates that consist of carboxyl or phosphate groups at aqueous/vapor interfaces. While the XANES of bulk iron ions show that the electronic state and coordination of iron complexes in the bulk are isotropic, the interfacial bound ions show a signature of a broken inversion-symmetry environment. The XANES of Fe2+ and Fe3+ in the bulk possess distinct profiles however, upon binding they practically exhibit similar patterns. This indicates that both bound ions settle into a stable electronic and coordination configuration with an effective fractional valence (for example, Fe[2+nu]+, 0 < nu < 1) at charged organic templates. Such two dimensional properties may render interfacial iron, abundant in living organisms, a more efficient and versatile catalytic behavior.

  5. Iron near absorption edge X-ray spectroscopy at aqueous-membrane interfaces.

    Science.gov (United States)

    Wang, Wenjie; Kuzmenko, Ivan; Vaknin, David

    2014-07-14

    Employing synchrotron X-ray scattering, we systematically determine the absorption near-edge spectra (XANES) of iron in its ferrous (Fe(2+)) and ferric (Fe(3+)) states both as ions in aqueous solutions and as they bind to form a single layer to anionic templates that consist of carboxyl or phosphate groups at aqueous/vapor interfaces. While the XANES of bulk iron ions show that the electronic state and coordination of iron complexes in the bulk are isotropic, the interfacial bound ions show a signature of a broken inversion-symmetry environment. The XANES of Fe(2+) and Fe(3+) in the bulk possess distinct profiles however, upon binding they practically exhibit similar patterns. This indicates that both bound ions settle into a stable electronic and coordination configuration with an effective fractional valence (for example, Fe([2+ν]+), 0 < ν < 1) at charged organic templates. Such two dimensional properties may render interfacial iron, abundant in living organisms, a more efficient and versatile catalytic behavior.

  6. 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.)

  7. Li K-edge X-ray absorption near edge structure spectra for a library of lithium compounds applied in lithium batteries

    Science.gov (United States)

    Wang, Dongniu; Zuin, Lucia

    2017-01-01

    Lithium ion batteries (LIB) have achieved great success as energy supply systems in portable devices and in electrical vehicles. Identifying the local chemical structures of elemental lithium in lithium compounds is beneficial for improving understanding of battery components and performance. Herein, a library of Li K-edge X-ray absorption near edge structure (XANES) of lithium compounds relevant to Li-ion batteries is reported. Materials described include lithium metals (anode), Li-containing cathodes, electrolytes and solid electrolyte interphase (SEI). The results illustrate the characteristic spectral features stemming from the various electronic structures and chemical environment of lithium atoms for each and every possible battery component. XANES spectra of Sn based anode after discharging reveal the appearance of Li2CO3 on electrode surface. X-ray damage on sensitive lithium species is also assessed; the results reveal that more attention should be paid to irradiation effects to conduct XANES measurements for battery materials properly.

  8. Near-edge x-ray-absorption fine-structure spectroscopy investigation of poly(ethylene oxide)-KI complexes

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.Q.; Chen, J.M.; Skotheim, T.A. (Department of Applied Science, Brookhaven National Laboratory, Upton, New York 11973-6000 (US)); Okamoto, Y. (Polytechnic University, 333 Jay Street, Brooklyn, New York 11201); Kirkland, J. (Sachs/Freeman Associates, Inc., 1401 McCormick Drive, Landover, Maryland 20785-5396); denBoer, M.L. (Department of Physics and Astronomy, Hunter College of the City University of New York, 695 Park Avenue, New York, New York 10021)

    1989-10-15

    We have measured the near-edge x-ray-absorption fine-structure spectra of the {ital K} edge of potassium in the polymer-salt complex poly(ethylene oxide)-KI. Changes are observed as a function of temperature due to modifications of the K-ion coordination. Comparison with model systems suggests that the lower activation energy of this ionic conducting polymer complex at elevated temperature ({ital T}{gt}70 {degree}C) is partially due to reduced oxygen complexation of the K ions.

  9. X-ray absorption spectroscopy by full-field X-ray microscopy of a thin graphite flake: Imaging and electronic structure via the carbon K-edge

    Directory of Open Access Journals (Sweden)

    Carla Bittencourt

    2012-04-01

    Full Text Available We demonstrate that near-edge X-ray-absorption fine-structure spectra combined with full-field transmission X-ray microscopy can be used to study the electronic structure of graphite flakes consisting of a few graphene layers. The flake was produced by exfoliation using sodium cholate and then isolated by means of density-gradient ultracentrifugation. An image sequence around the carbon K-edge, analyzed by using reference spectra for the in-plane and out-of-plane regions of the sample, is used to map and spectrally characterize the flat and folded regions of the flake. Additional spectral features in both π and σ regions are observed, which may be related to the presence of topological defects. Doping by metal impurities that were present in the original exfoliated graphite is indicated by the presence of a pre-edge signal at 284.2 eV.

  10. Biomechanical study on the edge shapes for penetrating keratoplasty.

    Science.gov (United States)

    Lee, Heow Pueh; Zhuang, Han

    2012-01-01

    A parametric study to investigate the compressive and the shear stress distributions for various edge shapes created during penetrating keratoplasty (PK) using femtosecond laser is reported. The finite element analysis has been implemented using ABAQUS to study the cornea with various edge shapes, namely the standard edge shape, the zigzag edge shape, the top hat edge shape and the mushroom edge shape for PK. The ratio of maximum compressive stress to maximum shear stress is used as the main factor to assess the relative merits of wound healing rate for different edge shapes. For the typical values of tissue mechanical properties, the zigzag edge shape has the highest ratio of maximum compressive stress to maximum shear stress (11.1 in the xy-direction and 3.7 in the yz-direction), followed by the mushroom edge shape (7.7 in the xy-direction and 3.2 in the yz-direction). The ratios for the top hat and the standard edge shapes are even lower in both directions. A sensitivity analysis of the model has been done to demonstrate that the zigzag edge shape always results in the highest ratios of stresses regardless of the difference in the tissue mechanical properties. The zigzag edge shape also gives the lowest dioptric power D = 45.4. The present results imply that the zigzag edge shape provides the best wound healing rate and optical outcome among the four edge shapes models for PK.

  11. First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge.

    Science.gov (United States)

    Cabaret, Delphine; Bordage, Amélie; Juhin, Amélie; Arfaoui, Mounir; Gaudry, Emilie

    2010-06-07

    We first present an extended introduction of the various methods used to extract electronic and structural information from the K pre-edge X-ray absorption spectra of 3d transition metal ions. The K pre-edge structure is then modelled for a selection of 3d transition metal compounds and analyzed using first-principles calculations based on the density functional theory (DFT) in the local density approximation (LDA). The selected compounds under study are presented in an ascending order of electronic structure complexity, starting with the Ti K-edge of rutile and anatase, and finishing with the Fe K-edge of the cyanomet-myoglobin. In most cases, the calculations are compared to polarized experimental spectra. It is shown that DFT-LDA methods enable us to reproduce satisfactorily the experimental features and to understand the nature of the electronic transitions involved in the pre-edge region. The limiting aspects of such methods in modelling the core-hole electron interaction and the 3d electron-electron repulsion are also pointed out.

  12. Pre-edge features in X-ray absorption structure of Mn in GaMnN, GaMnAs and GeMn

    Energy Technology Data Exchange (ETDEWEB)

    Titov, A. [A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, Vavilov str. 38, 119991 Moscow (Russian Federation) and ' Nanophysique et Semiconducteurs' , CEA-CNRS-Universite Joseph Fourier Grenoble, Laboratoire de Spectrometrie Physique, BP 87, 38402 St Martin d' Heres cedex (France)]. E-mail: titov@nsc.gpi.ru; Kulatov, E. [A.M. Prokhorov General Physics Institute, Russian Academy of Sciences, Vavilov str. 38, 119991 Moscow (Russian Federation); Uspenskii, Yu.A. [Lebedev Physical Institute, Russian Academy of Sciences, Leninskii prosp. 53, 119991 Moscow (Russian Federation); Biquard, X. [DRFMC-SP2M, CEA Grenoble-38054 Grenoble cedex 9 (France); Halley, D. [' Nanophysique et Semiconducteurs' , CEA-CNRS-Universite Joseph Fourier Grenoble, Laboratoire de Spectrometrie Physique, BP 87, 38402 St Martin d' Heres cedex (France); Kuroda, S. [' Nanophysique et Semiconducteurs' , CEA-CNRS-Universite Joseph Fourier Grenoble, Laboratoire de Spectrometrie Physique, BP 87, 38402 St Martin d' Heres cedex (France); Bellet-Amalric, E. [' Nanophysique et Semiconducteurs' , CEA-CNRS-Universite Joseph Fourier Grenoble, Laboratoire de Spectrometrie Physique, BP 87, 38402 St Martin d' Heres cedex (France); DRFMC-SP2M, CEA Grenoble-38054 Grenoble cedex 9 (France); Mariette, H. [' Nanophysique et Semiconducteurs' , CEA-CNRS-Universite Joseph Fourier Grenoble, Laboratoire de Spectrometrie Physique, BP 87, 38402 St Martin d' Heres cedex (France); Cibert, J. [Laboratoire Louis Neel, CNRS, BP 166, 38042 Grenoble cedex 9 (France)

    2006-05-15

    Ga{sub 1-x}Mn{sub x}N samples with a wide range of concentrations, from x=0.003 to 0.057, were grown by molecular beam epitaxy. X-ray diffraction and the simulation of the extended X-ray absorption fine structure (EXAFS) confirmed the wurtzite structure of the samples, without any secondary phase, and the location of Mn in the gallium sublattice of GaN. The valence state of Mn was studied using the X-ray absorption near-edge structure (XANES) at the K-edge of Mn. The shape of the measured XANES spectra does not depend on the Mn concentration: that implies the same valence state and local atomic structure around the Mn atom in all samples. A calculation of the electronic band structure of GaMnN, GaMnAs, GeMn and the XANES spectra of Mn in GaMnN was performed using the linearized augmented plane wave (LAPW) method. The calculated spectra fit well our experimental data. In particular, the comparison demonstrates that a peak in the pre-edge structure is directly related to the 3+ valence state of Mn. This was confirmed experimentally by measurements of the Mn K-edge in GaMn{sup 2+}As and ZnMn{sup 2+}Te. An application of proposed interpretation for GeMn is discussed.

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

    Science.gov (United States)

    Wolf, T J A; Myhre, R H; Cryan, J P; Coriani, S; Squibb, R J; Battistoni, A; Berrah, N; Bostedt, C; Bucksbaum, P; Coslovich, G; Feifel, R; Gaffney, K J; Grilj, J; Martinez, T J; Miyabe, S; Moeller, S P; Mucke, M; Natan, A; Obaid, R; Osipov, T; Plekan, O; Wang, S; Koch, H; Gühr, M

    2017-06-22

    Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation channel from an optically allowed ππ* to a dark nπ* state. The ππ*/nπ* internal conversion is difficult to investigate, as most spectroscopic methods are not exclusively sensitive to changes in the excited-state electronic structure. Here, we report achieving the required sensitivity by exploiting the element and site specificity of near-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*/nπ* internal conversion takes place within (60 ± 30) fs. High-level-coupled cluster calculations confirm the method's impressive electronic structure sensitivity for excited-state investigations.Many photo-induced processes such as photosynthesis occur in organic molecules, but their femtosecond excited-state dynamics are difficult to track. Here, the authors exploit the element and site selectivity of soft X-ray absorption to sensitively follow the ultrafast ππ*/nπ* electronic relaxation of hetero-organic molecules.

  14. 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.

  15. Radiative ablation with two ionizing-fronts when opacity displays a sharp absorption edge

    CERN Document Server

    Poujade, Olivier; Vandenboomgaerde, Marc

    2014-01-01

    The interaction of a strong flux of photons with matter through an ionizing-front (I-front) is an ubiquitous phenomenon in the context of astrophysics and inertial confinement fusion (ICF) where intense sources of radiation put matter into motion. When the opacity of the irradiated material varies continuously in the radiation spectral domain, only one single I-front is formed. In contrast, as numerical simulations tend to show, when the opacity of the irradiated material presents a sharp edge in the radiation spectral domain, a second I-front (an edge-front) can form. A full description of the mechanism behind the formation of this edge-front is presented in this article. It allows to understand supernumerary shocks (edge-shocks), displayed by ICF simulations, that might affect the robustness of the design of fusion capsules in actual experiments. Moreover, it may have consequences in various domains of astrophysics where ablative flows occur.

  16. Radiative ablation with two ionizing fronts when opacity displays a sharp absorption edge.

    Science.gov (United States)

    Poujade, Olivier; Bonnefille, Max; Vandenboomgaerde, Marc

    2015-11-01

    The interaction of a strong flux of photons with matter through an ionizing front (I-front) is an ubiquitous phenomenon in the context of astrophysics and inertial confinement fusion (ICF) where intense sources of radiation put matter into motion. When the opacity of the irradiated material varies continuously in the radiation spectral domain, only one single I-front is formed. In contrast, as numerical simulations tend to show, when the opacity of the irradiated material presents a sharp edge in the radiation spectral domain, a second I-front (an edge front) can form. A full description of the mechanism behind the formation of this edge front is presented in this article. It allows us to understand extra shocks (edge-shocks), displayed by ICF simulations, that might affect the robustness of the design of fusion capsules in actual experiments. Moreover, it may have consequences in various domains of astrophysics where ablative flows occur.

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

    Indian Academy of Sciences (India)

    Measurements have been carried out at the energy dispersive EXAFS beamline at INDUS-2 Synchrotron Radiation Source at Raja Ramanna Centre for Advanced Technology, Indore. Energy shifts of ∼8–16 eV were observed for Mn K edge in the Mn-compounds while a shift of 13–20 eV was observed for Cr K edge in ...

  18. 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.

  19. Absorption-Line Studies of Seyfert Galaxies

    Science.gov (United States)

    Shull, J. Michael

    We propose to undertake a "reverberation analysis" of the variable absorption lines ill two Seyfert Galaxies (NGC 4051 and Mrk 279) to help understand the origin of intrinsic absorption lines in AGNs. Stich an analysis is a powerful tool for elucidating the radial distribution of absorbing gas in the broad-line region (BLR) and narrow-line region (NLR). Only two Seyferts have previously been studied with this technique: NGC 4151 (Bromage el al. 1985; Clavel et al. 1987) and NGC 3516 (Voit, Shull, and Begelman 1987). The absorption features have been interpreted as an outflow of ionized clouds from the nuclear region or from an accretion disk affected by UV/X-ray heating. Neither the source of the absorbing gas in these Seyferts nor the "gene" which distingishes them from other Seyferts is known. Until the 1984 onset of absorption in Mrk 279, broad self-absorbed. lines had been observed only in Seyferts of low intrinsic luminosity, such as NGC 4051. Mrk 279 is intrinsically much brighter, and therefore more quasar-like, than the other three absorptionline Seyfert I's in the CfA sample. Thus, it may show how the absorption phenomenon changes at higher luminosity and could bridge the gap between the low luminosity absorption-line Seyferts and the well-studied broad absorption-line (BAL) QSO's. In addition, Mrk 279's significant redshift will allow us to study, for the first time, the Ly-alpha line in an absorption-line Seyfert. With 3 US-1 shifts for each of these two underobserved Seyferts, we can double the number of objects in which absorption-line variability has been studied and investigate why the absorption-line strengths correlate or anti-correlate with the UV continuum.

  20. The iron L edges : Fe 2p X-ray absorption and electron energy loss spectroscopy

    NARCIS (Netherlands)

    Miedema, Piter S.; de Groot, Frank M. F.

    The iron L edges are reviewed. The experimental spectra obtained with 2p XAS, XMCD and 2p EELS are discussed, including isolated iron atoms, solids and coordination compounds. The largest fraction of publications deal with iron oxide systems that are discussed in detail, including binary oxides,

  1. Effect of the synthesis and annealing atmosphere composition on the fundamental absorption edge of ZnGA2O4 thin films

    Science.gov (United States)

    Bordun, O. M.; Kukharskyy, I. Yo.; Bihday, V. G.

    2013-01-01

    We have used optical spectroscopy to study the region of the fundamental absorption edge of ZnGa2O4 thin films obtained by high-frequency RF ion plasma sputtering. We have established that the optical bandgap width E g increases from 4.55 eV to 4.81 eV when up to 20% oxygen is added to the sputtering argon atmosphere. An even greater increase in E g is observed when the films obtained are annealed in a hydrogen reducing atmosphere. We discuss the correlation between the value of E g and the composition of the sputtering and annealing atmosphere.

  2. Determination of the chiral structure of CsCuCl{sub 3} using anomalous x-ray scattering near the Cs K absorption edge

    Energy Technology Data Exchange (ETDEWEB)

    Koiso, T.; Yamamoto, K.; Hata, Y.; Takahashi, Y.; Kita, E.; Ohshima, K. [Institute of Applied Physics, University of Tsukuba, Tsukuba (Japan); Okamura, F.P. [National Institute for Research in Inorganic Materials, Tsukuba (Japan)

    1996-09-16

    A structural study of CsCuCl{sub 3}, grown from aqueous solution, was performed using anomalous x-ray scattering near the Cs K absorption edge to determine an absolute configuration of constituent atoms. The sense of the helical structure of the CuCl{sub 3} chain was found to be predominantly right-handed through a comparison of observed Bragg Bijvoet ratios with calculated ones. Assuming that CsCuCl{sub 3} consists of the two domains (i.e. right- and left-handed helices), we estimate that the volume fraction for the right-handed helix is 0.87{+-}0.02. (author)

  3. X-ray-absorption studies of organodisulfide redox polymeric electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.Q.; Xue, K.H.; Lee, H.S.; McBreen, J. (Brookhaven National Laboratory, Upton, New York 11973 (United States)); Skotheim, T.A. (Moltech Corporation, Stony Brook, New York 11794-2275 (United States)); Lu, F. (CFFLS, University of Kentucky, Lexington, Kentucky 40506 (United States))

    1992-03-01

    We have measured the near-edge x-ray-absorption fine-structure (NEXAFS) spectra of the {ital K} edge of sulfur in organodisulfide redox polymeric electrodes in both charged and discharged states. The formation and scission of S-S bonding during the charge-discharge cycle were observed through NEXAFS spectroscopy.

  4. 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.

  5. Coherent Light Photo-modification, Mass Transport Effect, and Surface Relief Formation in AsxS100-x Nanolayers: Absorption Edge, XPS, and Raman Spectroscopy Combined with Profilometry Study

    Science.gov (United States)

    Kondrat, O.; Holomb, R.; Csik, A.; Takáts, V.; Veres, M.; Mitsa, V.

    2017-02-01

    As x S100- x ( x = 40, 45, 50) thin films top surface nanolayers affected by green (532 nm) diode laser illumination have been studied by high-resolution X-ray photoelectron spectroscopy, Raman spectroscopy, optical spectroscopy, and surface profilometry. It is shown that the composition of obtained films depends not only on the composition of the source material but as well on the composition of the vapor during the evaporation process. Near-bandgap laser light decreases both As-As and S-S homopolar bonds in films, obtained from thermal evaporation of the As40S60 and As50S50 glasses. Although As45S55 composition demonstrates increasing of As-As bonds despite to the partial disappearance of S-S bonds, for explanation of this phenomenon Raman investigations has also been performed. It is shown that As4S3 structural units (s.u.) responsible for the observed effect. Laser light induced surface topology of the As45S55 film has been recorded by 2D profilometer.

  6. 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...

  7. Optical absorption and fluorescence studies on imidazolium ionic ...

    Indian Academy of Sciences (India)

    Imidazolium ionic liquids; UV-Vis absorption; excitation wavelength-dependent fluorescence; red-edge effect; solvent effect. ... gives rise to the long absorption tail and shifting fluorescence maximum, which appears to be common to most of the imidazolium ionic liquids, is evident from the effect of the conventional solvents.

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

    Indian Academy of Sciences (India)

    K K Abdullah1 N Ramachandran2 K Karunakaran Nair2 B R S Babu3 Antony Josephm3 Rajive Thomas3 K M Varier3. Department of Physics, Farook College, Calicut 673 632, India; Kingstree Sr. High, 616 Martin Luther King Avenue, Kingstree, South Carolina, USA; Department of Physics, University of Calicut, Calicut 673 ...

  9. Abdullah KK Attenuation studies near K-absorption edges using ...

    Indian Academy of Sciences (India)

    lar lattice – spin dynamics in HoMnO3. 163. Ghosh Subrata ... cle map lattice. 1055. Jadhav K M see Alone S T. 173. Jafarizadeh M A. Generalized N-coupled maps with invari- ant measure in Bose–Mesner algebra per- spective. 417 see Fasihi M A. 575 ... Effect of field quantization on Rabi os- cillation of equidistant ...

  10. Design of an Optical Absorption Cavity for Titanium Transition Edge Sensors

    Science.gov (United States)

    Damayanthi, R. M. T.; Fukuda, D.; Takahashi, H.; Ohkubo, M.; Ohno, M.

    2008-04-01

    We have developed a TES optical photon detector with a titanium superconducting film showing a very fast response with rise time and fall times of 30 ns and 313 ns, respectively. The fast response is promising for many quantum measurement applications. Increasing the quantum efficiency of this device from the current value of ˜20% makes the detector even more suitable for these applications. Here we report on simulation and experimental results of a cavity designed to improve optical photon absorption of titanium.

  11. 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.|info:eu-repo/dai/nl/325802068; de Groot, Frank M. F.|info:eu-repo/dai/nl/08747610X; Weckhuysen, Bert M.|info:eu-repo/dai/nl/285484397

    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

  12. Poly(ethylene oxide) complexed with KI: An x-ray absorption study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.Q.; Chen, J.; Skotheim, T.A.; Okamoto, Y.; denBoer, M.L. (Brookhaven National Lab., Upton, NY (USA); Polytechnic Univ., Brooklyn, NY (USA); Hunter Coll., New York, NY (USA))

    1989-01-01

    Polymer-salt complexes of poly(ethylene oxide) (PEO) and KI have been studied with the technique of Near Edge X-ray Absorption Fine Structure of the K-edge of potassium. The changes observed in the spectra as a function of temperature are compared with model systems. The results suggests that the oxygen complexation of the potassium ion is reduced at elevated temperatures. 7 refs., 2 figs.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-07-15

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

  14. Interband absorption edge in the topological insulators Bi2(Te1-xSex) 3

    Science.gov (United States)

    Dubroka, A.; Caha, O.; Hronček, M.; Friš, P.; Orlita, M.; Holý, V.; Steiner, H.; Bauer, G.; Springholz, G.; Humlíček, J.

    2017-12-01

    We have investigated the optical properties of thin films of topological insulators Bi2Te3 , Bi2Se3 , and their alloys Bi2(Te1-xSex) 3 on BaF2 substrates by a combination of infrared ellipsometry and reflectivity in the energy range from 0.06 to 6.5 eV. For the onset of interband absorption in Bi2Se3 , after the correction for the Burstein-Moss effect, we find the value of the direct band gap of 215 ±10 meV at 10 K. Our data support the picture that Bi2Se3 has a direct band gap located at the Γ point in the Brillouin zone and that the valence band reaches up to the Dirac point and has the shape of a downward-oriented paraboloid, i.e., without a camel-back structure. In Bi2Te3 , the onset of strong direct interband absorption at 10 K is at a similar energy of about 200 meV, with a weaker additional feature at about 170 meV. Our data support the recent G W band-structure calculations suggesting that the direct interband transition does not occur at the Γ point but near the Z -F line of the Brillouin zone. In the Bi2(Te1-xSex) 3 alloy, the energy of the onset of direct interband transitions exhibits a maximum near x =0.3 (i.e., the composition of Bi2Te2Se ), suggesting that the crossover of the direct interband transitions between the two points in the Brillouin zone occurs close to this composition.

  15. ABRASIVE ABSORPTION STUDY IN AWJ CUTTING

    Directory of Open Access Journals (Sweden)

    Bogdan BARABAŞ

    2016-11-01

    Full Text Available This paper studies the forming process of the hydro abrasive jet and the factors that determine its behaviour after leaving the nozzle until the moment of impact with the piece, in order to obtain an optimized configuration of the processing. The objectives are those of obtaining optimal surfaces in terms of quality, increased productivity and reduced costs. The paper specifies the model of the jet forming through air and abrasive absorption. The obtained results have confirmed the importance of exactly configuring the abrasive quantity in the jet through modifying the size of the abrasive grains and the attraction force required for their absorption.

  16. 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 ...

  17. Photoabsorption study of Bacillus megaterium, DNA and Related Biological Materials in the Phosphorus K-edge Region

    Science.gov (United States)

    Frigo, Sean P.; McNulty,Ian; Richmond, Robert C.; Ehret, Charles F.

    2003-01-01

    We have measured the x-ray transmission spectra of several biologically related samples in the phosphorus K-edge absorption region. These include red phosphorus, hydrated sodium phosphate (Na3PO4 12 H2O), deoxyribonucleic acid (DNA), adenosinetriphosphate (ATP), diolylphosphatidyl choline (DOPC), and Bacillus megaterium spores. Red phosphorus essentially displays an edge-jump. All other spectra are similar in form and energy position, where each is dominated by a narrower, more intense first peak and a broader but less intense second peak. The corresponding K-edge absorption thresholds are shifted towards higher energy relative to that for red phosphorus, as expected for increasing degrees of phosphorus oxidation. The B.meguterium spectrum has aspects common to both the phosphate and DNA spectra and is therefore interpreted as a composite of spectra arising from DNA/RNA and phosphates within the spore. The B. megaterium spore spectrum provides needed information for resonant radiation damage studies in the phosphorus K-edge absorption region by identifying candidate photoexcitations. In addition, the absorption spectra will be useful in macromolecular crystallography studies employing anomalous dispersion effects at the phosphorus K-edge.

  18. Study on Trailing Edge Ramp of Supercritical Airfoil

    Science.gov (United States)

    2016-03-30

    7 th Asia-Pacific International Symposium on Aerospace Technology, 25 – 27 November 2015, Cairns Study on Trailing Edge Ramp of Supercritical...separation bubble near the trailing edge. However, the present CFD result shows that it seems a pressure ramp without separation gains better...11372160). 2 Corresponding author. E-mail: chenhaixin@tsinghua.edu.cn 7 th Asia-Pacific International Symposium on Aerospace Technology, 25 – 27

  19. Pre-edge structure analysis of Ti K-edge polarized X-ray absorption spectra in TiO{sub 2} by full-potential XANES calculations

    Energy Technology Data Exchange (ETDEWEB)

    Cabaret, D. [Univ. Paris VI et VII, Paris Cedex (France); Joly, Y.; Renevier, H. [l`Universite Joseph Fourier, Lab. de Cristallographie, Grenoble Cedex (France); Natoli, C.R. [Lab. Nazionali de Frascati, INFN, Frascati (Italy)

    1999-11-01

    The pre-edge region of Ti K-edge polarized XANES spectra in TiO{sub 2}-rutile is investigated by full-potential calculations based on the finite-difference method. Both dipolar and quadrupolar transitions are considered. The use of `non muffin-tin` potential allows a clear interpretation of the pre-edge features. The results are consistent with Full-potential LAPW band structure calculations, and are also compared with multiple-scattering calculations. (au) 19 refs.

  20. Absorption edge of variable-gap epitaxial layers of InAs(1-x)Sb(x) (x less than or = 0. 54)

    Energy Technology Data Exchange (ETDEWEB)

    Zotova, N.V.; Losev, A.V.; Matveev, B.A.; Stus' , N.M.; Talalakin, G.N. (Fiziko-Tekhnicheskii Institut, Leningrad (USSR))

    1990-02-01

    Results of an experimental study aimed at the preparation and study of narrow-gap solid solutions InAs(1-x)Sb(x) (x less than or = 0.54) are reported. Test specimens were prepared by melt crystallization on (111) InAs substrates under forced cooling starting from 680-720 C. It is found that the growth of InAs/InAsSbP/InAs(1-x)Sb(x) gradient structures by liquid phase epitaxy under conditions of high substrate plasticity makes it possible to produce layers with Eg of 90 meV or greater whose absorption edge has the form typical of variable-gap semiconductors. 8 refs.

  1. X-ray absorption studies of battery materials

    Energy Technology Data Exchange (ETDEWEB)

    McBreen, J.

    1996-10-01

    X-ray absorption spectroscopy (XAS) is ideal for {ital in}{ital situ} studies of battery materials because both the probe and signal are penetrating x rays. The advantage of XAS being element specific permits investigation of the environment of a constituent element in a composite material. This makes it very powerful for studying electrode additives and corrosion of individual components of complex metal hydride alloys. The near edge part of the spectrum (XANES) provides information on oxidation state and site symmetry of the excited atom. This is particularly useful in study of corrosion and oxidation changes in cathode materials during charge/discharge cycle. Extended fine structure (EXAFS) gives structural information. Thus the technique provides both chemical and structural information. Since XAS probes only short range order, it can be applied to study of amorphous electrode materials and electrolytes. This paper discusses advantages and limitations of the method, as well as some experimental aspects.

  2. 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.

  3. The use of C-near edge X-ray absorption fine structure spectroscopy for the elaboration of chemistry in lignocellulosics

    Science.gov (United States)

    Lucian A. Lucia; Hiroki Nanko; Alan W. Rudie; Doug G. Mancosky; Sue Wirick

    2006-01-01

    The research presented elucidates the oxidation chemistry occurring in hydrogen peroxide bleached kraft pulp fibers by employing carbon near edge x-ray absorption fine structure spectroscopy (C-NEXAFS). C-NEXAFS is a soft x-ray technique that selectively interrogates atomic moieties using photoelectrons (Xrays) of variable energies. The X1A beam line at the National...

  4. 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.

  5. Localization of the dopant in Ge:Mn diluted magnetic semiconductors by x-ray absorption at the Mn K edge

    Energy Technology Data Exchange (ETDEWEB)

    Gunnella, R; Morresi, L; Pinto, N; Di Cicco, A [CNISM-Dipartimento di Fisica, Universita di Camerino, Via Madonna delle Carceri, I-62032 Camerino (Italy); Ottaviano, L; Passacantando, M; Verna, A [Dipartimento di Fisica, Universita dell' Aquila, Via Vetoio, I-67010, Coppito (Italy); Impellizzeri, G; Irrera, A [MATIS-INFM and Dipartimento di Fisica e Astronomia, Universita di Catania, I-95123 Catania (Italy); D' Acapito, F [CNR-INFM-OGG, c/o ESRF 6, Rue Jules Horowitz, F-38043 Grenoble (France)

    2010-06-02

    A unitary picture of the structural properties of Mn{sub x}Ge{sub 1-x} diluted alloys fabricated by either ion implantation or molecular beam epitaxy (MBE), at various growth temperatures (from 80 to about 623 K) and few per cent concentrations, is proposed. Analysis is based on synchrotron radiation x-ray absorption spectroscopy at the Mn K edge. When the growth temperature exceeds 330 K, the MBE samples show a high number of precipitated ferromagnetic nanoparticles, mainly Mn{sub 5}Ge{sub 3}, nucleated from the previous occupation of interstitial tetrahedral sites. Efficient substitution is observed in the case of MBE samples made by alternate layers of GeMn alloys grown at T {<=} 433 K and undoped Ge thick layers. Similar good dilution properties are obtained by implanting Mn ions at low temperatures (80 K). Possible precursors to preferential mechanisms in the alloy formation are discussed on the basis of the present comparative study.

  6. Link between K-absorption edges and thermodynamic properties of warm-dense plasmas established by improved first-principles method

    CERN Document Server

    Zhang, Shen; Kang, Wei; Zhang, Ping; He, Xian-Tu

    2015-01-01

    A precise calculation that translates shifts of X-ray K-absorption edges to variations of thermodynamic properties allows quantitative characterization of interior thermodynamic properties of warm dense plasmas by X-ray absorption techniques, which provides essential information for inertial confinement fusion and other astrophysical applications. We show that this interpretation can be achieved through an improved first-principles method. Our calculation shows that the shift of K-edges exhibits selective sensitivity to thermal parameters and thus would be a suitable temperature index to warm dense plasmas. We also show with a simple model that the shift of K-edges can be used to detect inhomogeneity inside warm dense plasmas when combined with other experimental tools.

  7. Femtosecond laser-induced modification of potassium-magnesium silicate glasses: An analysis of structural changes by near edge x-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Seuthe, T.; Eberstein, M. [Fraunhofer-Institut fuer Keramische Technologien und Systeme (IKTS), Winterbergstrasse 28, 01277 Dresden (Germany); Hoefner, M.; Eichler, H. J.; Grehn, M. [Technische Universitaet Berlin, Institut fuer Optik und Atomare Physik, Strasse des 17. Juni 135, 10623 Berlin (Germany); Reinhardt, F. [Physikalisch-Technische Bundesanstalt (PTB), Abbestr. 2-12, 10587 Berlin (Germany); Tsai, W. J. [ITRI South, Industrial Technology Research Institute, 8 Gongyan Rd., Liu-jia District, Tainan City 73445, Taiwan (China); Bonse, J. [BAM Bundesanstalt fuer Materialforschung und - pruefung, Unter den Eichen 87, 12205 Berlin (Germany)

    2012-05-28

    The effects of femtosecond laser pulse irradiation on the glass structure of alkaline silicate glasses were investigated by x-ray absorption near edge structure spectroscopy using the beamline of the Physikalisch-Technische Bundesanstalt at the electron synchrotron BESSY II in Berlin (Germany) by analyzing the magnesium K-edge absorption peak for different laser fluences. The application of fluences above the material modification threshold (2.1 J/cm{sup 2}) leads to a characteristic shift of {approx}1.0 eV in the K-edge revealing a reduced ({approx}3%) mean magnesium bond length to the ligated oxygen ions (Mg-O) along with a reduced average coordination number of the Mg ions.

  8. 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.

  9. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-10-07

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

  11. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  13. Effect of Dopants and Surface Morphology on the Absorption Edge of ZnO Films DOPED with in, Al, and Ga

    Science.gov (United States)

    Kapustianyk, V. B.; Turko, B. I.; Rudyk, V. P.; Kulyk, B. Y.; Rudko, M. S.

    2015-03-01

    We have studied the surface morphology and intrinsic absorption spectra for zinc oxide thin fi lms with different levels of doping by indium, aluminum, or gallium, deposited by high-frequency magnetron sputtering on glass substrates. We show that as the dopant concentration increases (indium >5 wt.%, aluminum >0.3 wt.%, and gallium >2.2 wt.%) in ZnO films, a decrease may occur in the average sizes of the crystallites and accordingly there may be an increase in the concentration of structural defects in the form of intercrystallite boundaries. We have established that in ZnO films, with an increase in the indium dopant concentration from 1.7 to 6.6 wt.%, the optical bandgap width decreases from 3.30 to 3.27 eV due to the increase in the number of structural defects. We estimate the concentration of free charge carriers and show that the shift in the fundamental absorption edge in thin fi lms of ZnO:Al and ZnO:Ga as the dopant level increases is due to the Burstein-Moss effect.

  14. A transient absorption study of allophycocyanin

    Indian Academy of Sciences (India)

    Unknown

    A transient absorption study of allophycocyanin. 619 bb gb se ia. AAA ρε ε ε. ) (. 1. 1. 0. −. −. = −=∆. , dd gb se ia cc gb se ia ρε ε ε ρε ε ε. ) (. ) (. 3. 3. 2. 2. −. −. +. −. −. +. , ee gb se ia ρε ε ε. ) (. 4. 4. −. −. +. , where. 4. 3. 2. 1 gb gb gb gb gb ε ε ε ε ε. +. +. +. = ,. )0(. 1. 0 aa gb. A ρε. = , and ee dd cc bb aa aa ρ ρ ρ ρ ρ ρ. +. +. +. +. = )0(.

  15. 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.

  16. Assessment of chemical species of lead accumulated in tidemarks of human articular cartilage by X-ray absorption near-edge structure analysis

    Energy Technology Data Exchange (ETDEWEB)

    Meirer, Florian [Atominstitut, Vienna University of Technology, 1020 Wien (Austria); MiNALab, CMM-Irst, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Trento (Italy); Pemmer, Bernhard, E-mail: bpemmer@ati.ac.at [Atominstitut, Vienna University of Technology, 1020 Wien (Austria); Pepponi, Giancarlo [MiNALab, CMM-Irst, Fondazione Bruno Kessler, Via Sommarive 18, 38123 Trento (Italy); Zoeger, Norbert; Wobrauschek, Peter [Atominstitut, Vienna University of Technology, 1020 Wien (Austria); Sprio, Simone; Tampieri, Anna [Istituto di Scienza e Tecnologia dei Materiali Ceramici CNR, Faenca (Italy); Goettlicher, Joerg; Steininger, Ralph; Mangold, Stefan [Institute for Synchrotron Radiation, Karlsruhe Institute of Technology, Campus South, 76344 Eggenstein-Leopoldshafen (Germany); Roschger, Paul [Ludwig Boltzmann Institute of Osteology, Hanusch Hospital of WGKK and AUVA Trauma Centre Meidling, 4th Medical Department, Hanusch Hospital, Vienna (Austria); Berzlanovich, Andrea [Department of Forensic Medicine, Medical University of Vienna, A-1090 Vienna (Austria); Hofstaetter, Jochen G. [Ludwig Boltzmann Institute of Osteology, Hanusch Hospital of WGKK and AUVA Trauma Centre Meidling, 4th Medical Department, Hanusch Hospital, Vienna (Austria); Department of Orthopaedics, Vienna General Hospital, Medical University of Vienna, A-1090 Vienna (Austria); Streli, Christina [Atominstitut, Vienna University of Technology, 1020 Wien (Austria)

    2011-03-01

    Lead is a toxic trace element that shows a highly specific accumulation in the transition zone between calcified and non-calcified articular cartilage, the so-called ‘tidemark’. Excellent agreement has been found between XANES spectra of synthetic Pb-doped carbonated hydroxyapatite and spectra obtained in the tidemark region and trabecular bone of normal human samples, confirming that in both tissues Pb is incorporated into the hydroxyapatite crystal structure of bone. During this study the µ-XANES set-up at the SUL-X beamline at ANKA was tested and has proven to be well suited for speciation of lead in human mineralized tissue samples. A highly specific accumulation of the toxic element lead was recently measured in the transition zone between non-calcified and calcified normal human articular cartilage. This transition zone, the so-called ‘tidemark’, is considered to be an active calcification front of great clinical importance. However, little is known about the mechanisms of accumulation and the chemical form of Pb in calcified cartilage and bone. Using spatially resolved X-ray absorption near-edge structure analysis (µ-XANES) at the Pb L{sub 3}-edge, the chemical state of Pb in the osteochondral region was investigated. The feasibility of the µ-XANES set-up at the SUL-X beamline (ANKA synchrotron light source) was tested and confirmed by comparing XANES spectra of bulk Pb-reference compounds recorded at both the XAS and the SUL-X beamline at ANKA. The µ-XANES set-up was then used to investigate the tidemark region of human bone (two patella samples and one femoral head sample). The spectra recorded at the tidemark and at the trabecular bone were found to be highly correlated with the spectra of synthetic Pb-doped carbonated hydroxyapatite, suggesting that in both of these very different tissues Pb is incorporated into the hydroxyapatite structure.

  17. Fine structures in refractive index of sapphire at the L(II,III) absorption edge of aluminum determined by soft x-ray resonant reflectivity.

    Science.gov (United States)

    Das, Arijeet; Gupta, Rajkumar K; Modi, Mohammed H; Mukherjee, Chandrachur; Rai, Sanjay K; Bose, Aniruddha; Ganguli, Tapas; Joshi, Satish C; Lodha, Gyan S; Deb, Sudip K

    2012-10-20

    The optical constants of sapphire crystal (α-Al(2)O(3)) and amorphous Al(2)O(3) in the soft x-ray region (67-85 eV) around the aluminum LII,III absorption edge (73.1 eV) are determined by angle-dependent x-ray reflectivity. The differences between the optical constant values of both the samples are discussed. The fine structures obtained in the absorption of crystalline sapphire are explained. An absorption feature at 70.2 eV is observed for the first time for crystalline alumina. Both datasets are compared to the tabulated values of Henke et al. [At. Data Nucl. Data Tables 54, 181 (1993)], Weaver et al. [Physik Daten, Physics Data: Optical Properties of Metals (Fach-information zentrum, 1981), Vols. 18-1 and 18-2], and [Handbook of Optical Constants of Solids II (Academic, 1991)].

  18. Computational study of precision nitrogen doping on graphene nanoribbon edges

    Science.gov (United States)

    Dong, Yuan; Gahl, Martha T.; Zhang, Chi; Lin, Jian

    2017-12-01

    Nitrogen doping in graphene is important for applications spanning from electronics to metal-free electrocatalysts. Despite much experimental study, limited theoretic work has been done in understanding the mechanism of the doping process, especially from a precision perspective. Herein, we present a computational study on precision nitrogen doping on edges of graphene nanoribbons (GNRs) by combining molecular dynamics (MD) simulation at a time scale of 40 ns and density function theory (DFT) calculation. In the MD study both ammonia and acetonitrile were used as nitrogen sources. MD results revealed that the ammonia produces almost all amine-type dopants, while the acetonitrile produces a considerable amount of pyrrolic and pyridinic nitrogen dopants which are beneficial to electronics and electrocatalysts. Results also show that the concentration of pyrrolic and pyridinic dopants can be precisely controlled by the edge geometries of the GNRs. Furthermore, DFT calculation illustrated the reaction mechanism in these different types of the GNRs when using acetonitrile as the nitrogen source. The calculated energies in different reaction stages indicate the stability of dopants on various GNRs, agreeing well with the MD results. The disclosed mechanism of controllable nitrogen doping on the edges of the GNRs would provide guidance to experimental realization, paving new routes to widespread applications.

  19. Band structure and optical absorption in multilayer armchair graphene nanoribbons: A Pariser-Parr-Pople model study

    Science.gov (United States)

    Gundra, Kondayya; Shukla, Alok

    2011-08-01

    Using the tight-binding and Pariser-Parr-Pople model Hamiltonians, we study the electronic structure and optical response of multilayer armchair graphene nanoribbons (AGNRs), both with and without a gate bias. In particular, the influence of the number of layers (n), and the strength of the electric field applied perpendicularly to layers, for different types of edge alignments is explored via their electro-optical properties. As a function of increasing n, the energy gap initially decreases, eventually saturating for large n. The intensity of the linear optical absorption in these systems also increases with increasing n and depends crucially on the polarization direction of the incident light and the type of the edge alignment. This provides an efficient way of determining the nature of the edge alignment, and n, in the experiments. In the presence of a gate bias, the intensity of optical absorption behaves in a nontrivial way. The absorption becomes more intense for the large fields in narrow ribbons exhibiting a redshift of the band gap with the increasing field strength, while in broad ribbons exhibiting a blueshift, the absorption becomes weaker. However, for smaller electric fields, the absorption intensity exhibits more complicated behavior with respect to the field strength. Thus, the effect of the gate bias on optical absorption intensity in multilayer AGNRs is in sharp contrast to bilayer graphene, which exhibits only enhancement of the absorption intensity with the increasing electric field.

  20. 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.

  1. The different nature of band edge absorption and emission in colloidal pbse/cdse core/shell quantum dots

    NARCIS (Netherlands)

    De Geyter, B.; Justo, J.; Moreels, I.; Lambert, K.; Smet, P.F.; Van Thourhout, D.; Houtepen, A.J.; Grodzinska, D.|info:eu-repo/dai/nl/315030186; de Mello Donegá, C.|info:eu-repo/dai/nl/125593899; Meijerink, A.|info:eu-repo/dai/nl/075044986; Vanmaekelbergh, D.A.M.|info:eu-repo/dai/nl/304829137; Hens, Z.

    2011-01-01

    We present a quantitative analysis of the absorption and luminescence of colloidal PbSe/CdSe core/shell quantum dots (QDs). In absorption, both the energy and the oscillator strength of the first exciton transition coincide with that of plain PbSe QDs. In contrast, luminescence lifetime measurements

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-06-01

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

  3. 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.

  4. Comparative study on three highly sensitive absorption measurement techniques characterizing lithium niobate over its entire transparent spectral range.

    Science.gov (United States)

    Leidinger, M; Fieberg, S; Waasem, N; Kühnemann, F; Buse, K; Breunig, I

    2015-08-24

    We employ three highly sensitive spectrometers: a photoacoustic spectrometer, a photothermal common-path interferometer and a whispering-gallery-resonator-based absorption spectrometer, for a comparative study of measuring the absorption coefficient of nominally transparent undoped, congruently grown lithium niobate for ordinarily and extraordinarily polarized light in the wavelength range from 390 to 3800 nm. The absorption coefficient ranges from below 10(-4) cm(-1) up to 2 cm(-1). Furthermore, we measure the absorption at the Urbach tail as well as the multiphonon edge of the material by a standard grating spectrometer and a Fourier-transform infrared spectrometer, providing for the first time an absorption spectrum of the whole transparency window of lithium niobate. The absorption coefficients obtained by the three highly sensitive and independent methods show good agreement.

  5. X-ray absorption study of diamond films grown by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.; Ruckman, M.W.; Skotheim, T.A. (Brookhaven National Laboratory, Upton, New York 11973 (USA)); den Boer, M.; Zheng, Y. (The City University of New York, New York, New York 10021 (USA)); Badzian, A.R.; Badzian, T.; Messier, R. (The Pennsylvania State University, University Park, Pennsylvania 16802 (USA)); Srivatsa, A.R. (Moltech Corporation, Stony Brook, New York 11974 (USA))

    1991-05-01

    Carbon {ital k}-edge x-ray absorption fine structure (XAFS) is used to study the structure and bonding of chemical vapor deposition (CVD) grown diamond and diamond-like carbon films. Diamond films grown at 875 {degree}C on silicon using a 1% CH{sub 4} /H{sub 2} mixture have near-edge spectra resembling type 1(a) natural diamond. The {ital k}-edges of the diamond-like films grown by electron cyclotron resonance CVD at 200 {degree}C using 10{sup {minus}4} Torr of CH{sub 4} show a broad main peak lacking the sharp structure of graphite or diamond. Comparing the near edges of the CVD diamond film with other carbon compounds (i.e., graphite) and the CVD diamond film, the diamond-like film shows a strong {pi}* feature at 285 eV indicative of sp{sup 2} bonded carbon and a feature at 289 eV, the {sigma}*(C--H) resonance indicating C--H bonds. The relatively weak extended x-ray absorption fine structure (EXAFS) shows that the diamond-like carbon film is highly disordered on an atomic level.

  6. Unraveling the solid-liquid-vapor phase transition dynamics at the atomic level with ultrafast x-ray absorption near-edge spectroscopy.

    Science.gov (United States)

    Dorchies, F; Lévy, A; Goyon, C; Combis, P; Descamps, D; Fourment, C; Harmand, M; Hulin, S; Leguay, P M; Petit, S; Peyrusse, O; Santos, J J

    2011-12-09

    X-ray absorption near-edge spectroscopy (XANES) is a powerful probe of electronic and atomic structures in various media, ranging from molecules to condensed matter. We show how ultrafast time resolution opens new possibilities to investigate highly nonequilibrium states of matter including phase transitions. Based on a tabletop laser-plasma ultrafast x-ray source, we have performed a time-resolved (∼3  ps) XANES experiment that reveals the evolution of an aluminum foil at the atomic level, when undergoing ultrafast laser heating and ablation. X-ray absorption spectra highlight an ultrafast transition from the crystalline solid to the disordered liquid followed by a progressive transition of the delocalized valence electronic structure (metal) down to localized atomic orbitals (nonmetal-vapor), as the average distance between atoms increases.

  7. In-operando synchronous time-multiplexed O K-edge x-ray absorption spectromicroscopy of functioning tantalum oxide memristors

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Suhas [Hewlett-Packard Laboratories, 1501 Page Mill Road, Palo Alto, California 94304 (United States); Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States); Graves, Catherine E.; Strachan, John Paul, E-mail: john-paul.strachan@hp.com; Williams, R. Stanley [Hewlett-Packard Laboratories, 1501 Page Mill Road, Palo Alto, California 94304 (United States); Kilcoyne, A. L. David; Tyliszczak, Tolek [Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Nishi, Yoshio [Department of Electrical Engineering, Stanford University, Stanford, California 94305 (United States)

    2015-07-21

    Memristors are receiving keen interest because of their potential varied applications and promising large-scale information storage capabilities. Tantalum oxide is a memristive material that has shown promise for high-performance nonvolatile computer memory. The microphysics has been elusive because of the small scale and subtle physical changes that accompany conductance switching. In this study, we probed the atomic composition, local chemistry, and electronic structure of functioning tantalum oxide memristors through spatially mapped O K-edge x-ray absorption. We developed a time-multiplexed spectromicroscopy technique to enhance the weak and possibly localized oxide modifications with spatial and spectral resolutions of <30 nm and 70 meV, respectively. During the initial stages of conductance switching of a micrometer sized crosspoint device, the spectral changes were uniform within the spatial resolution of our technique. When the device was further driven with millions of high voltage-pulse cycles, we observed lateral motion and separation of ∼100 nm-scale agglomerates of both oxygen interstitials and vacancies. We also demonstrate a unique capability of this technique by identifying the relaxation behavior in the material during electrical stimuli by identifying electric field driven changes with varying pulse widths. In addition, we show that changes to the material can be localized to a spatial region by modifying its topography or uniformity, as against spatially uniform changes observed here during memristive switching. The goal of this report is to introduce the capability of time-multiplexed x-ray spectromicroscopy in studying weak-signal transitions in inhomogeneous media through the example of the operation and temporal evolution of a memristor.

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

    Science.gov (United States)

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

    2018-01-01

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

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

    Science.gov (United States)

    Roemelt, Michael; Maganas, Dimitrios; DeBeer, Serena; Neese, Frank

    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' = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with MS = S,..., -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 transition metals. These

  10. Online recruitment of cutting-edge users : A user experience study of Ericsson Labs developer portal

    OpenAIRE

    Abramowicz, Sara

    2010-01-01

    This thesis investigates how to reach and recruit cutting-edge users to user experience studies. The recruitment of cutting-edge users is difficult since these users usually are not registered in recruitment databases. Cutting-edge users are advanced, early-adopters of technology and sometimes referred to as opinion leaders. Telecom research projects performed at Ericsson Research involve products and services 2-3 years ahead of the market; early-adopters and cutting edge users are therefore ...

  11. 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 ...

  12. X-ray absorption Studies of Zinc species in Centella asiatica

    Science.gov (United States)

    Dehipawala, Sunil; Cheung, Tak; Hogan, Clayton; Agoudavi, Yao; Dehipawala, Sumudu

    2013-03-01

    Zinc is a very important mineral present in a variety of vegetables. It is an essential element in cellular metabolism and several bodily functions. We used X-ray fluorescence, and X-ray Absorption near Edge structure(XANES) to study the amount of zinc present in several leafy vegetables as well as its chemical environment within the plant. Main absorption edge position of XANES is sensitive to the oxidation state of zinc and is useful when comparing the type of zinc present in different vegetables to the standard zinc present in supplements. Normalized main edge height is proportional to the amount of zinc present in the sample. Several leafy greens were used in this study, such as Spinacia oleracea, Basella alba, Brassica oleracea, Cardiospermum halicacabumand Centella asiatica. All of these plant leaves contained approximately the same amount of zinc in the leaf portion of the plant and a slightly lower amount in the stems, except Centella asiatica. Both leaves and stems of the plant Centella asiatica contained nearly two times the zinc compared to other plants. Further investigation of zinc's chemical environment within Centella asiatica could lead to a much more efficient dietary consumption of zinc. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886

  13. Extended X-ray absorption fine structure studies of GaN epilayers doped with Er

    Science.gov (United States)

    Katchkanov, V.; Mosselmans, J. F. W.; O'Donnell, K. P.; Nogales, E.; Hernandez, S.; Martin, R. W.; Steckl, A.; Lee, D. S.

    2006-05-01

    The structural properties of Er doped GaN epilayers were studied by means of extended X-ray absorption fine structure (EXAFS) measured at the Er L III and Ga K-edges. The samples were doped with Er in-situ during growth by molecular beam epitaxy (MBE). The Ga local structure was found to be the same in all samples studied. Er L III-edge EXAFS showed that when growth conditions were gradually changed from Ga-rich to Ga-poor, an increase in Er concentration from 0.15 at.% to 0.64 at.% is accompanied by the sequential formation of ErGaN, ErGaN clusters with locally high Er content and finally a pure ErN component. This study indicates that Er incorporation into GaN is enhanced under Ga-poor conditions, at the expense of the formation of Er-rich clusters and ErN precipitates.

  14. A study of slanted-edge MTF stability and repeatability

    Science.gov (United States)

    Roland, Jackson K. M.

    2015-01-01

    The slanted-edge method of measuring the spatial frequency response (SFR) as an approximation of the modulation transfer function (MTF) has become a well known and widely used image quality testing method over the last 10 years. This method has been adopted by multiple international standards including ISO and IEEE. Nearly every commercially available image quality testing software includes the slanted-edge method and there are numerous open-source algorithms available. This method is one of the most important image quality algorithms in use today. This paper explores test conditions and the impacts they have on the stability and precision of the slanted-edge method as well as details of the algorithm itself. Real world and simulated data are used to validate the characteristics of the algorithm. Details of the target such as edge angle and contrast ratio are tested to determine the impact on measurement under various conditions. The original algorithm defines a near vertical edge so that errors introduced are minor but the theory behind the algorithm requires a perfectly vertical edge. A correction factor is introduced as a way to compensate for this problem. Contrast ratio is shown to have no impact on results in an absence of noise.

  15. On the importance of nuclear quantum motions in near edge x-ray absorption fine structure (NEXAFS) spectroscopy of molecules

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Craig P.; Uejio, Janel S.; Saykally, Richard J.; Prendergast, David

    2009-02-26

    We report the effects of sampling nuclear quantum motion with path integral molecular dynamics (PIMD) on calculations of the nitrogen K-edge spectra of two isolated organic molecules. S-triazine, a prototypical aromatic molecule occupying primarily its vibrational ground state at room temperature, exhibits substantially improved spectral agreement when nuclear quantum effects are included via PIMD, as compared to the spectra obtained from either a single fixed-nuclei based calculation or from a series of configurations extracted from a classical molecular dynamics trajectory. Nuclear quantum dynamics can accurately explain the intrinsic broadening of certain features. Glycine, the simplest amino acid, is problematic due to large spectral variations associated with multiple energetically accessible conformations at the experimental temperature. This work highlights the sensitivity of NEXAFS to quantum nuclear motions in molecules, and the necessity of accurately sampling such quantum motion when simulating their NEXAFS spectra.

  16. X-ray absorption studies of organo-disulfide redox cathodes

    Energy Technology Data Exchange (ETDEWEB)

    Skotheim, T.A. (Moltech Corp., Stony Brook, NY (United States)); Yang, X.Q.; Xue, K.H.; Lee, H.S.; McBreen, J. (Brookhaven National Lab., Upton, NY (United States)); Lu, F. (Kentucky Univ., Lexington, KY (United States))

    1991-01-01

    We have measured the near-edge x-ray absorption fine structure (NEXAFS) spectra of the K-edge of sulfur in organo-disulfide redox polymeric electrodes in both charged and discharged states. The formation and scission of S-S bonding during the charge-discharge cycle were observed through NEXAFS spectroscopy. 4 refs., 2 figs.

  17. [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

  18. 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.

  19. X-RAY ABSORPTION FINE STRUCTURE (XAFS) STUDIES OF SOME COPPER COMPOUNDS AND COMPLEXES OF BIOLOGICAL IMPORTANCE

    OpenAIRE

    Gaur, Abhijeet

    2012-01-01

    In the present thesis, the X-ray absorption fine structure (XAFS)spectroscopy has been used to study copper compounds and complexes. Studies have been done using both EXAFS and XANES spectroscopies. Basically, following two types of studies have been made. Firstly, EXAFS study at the K-edge of copper in mixed ligand copper complexes of biological significance have been done to yield useful and important information about the molecular structure of the complexes which are mononuclear, bi...

  20. Examination of the site preference of metals in NiAl{sub 2−x}Ga{sub x}O{sub 4} spinel-type oxides by X-ray absorption near-edge spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Walker, James D.S.; Hayes, John R.; Grosvenor, Andrew P., E-mail: andrew.grosvenor@usask.ca

    2014-08-15

    Highlights: • Average coordination number of cations in NiAl{sub 2−x}Ga{sub x}O{sub 4} investigated by XANES. • Average Al and Ga coordination increases with increasing Ga concentration. • Al L{sub 2,3}- and Ga K-edge XANES spectra are very sensitive to changes in coordination. - Abstract: Materials adopting the spinel-type structure have received considerable attention owing to the compositional diversity and the large number of potential applications for these materials. Although many studies of ternary spinel-type oxides have been completed, few studies have investigated quaternary materials. The NiAl{sub 2−x}Ga{sub x}O{sub 4} spinel-type system was investigated in this study by X-ray absorption near-edge spectroscopy (XANES) and powder X-ray diffraction to study how the metal-site preference changed depending on composition. The Al L{sub 2,3}-edge XANES spectra showed that Al occupied the tetrahedral and octahedral sites when x in the chemical formula was low, and preferentially occupied the octahedral site as x increased. The Ga K-edge XANES spectra confirmed that Ga{sup 3+} has a strong preference for residing in the tetrahedral site and that this ion only partially occupied the octahedral sites when the concentration of Ga{sup 3+} in the system was sufficiently large. The Ni K-edge XANES spectra showed that Ni{sup 2+} has a strong preference for residing in the octahedral site, and that more Ni{sup 2+} was present in the tetrahedral site in NiAl{sub 2}O{sub 4} vs. NiGa{sub 2}O{sub 4}. Rietveld refinement of powder X-ray diffraction patterns from the ternary end members were in general agreement with these results. This study has demonstrated the utility of using XANES to investigate the site preference of Al and Ga through the examination of Al L{sub 2,3}- and Ga K-edge spectra, respectively.

  1. 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.

  2. L-Edge X-ray Absorption Spectroscopy of Dilute Systems Relevant to Metalloproteins Using an X-ray Free-Electron Laser

    NARCIS (Netherlands)

    Mitzner, Rolf; Rehanek, Jens; Kern, Jan; Gul, Sheraz; Hattne, Johan; Taguchi, Taketo; Alonso-Mori, Roberto; Tran, Rosalie; Weniger, Christian; Schroeder, Henning; Quevedo, Wilson; Laksmono, Hartawan; Sierra, Raymond G.; Han, Guangye; Lassalle-Kaiser, Benedikt; Koroidov, Sergey; Kubicek, Katharina; Schreck, Simon; Kunnus, Kristjan; Brzhezinskaya, Maria; Firsov, Alexander; Minitti, Michael P.; Turner, Joshua J.; Moeller, Stefan; Sauter, Nicholas K.; Bogan, Michael J.; Nordlund, Dennis; Schlotter, William F.; Messinger, Johannes; Borovik, Andrew; Techert, Simone; de Groot, Frank M. F.|info:eu-repo/dai/nl/08747610X; Foehlisch, Alexander; Erko, Alexei; Bergmann, Uwe; Yachandra, Vittal K.; Wernet, Philippe; Yano, Junko

    2013-01-01

    L-edge spectroscopy of 3d transition metals provides important electronic structure information and has been used in many fields. However, the use of this method for studying dilute aqueous systems, such as metalloenzymes, has not been prevalent because of severe radiation damage and the lack of

  3. 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.

  4. Absorption in Sport: A Cross-Validation Study

    Science.gov (United States)

    Koehn, Stefan; Stavrou, Nektarios A. M.; Cogley, Jeremy; Morris, Tony; Mosek, Erez; Watt, Anthony P.

    2017-01-01

    Absorption has been identified as readiness for experiences of deep involvement in the task. Conceptually, absorption is a key psychological construct, incorporating experiential, cognitive, and motivational components. Although, no operationalization of the construct has been provided to facilitate research in this area, the purpose of this research was the development and examination of the psychometric properties of a sport-specific measure of absorption that evolved from the use of the modified Tellegen Absorption Scale (MODTAS; Jamieson, 2005) in mainstream psychology. The study aimed to provide evidence of the psychometric properties, reliability, and validity of the Measure of Absorption in Sport Contexts (MASCs). The psychometric examination included a calibration sample from Scotland and a cross-validation sample from Australia using a cross-sectional design. The item pool was developed based on existing items from the modified Tellegen Absorption Scale (Jamieson, 2005). The MODTAS items were reworded and translated into a sport context. The Scottish sample consisted of 292 participants and the Australian sample of 314 participants. Congeneric model testing and confirmatory factor analysis for both samples and multi-group invariance testing across samples was used. In the cross-validation sample the MASC subscales showed acceptable internal consistency and construct reliability (≥0.70). Excellent fit indices were found for the final 18-item, six-factor measure in the cross-validation sample, χ(120)2 = 197.486, p sport-specific measure of absorption. The MASC provides rich research opportunities in sport psychology that can enhance the theoretical understanding between absorption and related constructs and facilitate future intervention studies. PMID:28883802

  5. Absorption in Sport: A Cross-Validation Study.

    Science.gov (United States)

    Koehn, Stefan; Stavrou, Nektarios A M; Cogley, Jeremy; Morris, Tony; Mosek, Erez; Watt, Anthony P

    2017-01-01

    Absorption has been identified as readiness for experiences of deep involvement in the task. Conceptually, absorption is a key psychological construct, incorporating experiential, cognitive, and motivational components. Although, no operationalization of the construct has been provided to facilitate research in this area, the purpose of this research was the development and examination of the psychometric properties of a sport-specific measure of absorption that evolved from the use of the modified Tellegen Absorption Scale (MODTAS; Jamieson, 2005) in mainstream psychology. The study aimed to provide evidence of the psychometric properties, reliability, and validity of the Measure of Absorption in Sport Contexts (MASCs). The psychometric examination included a calibration sample from Scotland and a cross-validation sample from Australia using a cross-sectional design. The item pool was developed based on existing items from the modified Tellegen Absorption Scale (Jamieson, 2005). The MODTAS items were reworded and translated into a sport context. The Scottish sample consisted of 292 participants and the Australian sample of 314 participants. Congeneric model testing and confirmatory factor analysis for both samples and multi-group invariance testing across samples was used. In the cross-validation sample the MASC subscales showed acceptable internal consistency and construct reliability (≥0.70). Excellent fit indices were found for the final 18-item, six-factor measure in the cross-validation sample, [Formula: see text] = 197.486, p sport-specific measure of absorption. The MASC provides rich research opportunities in sport psychology that can enhance the theoretical understanding between absorption and related constructs and facilitate future intervention studies.

  6. An extended x-ray absorption fine structure study of rare-earth phosphate glasses near the metaphosphate composition

    OpenAIRE

    Anderson, Ruth; Brennan, Tessa; Cole, Jacqueline M.; Mountjoy, Gavin; Pickup, David M.; Newport, Robert J.; Saunders, George A.

    1999-01-01

    A variable-temperature (79, 145, and 293 K) extended x-ray absorption fine structure study, using rare-earth L-III absorption edges, is reported for phosphate glasses doped with rare-earth elements (R, where R = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, and Er) with compositions close to metaphosphate, R(PO3)(3). The results yield nearest-neighbor R-O distances that demonstrate the lanthanide contraction in a glassy matrix and an R-O coordination intermediate between 6 and 7 for ran-earth ions ...

  7. Static Extended Trailing Edge for Lift Enhancement: Experimental and Computational Studies

    Science.gov (United States)

    Liu, Tianshu; Montefort; Liou, William W.; Pantula, Srinivasa R.; Shams, Qamar A.

    2007-01-01

    A static extended trailing edge attached to a NACA0012 airfoil section is studied for achieving lift enhancement at a small drag penalty. It is indicated that the thin extended trailing edge can enhance the lift while the zero-lift drag is not significantly increased. Experiments and calculations are conducted to compare the aerodynamic characteristics of the extended trailing edge with those of Gurney flap and conventional flap. The extended trailing edge, as a simple mechanical device added on a wing without altering the basic configuration, has a good potential to improve the cruise flight efficiency.

  8. Electro-absorption of silicene and bilayer graphene quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Abdelsalam, Hazem, E-mail: hazem.abdelsalam@etu.u-picardie.fr [Laboratory of Condensed Matter Physics, University of Picardie, Amiens 80039 (France); Department of Theoretical Physics, National Research Center, Cairo 12622 (Egypt); Talaat, Mohamed H. [Physics Department, Faculty of Science, Ain Shams University, Cairo (Egypt); Lukyanchuk, Igor [Laboratory of Condensed Matter Physics, University of Picardie, Amiens 80039 (France); L. D. Landau Institute for Theoretical Physics, Moscow (Russian Federation); Portnoi, M. E. [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom); Saroka, V. A., E-mail: v.saroka@exeter.ac.uk [School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL (United Kingdom); Institute for Nuclear Problems, Belarusian State University, Bobruiskaya 11, 220030 Minsk (Belarus)

    2016-07-07

    We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, the optical absorption is calculated for quantum dots, of triangular and hexagonal shapes, with zigzag and armchair edge terminations. We show that in triangular silicene clusters with zigzag edges a rich and widely tunable infrared absorption peak structure originates from transitions involving zero energy states. The edge of absorption in silicene quantum dots undergoes red shift in the external electric field for triangular clusters, whereas blue shift takes place for hexagonal ones. In small clusters of bilayer graphene with zigzag edges the edge of absorption undergoes blue/red shift for triangular/hexagonal geometry. In armchair clusters of silicene blue shift of the absorption edge takes place for both cluster shapes, while red shift is inherent for both shapes of the bilayer graphene quantum dots.

  9. In situ X-ray absorption spectroscopy of transition metal based water oxidation catalysts

    NARCIS (Netherlands)

    van Oversteeg, Christina H M; Doan, Hoang Q; de Groot, Frank M F; Cuk, Tanja

    2016-01-01

    X-ray absorption studies of the geometric and electronic structure of primarily heterogeneous Co, Ni, and Mn based water oxidation catalysts are reviewed. The X-ray absorption near edge and extended X-ray absorption fine structure studies of the metal K-edge, characterize the metal oxidation state,

  10. 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.

  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. Temperature dependence of ion pairing of a potassium salt in nonaqueous liquid and polymer electrolytes: X-ray absorption studies

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.Q.; Lee, H.S.; McBreen, J. (Brookhaven National Laboratory, Upton, New York 11973 (United States)); Xu, Z.S.; Skotheim, T.A. (Moltech Corporation, Stony Brook, New York 11794-2275 (United States)); Okamoto, Y. (Polytechnic University, Brooklyn, New York 11201 (United States)); Lu, F. (CFFLS, University of Kentucky, Lexington, Kentucky 40506 (United States))

    1994-08-15

    Near-edge x-ray absorption fine structure spectroscopy was used to study the effect of temperature on ion pairing of a potassium salt in a modified carbonate (MC3) solution and in a poly(ethylene oxide)-potassium salt complex that used MC3 as a plasticizer. The modified carbonate was made by attaching three ethylene oxide units to the four position of ethylene carbonate. Spectra were obtained, at the [ital K] edge of potassium, over the temperature range of 25--110 [degree]C. Studies of reference systems showed a correlation between ion pairing and white line splitting in the near-edge region of the spectra. The degree of white line splitting was used as a qualitative indicator of the degree of ion pairing as a function of temperature. The results indicate that, in both systems, the number of ion pairs increases with increasing temperature.

  13. Surface Structure and Chemical Switching of Thioctic Acid Adsorbed on Au(111) as Observed Using Near-Edge X-ray Absorption Fine Structure

    Energy Technology Data Exchange (ETDEWEB)

    Meulenberg, R W; van Buuren, T; Vance, A L; Terminello, L J; Willey, T M; Bostedt, C; Fadley, C S

    2004-01-06

    Thioctic acid (alpha-lipoic acid) is a molecule with a large disulfide-containing base, a short alkyl-chain with four CH{sub 2} units, and a carboxyl termination. Self-assembled monolayer (SAM) films of thioctic acid adsorbed on Au(111) have been investigated with near-edge x-ray absorption fine structure (NEXAFS) spectroscopy and x-ray photoelectron spectroscopy (XPS) to determine film quality, bonding and morphology. Using standard preparation protocols for SAMs, that is, dissolving thioctic acid in ethanol and exposing gold to the solution, results in poor films. These films are highly disordered, contain a mixture of carboxyl and carboxylate terminations, have more than monolayer coverage, and exhibit unbound disulfide. Conversely, forming films by dissolving 1 mmol thioctic acid into 5% acetic acid in ethanol (as previously reported with carboxyl-terminated alkyl-thiols) forms ordered monolayers with small amounts of unbound sulfur. NEXAFS indicates tilted over endgroups with the carboxyl group normal on average 38{sup o} from the surface normal. Slight dichroism in other features indicates alkyl chains statistically more upright than prostrate on the surface. Reflection-absorption Fourier transform infrared (RA-FTIR) spectra indicate hydrogen bonding between neighboring molecules. In such well-formed monolayers, a stark reorientation occurs upon deprotonation of the endgroup by rinsing in a KOH solution. The carboxylate plane normal is now about 66{sup o} from sample normal, a much more upright orientation. Data indicate this reorientation may also cause a more upright orientation to the alkyl portion of the molecules.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-03-01

    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 (/sup 3/H)-biotin and (/sup 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 ..mu..M 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.

  15. An Archival Study of Atomic Constituents in Four Edge-on Debris Disk Systems

    Science.gov (United States)

    Jenkins, Edward

    2017-08-01

    Debris disks around stars are thought to evolve from gas-rich protoplanetary disks and eventually lead to the formation of exoplanet systems. Millimeter, sub-millimeter and far IR observations tell us much about the nature of solid and molecular constituents, but UV absorptions in the spectra of stars central to edge-on disks reveal the nature of atomic gas constituents that lie within such systems. The debris disks around the stars Beta Pictoris and 49 Ceti have already been studied in some detail. We propose to expand the sample by studying four more such targets that were observed with STIS in the highest resolution echelle modes, and this investigation will significantly expand our understanding of intrinsically different systems or ones with different angles of inclination with respect to our sightline. We plan to measure element abundances, which should lead to insights on the composition of the orbiting material. Also, we expect to learn more about the local physical conditions by evaluating the relative populations of atoms in metastable electronic states and fine-structure levels of the ground states.

  16. 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.

  17. 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.

  18. Near-Edge X-Ray Absorption Fine Structure of Ultrananocrystalline Diamond/Hydrogenated Amorphous Carbon Films Prepared by Pulsed Laser Deposition

    Directory of Open Access Journals (Sweden)

    Shinya Ohmagari

    2009-01-01

    Full Text Available The atomic bonding configuration of ultrananocrystalline diamond (UNCD/hydrogenated amorphous carbon (a-C:H films prepared by pulsed laser ablation of graphite in a hydrogen atmosphere was examined by near-edge X-ray absorption fine structure spectroscopy. The measured spectra were decomposed with simple component spectra, and they were analyzed in detail. As compared to the a-C:H films deposited at room substrate-temperature, the UNCD/a-C:H and nonhydrogenated amorphous carbon (a-C films deposited at a substrate-temperature of 550∘C exhibited enhanced ∗ and ∗C≡C peaks. At the elevated substrate-temperature, the ∗ and ∗C≡C bonds formation is enhanced while the ∗C–H and ∗C–C bonds formation is suppressed. The UNCD/a-C:H film showed a larger ∗C–C peak than the a-C film deposited at the same elevated substrate-temperature in vacuum. We believe that the intense ∗C–C peak is evidently responsible for UNCD crystallites existence in the film.

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

    Science.gov (United States)

    Jonane, Inga; Anspoks, Andris; Kuzmin, Alexei

    2018-02-01

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

  20. Identification of sources of lead in the atmosphere by chemical speciation using X-ray absorption near-edge structure (XANES) spectroscopy.

    Science.gov (United States)

    Sakata, Kohei; Sakaguchi, Aya; Tanimizu, Masaharu; Takaku, Yuichi; Yokoyama, Yuka; Takahashi, Yoshio

    2014-02-01

    Sources of Pb pollution in the local atmosphere together with Pb species, major ions, and heavy metal concentrations in a size-fractionated aerosol sample from Higashi-Hiroshima (Japan) have been determined by X-ray absorption near-edge structure (XANES) spectroscopy, ion chromatography, and ICP-MS/AES, respectively. About 80% of total Pb was concentrated in fine aerosol particles. Lead species in the coarse aerosol particles were PbC2O4, 2PbCO3 Pb(OH)2, and Pb(NO3)2, whereas Pb species in the fine aerosol particles were PbC2O4, PbSO4, and Pb(NO3)2. Chemical speciation and abundance data suggested that the source of Pb in the fine aerosol particles was different from that of the coarse ones. The dominant sources of Pb in the fine aerosol particles were judged to be fly ash from a municipal solid waste incinerator and heavy oil combustion. For the coarse aerosol particles, road dust was considered to be the main Pb source. In addition to Pb species, elemental concentrations in the aerosols were also determined. The results suggested that Pb species in size-fractionated aerosols can be used to identify the origin of aerosol particles in the atmosphere as an alternative to Pb isotope ratio measurement.

  1. Study of coupled heat and mass transfer during absorption of ...

    Indian Academy of Sciences (India)

    Performance studies on MmNi4·6Al0·4 based hydrogen storage device are carried out by varying the hydrogen supply pressure, absorption (cooling fluid) temperature, overall heat transfer coefficient and hydride bed thickness. Effect of convection terms in the energy equation on hydrogen storage performance is found to ...

  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. 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 ...

  4. Absorption in Sport: A Cross-Validation Study

    Directory of Open Access Journals (Sweden)

    Stefan Koehn

    2017-08-01

    Full Text Available Absorption has been identified as readiness for experiences of deep involvement in the task. Conceptually, absorption is a key psychological construct, incorporating experiential, cognitive, and motivational components. Although, no operationalization of the construct has been provided to facilitate research in this area, the purpose of this research was the development and examination of the psychometric properties of a sport-specific measure of absorption that evolved from the use of the modified Tellegen Absorption Scale (MODTAS; Jamieson, 2005 in mainstream psychology. The study aimed to provide evidence of the psychometric properties, reliability, and validity of the Measure of Absorption in Sport Contexts (MASCs. The psychometric examination included a calibration sample from Scotland and a cross-validation sample from Australia using a cross-sectional design. The item pool was developed based on existing items from the modified Tellegen Absorption Scale (Jamieson, 2005. The MODTAS items were reworded and translated into a sport context. The Scottish sample consisted of 292 participants and the Australian sample of 314 participants. Congeneric model testing and confirmatory factor analysis for both samples and multi-group invariance testing across samples was used. In the cross-validation sample the MASC subscales showed acceptable internal consistency and construct reliability (≥0.70. Excellent fit indices were found for the final 18-item, six-factor measure in the cross-validation sample, χ(1202 = 197.486, p < 0.001; CFI = 0.957; TLI = 0.945; RMSEA = 0.045; SRMR = 0.044. Multi-group invariance testing revealed no differences in item meaning, except for two items. The MASC and the Dispositional Flow Scale-2 showed moderate-to-strong positive correlations in both samples, r = 0.38, p < 0.001 and r = 0.42, p < 0.001, supporting the external validity of the MASC. This article provides initial evidence in support of the psychometric

  5. 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.

  6. Electron paramagnetic resonance and optical absorption spectral studies on chalcocite

    Science.gov (United States)

    Reddy, S. Lakshmi; Fayazuddin, Md.; Frost, Ray L.; Endo, Tamio

    2007-11-01

    A chalcocite mineral sample of Shaha, Congo is used in the present study. An electron paramagnetic resonance (EPR) study on powdered sample confirms the presence of Mn(II), Fe(III) and Cu(II). Optical absorption spectrum indicates that Fe(III) impurity is present in octahedral structure whereas Cu(II) is present in rhombically distorted octahedral environment. Mid-infrared results are due to water and sulphate fundamentals.

  7. 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.

  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. X-ray absorption spectroscopic studies of zinc in the N-terminal domain of HIV-2 integrase and model compounds

    NARCIS (Netherlands)

    Feiters, M.C.; Eijkelenboom, A.; Nolting, H.-F.; Krebs, B.; van den Ent, F.M.I.; Plasterk, R.H.A.; Kaptein, R.; Boelens, R.

    2003-01-01

    X-ray absorption spectroscopy (XAS), including extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) analysis, has been carried out at the Zn K edge of the N-terminal part of the integrase protein of the human immunodeficiency virus, type 2 (HIV-2), and of

  10. 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.

  11. Study of a neutron irradiated reactor pressure vessel steel by X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cammelli, S. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)], E-mail: sebastiano.cammelli@psi.ch; Degueldre, C.; Kuri, G.; Bertsch, J. [LWV, NES, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland)

    2008-11-15

    Reactor pressure vessel (RPV) reference steel samples submitted to neutron irradiations followed by thermal annealing were investigated by X-ray absorption fine structure (XAFS) spectroscopy. Several studies revealed that Cu and Ni impurities can form nanoclusters. In the unirradiated sample and in the only-irradiated sample no significant clustering is detected. In all irradiated and subsequently annealed samples increases of Cu and Ni atom densities are recorded around the absorber. Furthermore, the density of Cu and Ni atoms determined in the first and second shells around the absorber is found to be affected by the irradiation and annealing treatment. The comparison of the XAFS data at Cu and Ni K-edges shows that these elements reside in arrangements similar to bcc Fe. However, the local irradiation damage yields vacancy fractions which were determined from the analysis of XAFS data with a precision of {approx}5%.

  12. High-pressure x-ray absorption spectroscopy study of tin tungstates

    Science.gov (United States)

    Kuzmin, A.; Anspoks, A.; Kalinko, A.; Timoshenko, J.; Kalendarev, R.; Nataf, L.; Baudelet, F.; Irifune, T.

    2015-09-01

    Room-temperature pressure-dependent (0-25 GPa) x-ray absorption spectroscopy at the W {L}{1,3}-edges of α-SnWO4 and β-SnWO4 was performed using a dispersive setup and a high-pressure nanodiamond anvil cell. The detailed analysis of experimental x-ray absorption near-edge structure and extended x-ray absorption fine structure data suggests that upon increasing pressure, a displacement of tungsten atoms by about 0.2 Å toward the center of the WO6 octahedra occurs in α-SnWO4, whereas the coordination of tungsten atoms changes from tetrahedral to distorted octahedral in β-SnWO4.

  13. The early stages of growth of Mn deposited at room temperature on Ag (001) studied by Mn K-edge SEXAFS and Mn L/sub 2/, L/sub 3/-edges XAS

    CERN Document Server

    Schieffer, P; Krembel, C; Hanf, M C; Gewinner, G; Chandesris, D; Magnan, H; Hricovini, K

    1999-01-01

    The atomic structure of the Ag/sub 0.5/Mn/sub 0.5/ ordered surface alloy formed in the two topmost layers of the Ag substrate when 1 monolayer (ML) Mn is deposited at room temperature on Ag(001) is determined by using Mn K-edge surface extended X-ray absorption fine structure (SEXAFS). The results, which are in agreement with the c (2*2) low energy electron diffraction (LEED) pattern and X-ray photoelectron diffraction (XPD), establishes that Mn adopts here an unusually large atomic volume which is consistent with a large atomic-like moment. The Mn L/sub 2/L/sub 3/ edges soft X-ray absorption spectroscopy (XAS) study of 1ML Mn in-situ deposited confirms that Mn adopts a stable high spin state. For thicker deposits, the growth of a body-centered tetragonal lattice of pure Mn on this diffuse interface is confirmed. (14 refs).

  14. Sound absorption study of raw and expanded particulate vermiculites

    Science.gov (United States)

    Vašina, Martin; Plachá, Daniela; Mikeska, Marcel; Hružík, Lumír; Martynková, Gražyna Simha

    2016-12-01

    Expanded and raw vermiculite minerals were studied for their ability to absorb sound. Phase and structural characterization of the investigated vermiculites was found similar for both types, while morphology and surface properties vary. Sound waves reflect in wedge-like structure and get minimized, and later are absorbed totally. We found that thanks to porous character of expanded vermiculite the principle of absorption of sound into layered vermiculite morphology is analogous to principle of sound minimization in "anechoic chambers." It was found in this study that the best sound damping properties of the investigated vermiculites were in general obtained at higher powder bed heights and higher excitation frequencies.

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

    Energy Technology Data Exchange (ETDEWEB)

    Willey, Trevor M. [Univ. of California, Davis, CA (United States)

    2004-04-01

    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

  16. Study on Absorption Signal Interference of Gas Concentration Measurement Using Laser Absorption Spectroscopy

    Directory of Open Access Journals (Sweden)

    Maeng Saerom

    2016-01-01

    Full Text Available In order to optimize the combustion condition of the combustion system, it is important to know the information of the physical properties which vary during combustion. Gas concentration and temperature are the major target properties but it is difficult to measure exactly at combustion system. In this paper, a distributed feedback diode laser which wavelength is tunable in accordance with a function generator’s output wave is applied to realize the laser absorption spectroscopy measurement. A concentration measuring test for 99% CO2 gas was performed as basic experiment and major experiments were conducted on separation of interfered absorption signals at CO2 and CO mixed condition.

  17. Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

    Science.gov (United States)

    Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

    2015-11-01

    The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.

  18. 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.

  19. 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)

  20. 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

    Energy Technology Data Exchange (ETDEWEB)

    Grehn, M., E-mail: grehn@physik.tu-berlin.de [Technische Universität Berlin, Institut für Optik und Atomare Physik, Straße des 17. Juni 135, 10623 Berlin (Germany); Seuthe, T. [Fraunhofer-Institut für Keramische Technologien und Systeme (IKTS), Winterbergstraße 28, 01277 Dresden (Germany); Reinhardt, F. [Physikalisch-Technische Bundesanstalt (PTB), Albert-Einstein-Straße 15, 12489 Berlin (Germany); Höfner, M.; Griga, N. [Technische Universität Berlin, Institut für Optik und Atomare Physik, Straße des 17. Juni 135, 10623 Berlin (Germany); Eberstein, M. [Fraunhofer-Institut für Keramische Technologien und Systeme (IKTS), Winterbergstraße 28, 01277 Dresden (Germany); Bonse, J. [BAM Bundesanstalt für Materialforschung und –prüfung, Unter den Eichen 87, 12205 Berlin (Germany)

    2014-05-01

    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.

  1. In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment

    Energy Technology Data Exchange (ETDEWEB)

    Totir, D.; Bae, I.T.; Hu, Y.; Scherson, D.A. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Chemistry; Antonio, M.R. [Argonne National Lab., IL (United States). Chemistry Div.

    1996-12-31

    Electronic and structural properties of materials generated by the reduction and subsequent oxidation of pyrite in a lithium-based solid polymer electrolyte have been examined by in situ fluorescence Fe K-edge X-ray absorption fine structure (XAFS) in a FeS{sub 2}/Li battery environment. The XAFS results obtained are consistent with the formation of metallic iron as one of the products of the full (4-electron) discharge, in agreement with information reported in other laboratories. Extended X-ray absorption fine structure (EXAFS) data reveal that a subsequent 2-electron or 4-electron recharge generates a species with a Fe-S bond distance identical to that of pyrite, d(Fe-S) = 2.259 {angstrom}, with no other clearly detectable interactions due to more distant atoms. Based on the similarities between the metrical parameters and other features in the X-ray absorption near edge structure (XANES), the ferrous sites in these species appear to be tetrahedrally coordinated, as in chalcopyrite (CuFeS{sub 2}), for which d(Fe-S) is 2.257 {angstrom}, and, thus, different than in Li{sub 2} FeS{sub 2}, a material that exhibits longer Fe-S distances.

  2. Study of loop-loop and loop-edge dislocation interactions in bcc iron

    DEFF Research Database (Denmark)

    Osetsky, Y.N.; Bacon, D.J.; Gao, F.

    2000-01-01

    that the evolution of heterogeneities such as dislocation decoration and rafts has serious impacts on the mechanical properties on neutron-irradiated metals. In the present work, atomic-scale computer modelling (ASCM) has been applied to study the mechanisms for the formation of such microstructure in bcc iron....... It is shown that glissile clusters with parallel Burgers vectors interact strongly and can form extended immobile complexes, i.e., rafts. Similar attractive interaction exists between dislocation loops and an edge dislocation. These two mechanisms may be responsible for the formation of extended complexes...... of dislocation loops below the extra half-plane of edge dislocations. The interaction energies between loops and between an edge dislocation and loops has been calculated as a function of distance using ASCM and the results for long-range interactions are in good agreement with the results of isotropic...

  3. 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.

  4. [Advances in studies on absorption, distribution, metabolism of flavonoids].

    Science.gov (United States)

    Lv, Peng; Huang, Xiao-Wu; Lv, Qiu-Jun

    2007-10-01

    Plenty of data and tests suggested that flavonoids have strong physiological and pharmacological activities. In this paper, the absorption, distribution and metabolism of flavonoids in gaster, gut and liver were introduced. The research of absorption, distribution and metabolism on flavonoids will provide theoretical basis for developing new drugs of flavoniods.

  5. 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.

  6. The Fe K-edge X-ray absorption characteristics of La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} prepared by solid state reaction

    Energy Technology Data Exchange (ETDEWEB)

    Haas, O., E-mail: otto.haas@bluewin.ch [Energy and Material Research Consulting, Vigolo del Maglio, CH-6648 Minusio, TI (Switzerland); Vogt, U.F.; Soltmann, C.; Braun, A. [Empa, Swiss Federal Laboratories for Materials Testing and Research, Laboratory for High Performance Ceramics, CH-8600 Duebendorf (Switzerland); Yoon, W.-S.; Yang, X.Q. [Brookhaven National Laboratory, Chemistry Department, Upton, NY 11973 (United States); Graule, T. [Empa, Swiss Federal Laboratories for Materials Testing and Research, Laboratory for High Performance Ceramics, CH-8600 Duebendorf (Switzerland)

    2009-06-03

    Perovskites of the composition La{sub 1-x}Sr{sub x}FeO{sub 3-{delta}} (x = 0.0, 0.1, 0.5, 0.9, 1.0) were prepared by the conventional solid state reaction route. The single phase behaviour was assessed by XRD analysis, the electronic properties were investigated by Fe K-edge X-ray absorption spectroscopy. The work is focused on the valence state of iron and the oxygen vacancies of the perovskites investigated. The XRD measurements revealed that the solid state reaction yields cubic perovskites for x = 1, 0.9, rhombohedral perovskites for x = 0.5, and orthorhombic perovskites for x = 0, 0.1. The X-ray absorption data are discussed in detail with respect to Fe K-edge shift, white-line intensity, pre-edge features, and the EXAFS data. The first peak in the Fourier transform of the Chi x k{sup 3} and Chi x k{sup 2} functions was simulated for a detailed analysis of scattering contributions from the first oxygen shell to evaluate the Fe-O bond length. The substitution of lanthanum by strontium leads to a corresponding increase of the iron valence state and thus to the formation of the Jahn-Teller Fe{sup 4+} ion. This is causing disorder in the first coordination shell and thus an increase of the Debye-Waller factor with increasing x. The Fe-O bond length obtained from XRD and especially from X-ray absorption data are consistent with {delta}-values close to zero.

  7. Mechanistic study of inhibition of levofloxacin absorption by aluminum hydroxide.

    Science.gov (United States)

    Tanaka, M; Kurata, T; Fujisawa, C; Ohshima, Y; Aoki, H; Okazaki, O; Hakusui, H

    1993-01-01

    The mechanisms of reduction in absorption of levofloxacin (LVFX) by coadministration of aluminum hydroxide were studied. The partition coefficient of LVFX (0.1 mM) between chloroform and phosphate buffer (pH 5.0) was reduced by 60 to 70% with the addition of metal ions such as Cu2+, Al3+, and Fe2+ (0.8 mM), which indicated the formation of LVFX-metal ion chelates. However, there was no significant difference in absorption from rat intestine between the synthetic LVFX-Al3+ (1:1) chelate (6.75 mM) and LVFX (6.75 mM) in an in situ recirculation experiment. On the other hand, Al(NO3)3 (1.5 mM) significantly inhibited the absorption of LVFX (1.5 mM) by 20% of the control in the in situ ligated loop experiment, in which partial precipitation of aluminum hydroxide was observed in the dosing solution. Data for adsorption of LVFX and ofloxacin (OFLX) from aqueous solution by aluminum hydroxide were shown to fit Langmuir plots, and the adsorptive capacities (rmax) and the K values were 7.0 mg/g and 1.77 x 10(4) M-1 for LVFX and 7.4 mg/g and 1.42 x 10(4) M-1 for OFLX, respectively. The rate of adsorption of several quinolones (50 microM) onto aluminum hydroxide (2.5 mg/ml) followed the order norfloxacin (NFLX) (72.0%) > enoxacin (ENX) (61.0%) > OFLX (47.2%) approximately LVFX (48.1%). The elution rate of adsorbed quinolones with water followed the rank order LVFX (17.9%) approximately OFLX (20.9%) approximately ENX (18.3%) > NFLX (11.9%). These results strongly suggest that adsorption of quinolones by aluminum hydroxide reprecipitated in the small intestine would play an important role in the reduced bioavailability of quinolones after coadministration with aluminum-containing antacids. Images PMID:8257141

  8. X-ray absorption spectroscopy study of granular Fe / Si{sub 3}N{sub 4} systems

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez-Villacorta, F; Castro, G R [SpLine-Spanish CRG beamline at the European Synchrotron Radiation Facility, BP-220 38043 Grenoble Cedex (France) (France); Prieto, C, E-mail: jimenezv@esrf.f [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas. Cantoblanco, 28049 - Madrid (Spain)

    2009-11-15

    [Fe (t{sup Fe}) / Si{sub 3}N{sub 4} (3 nm)] multilayers were prepared by sequential magnetron sputtering. The Fe layer thickness has been varied for every sample. Magnetic properties show a gradual evolution from a ferromagnetic state for samples with larger metal thickness to a granular behaviour for the samples with the smallest Fe layer thickness. Microstructural features such as average thickness and granularity, as well as the local order around Fe atoms, were studied by x-ray reflectometry and x-ray absorption spectroscopy, respectively. X-ray reflectometry suggests that the formation of discontinuous metal-insulator multilayers is produced at t{sup Fe} {<=} 1.3 nm. Extended x-ray absorption fine structure (EXAFS) analysis shows a reduction, of the Fe-Fe coordination shell as the metal layer thickness decreases. Moreover, a new phase emerges, and it is visible at the samples with t{sup Fe} {<=} 1.3 nm. This coordination shell is attributed to the formation of Fe-N bonds likely placed at the interface regions. X-ray absorption near edge spectroscopy (XANES) at the Fe K-edge shows as well the evolution from the metallic spectrum to a combined contribution of 2 phases as the metal layer thickness decreases. XANES calculations performed within the real-space multiple-scattering formalism of two nanometric phases for metal bcc Fe and tetrahedral FeN in zinc-blende structure provide a successful explanation of the XANES spectral evolution. The appearance of a new phase linked to the interface regions obtained by X-ray absorption analysis suggests the granular morphology of samples with t{sup Fe} {<=} 1.3 nm.

  9. Heterogeneous mixed valence in YbPd sub 3 S sub 4 : evidence from sup 1 sup 7 sup 0 Yb Moessbauer and x-ray L sub I sub I sub I -edge absorption measurements

    CERN Document Server

    Bonville, P; Alleno, E; Takahashi, F; Matsuoka, E; Ishikawa, M

    2003-01-01

    The intermetallic bronze YbPd sub 3 S sub 4 is shown to be a heterogeneous mixed-valence system, by means of sup 1 sup 7 sup 0 Yb Moessbauer spectroscopy and x-ray L sub I sub I sub I -edge absorption and magnetic measurements. Two valence states coexist in this compound: Yb sup 3 sup + and close-to-divalent Yb. The trivalent fraction (about 50%) undergoes a transition to magnetic ordering at about 2 K, with the GAMMA sub 7 doublet as the ground crystal field state. The possibility of charge (or valence) ordering is discussed. (letter to the editor)

  10. Structural relaxations around Ti, Cr and Fe impurities in {alpha}-Al{sub 2}O{sub 3} probed by x-ray absorption near-edge structure combined with first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Gaudry, Emilie [Laboratoire de Mineralogie-Cristallographie, UMR CNRS 7590, Universite Pierre et Marie Curie, case 115, 4 place Jussieu, F-75252 Paris Cedex 05 (France); Cabaret, Delphine [Laboratoire de Mineralogie-Cristallographie, UMR CNRS 7590, Universite Pierre et Marie Curie, case 115, 4 place Jussieu, F-75252 Paris Cedex 05 (France); Sainctavit, Philippe [Laboratoire de Mineralogie-Cristallographie, UMR CNRS 7590, Universite Pierre et Marie Curie, case 115, 4 place Jussieu, F-75252 Paris Cedex 05 (France); Brouder, Christian [Laboratoire de Mineralogie-Cristallographie, UMR CNRS 7590, Universite Pierre et Marie Curie, case 115, 4 place Jussieu, F-75252 Paris Cedex 05 (France); Mauri, Francesco [Laboratoire de Mineralogie-Cristallographie, UMR CNRS 7590, Universite Pierre et Marie Curie, case 115, 4 place Jussieu, F-75252 Paris Cedex 05 (France); Goulon, Jose [European Synchrotron Radiation Facility BP 220, F-38043 Grenoble Cedex (France); Rogalev, Andrei [European Synchrotron Radiation Facility BP 220, F-38043 Grenoble Cedex (France)

    2005-09-14

    We determine the structural relaxations around paramagnetic impurities (Ti, Cr, Fe) in corundum ({alpha}-Al{sub 2}O{sub 3}), by combining x-ray absorption near-edge structure (XANES) experiments and ab initio calculations. The structural relaxations are found to be very local. We then show that XANES is sensitive to small variations in interatomic distances within the coordination shell of the absorbing atom. The experiments were carried out on single crystals of ruby and sapphires. Linear dichroic signals are essential to characterize the geometry of the impurity site. The calculations were performed within a self-consistent 'non-muffin-tin' framework, that uses pseudopotentials, a plane-wave basis set, and the continued fraction for the absorption cross section.

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

    Energy Technology Data Exchange (ETDEWEB)

    Goldade, A.V.; Bhushan, Bharat E-mail: bhushan.2@osu.edu

    2004-05-01

    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.

  12. 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.

  13. 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.

  14. Intestinal absorption of aloin, aloe-emodin, and aloesin; A comparative study using two in vitro absorption models.

    Science.gov (United States)

    Park, Mi-Young; Kwon, Hoon-Jeong; Sung, Mi-Kyung

    2009-01-01

    Aloe products are one of the top selling health-functional foods in Korea, however the adequate level of intake to achieve desirable effects are not well understood. The objective of this study was to determine the intestinal uptake and metabolism of physiologically active aloe components using in vitro intestinal absorption model. The Caco-2 cell monolayer and the everted gut sac were incubated with 5-50 microM of aloin, aloe-emodin, and aloesin. The basolateral appearance of test compounds and their glucuronosyl or sulfated forms were quantified using HPLC. The % absorption of aloin, aloe-emodin, and aloesin was ranged from 5.51% to 6.60%, 6.60% to 11.32%, and 7.61% to 13.64%, respectively. Up to 18.15%, 18.18%, and 38.86% of aloin, aloe-emodin, and aloesin, respectively, was absorbed as glucuronidated or sulfated form. These results suggest that a significant amount is transformed during absorption. The absorption rate of test compounds except aloesin was similar in two models; more aloesin was absorbed in the everted gut sac than in the Caco-2 monolayer. These results provide information to establish adequate intake level of aloe supplements to maintain effective plasma level.

  15. Consistency Study of Enhanced Shortwave Cloud Absorption Using GEBA Data

    Science.gov (United States)

    Zhang, Ming-Hua; Chou, Ming-Dah (Technical Monitor)

    2001-01-01

    Under the support of this project, we have obtained the following results:(1) Shortwave radiative fluxes in current atmospheric general circulation models (GCMs) cannot simultaneously match Earth Radiation Budget Experiment (ERBE) at the top of the atmosphere (TOA) and Global Energy Balance Archive (GEBA) at the surface. This inconsistency of model results with observation is a result of insufficient absorption of solar radiation in the model atmosphere; (2) Current state-of-the art global datasets describing the energy balance of the atmosphere cannot close the atmospheric energy budget if algorithm-derived surface shortwave radiative fluxes are used. The deficient amount of 20 W/sq m is similar to the recently reported enhanced absorption of solar radiation in the atmosphere; (3) We have clarified several sampling problems in the analysis of the collocated monthly GEBA/ERBE data sets which are germane to the interpretation of the clear-sky absorption of shortwave radiation in the atmosphere. As a result, the collocated monthly ERBE/GEBA data can be effectively used to infer enhanced absorption of atmospheric radiation in measurements relative to models, but it cannot be unambiguously used to answer whether the enhanced absorption is in clouds or in clear sky. Other field data are needed to resolve this issue; and (4) Analysis of aircraft measurements during Atmospheric Radiation Measurement Enhanced Shortwave Experiment (ARESE) field campaign supports the enhanced absorption of solar radiation in clouds.

  16. Bandgap and optical absorption edge of GaAs{sub 1−x}Bi{sub x} alloys with 0 < x < 17.8%

    Energy Technology Data Exchange (ETDEWEB)

    Masnadi-Shirazi, M., E-mail: mostafam@ece.ubc.ca [Department of Electrical and Computer Engineering, University of British Columbia, Vancouver, British Columbia V6T 1Z4 (Canada); Department of Electrical and Computer Engineering, University of Victoria, Victoria, British Columbia V8W 2Y2 (Canada); Lewis, R. B. [Department of Electrical and Computer Engineering, University of Victoria, Victoria, British Columbia V8W 2Y2 (Canada); Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada); Bahrami-Yekta, V.; Tiedje, T. [Department of Electrical and Computer Engineering, University of Victoria, Victoria, British Columbia V8W 2Y2 (Canada); Chicoine, M. [Département de Physique, Université de Montréal, Montréal, Quebec H3C 3J7 (Canada); Servati, P. [Department of Electrical and Computer Engineering, University of British Columbia, Vancouver, British Columbia V6T 1Z4 (Canada)

    2014-12-14

    The compositional dependence of the fundamental bandgap of pseudomorphic GaAs{sub 1−x}Bi{sub x} layers on GaAs substrates is studied at room temperature by optical transmission and photoluminescence spectroscopies. All GaAs{sub 1−x}Bi{sub x} films (0 ≤ x ≤ 17.8%) show direct optical bandgaps, which decrease with increasing Bi content, closely following density functional theory predictions. The smallest measured bandgap is 0.52 eV (∼2.4 μm) at 17.8% Bi. Extrapolating a fit to the data, the GaAs{sub 1−x}Bi{sub x} bandgap is predicted to reach 0 eV at 35% Bi. Below the GaAs{sub 1−x}Bi{sub x} bandgap, exponential absorption band tails are observed with Urbach energies 3–6 times larger than that of bulk GaAs. The Urbach parameter increases with Bi content up to 5.5% Bi, and remains constant at higher concentrations. The lattice constant and Bi content of GaAs{sub 1−x}Bi{sub x} layers (0 < x ≤ 19.4%) are studied using high resolution x-ray diffraction and Rutherford backscattering spectroscopy. The relaxed lattice constant of hypothetical zincblende GaBi is estimated to be 6.33 ± 0.05 Å, from extrapolation of the Rutherford backscattering spectrometry and x-ray diffraction data.

  17. An x-ray absorption spectroscopic study of the electronic structure and bonding of rare-earth orthoferrites

    Science.gov (United States)

    Hayes, J. R.; Grosvenor, A. P.

    2011-11-01

    Rare-earth orthoferrites, REFeO3 (RE=rare earth; Y), are tremendously adaptable compounds that are being investigated for use in a wide variety of applications including gas sensors, vehicle catalytic converters, and solid-oxide fuel cells. They also exhibit interesting magnetic properties such as high-temperature antiferromagnetism, making them useful for data storage applications. The compounds adopt a distorted perovskite-type structure where the tilt angle of the octahedra increases (Fe-O-Fe bond angle decreases) as the size of the rare-earth atom decreases. Despite intensive study of the physical properties of these compounds, very few studies have investigated how the bonding and electronic structure of these systems change with substitution of the RE. X-ray absorption near-edge spectroscopy (XANES) is a technique well-suited for such a study, and, in view of this, Fe L-, Fe K- and O K-edge spectra from a series of REFeO3 compounds (RE=La, Pr, Nd, Sm, Eu, Gd, Ho, Yb, Y) have been collected, and are presented here. Fe L-edge spectra show that Fe is octahedrally coordinated and that the Fe-centered octahedra do not appear to distort with changes in the identity of the RE. The Fe K-edge spectra contain an intersite hybrid peak, which is an ill-studied feature that is attributed to non-local transitions of 1s electrons to 3d states on the next-nearest-neighbor atom that are hybridized with 4p states on the absorbing atom through O 2p states. In this study, it is shown that the intensity of this feature is strongly dependent on the Fe-O-Fe bond angle; the lower the Fe-O-Fe bond angle, the less intense the intersite hybrid peak is.

  18. Characterization of local chemistry and disorder in synthetic and natural {alpha}-Al{sub 2}O{sub 3} materials by X-ray absorption near edge structure spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mottana, A. [Rome, Univ. `Roma Tre` (Italy). Dip. di Scienze Geologiche]|[INFN, Laboratori Nazionali di Frascati, Rome (Italy); Murata, T. [Kyoto, Univ. of Education (Japan). Dept. of Physics; Marcelli, A. [INFN, Laboratori Nazionali di Frascati, Rome (Italy)] [and others

    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 {alpha}-Al{sub 2}O{sub 3} ({alpha}-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 `{beta}-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{approx}3 wt.% as oxide) of the absorber by dilute other atoms, at least under favorable conditions as those occurring in this system are.

  19. Absorption enhancement, mechanistic and toxicity studies of medium chain fatty acids, cyclodextrins and bile salts as peroral absorption enhancers.

    Science.gov (United States)

    Sharma, Pradeep; Varma, Manthena V S; Chawla, Harmander P S; Panchagnula, Ramesh

    2005-01-01

    The objective of the present investigation was to evaluate an oral 'drug delivery' approach, which involves co-administration of absorption enhancers (AEs). The representative low permeable hydrophilic (biopharmaceutic classification system (BCS) Class III) drugs used in the study comprised of cefotaxime sodium and ceftazidime pentahydrate, whereas low permeable lipophilic (BCS Class IV) drugs include cyclosporin A and lovastatin. AEs from three different chemical classes, namely, medium chain fatty acids (sodium caprylate and caprate), cyclodextrins (beta-cyclodextrin, hydroxypropyl beta-cyclodextrin) and bile salts (sodium cholate and deoxycholate) were evaluated for absorption enhancement efficacy, mechanism of action and toxicity using in vitro everted intestinal sac model. These AEs were found to enhance intestinal permeability of drugs from 2- to 27-fold. Light microscopy studies of intestinal sac incubated with AEs for 120 min revealed morphological changes in absorptive mucosa and rank order of toxicity were cyclodextrins>bile salts congruent with medium chain fatty acids. Fluorescence polarization studies indicated that brush bordered membrane vesicles labeled with lipophilic (DPH, 12AS) and hydrophilic dyes (ANS), when treated with AEs exhibited concentration and time dependent decrease in fluorescence polarization. Total protein released in presence of AEs was more than control but considerably less than EDTA (0.58% w/v), which is known to cause toxic release of proteins from cell. Overall, AEs were found to significantly enhance drug permeability by decreasing lipid membrane fluidity and/or interacting with hydrophilic domains of membrane, and has the potential to improve oral delivery.

  20. Study on moisture absorption and sweat discharge of honeycomb polyester fiber

    Science.gov (United States)

    Feng, Aifen; Zhang, Yongjiu

    2015-07-01

    The moisture absorption and liberation properties of honeycomb polyester fiber were studied in order to understand its moisture absorption and sweat discharge. Through testing moisture absorption and liberation regains of honeycomb polyester fiber and normal polyester fiber in standard atmospheric conditions, their moisture absorption and liberation curves were depicted, and the regression equations of moisture regains to time during their reaching the balance of moisture absorption and moisture liberation were obtained according to the curves. Their moisture absorption and liberation rate curves were analyzed and the regression equations of the rates to time were obtained. The results shows that the moisture regain of honeycomb polyester fiber is much bigger than the normal polyester fiber's, and the initial moisture absorption and moisture liberation rates of the former are much higher than the latter's, so that the moisture absorbance and sweat discharge of honeycomb polyester fiber are excellent.

  1. Study on the coordination structure of pt sorbed on bacterial cells using x-ray absorption fine structure spectroscopy.

    Directory of Open Access Journals (Sweden)

    Kazuya Tanaka

    Full Text Available Biosorption has been intensively investigated as a promising technology for the recovery of precious metals from solution. However, the detailed mechanism responsible for the biosorption of Pt on a biomass is not fully understood because of a lack of spectroscopic studies. We applied X-ray absorption fine structure spectroscopy to elucidate the coordination structure of Pt sorbed on bacterial cells. We examined the sorption of Pt(II and Pt(IV species on bacterial cells of Bacillus subtilis and Shewanella putrefaciens in NaCl solutions. X-ray absorption near-edge structure and extended X-ray absorption fine structure (EXAFS of Pt-sorbed bacteria suggested that Pt(IV was reduced to Pt(II on the cell's surface, even in the absence of an organic material as an exogenous electron donor. EXAFS spectra demonstrated that Pt sorbed on bacterial cells has a fourfold coordination of chlorine ions, similar to PtCl42-, which indicated that sorption on the protonated amine groups of the bacterial cells. This work clearly demonstrated the coordination structure of Pt sorbed on bacterial cells. The findings of this study will contribute to the understanding of Pt biosorption on biomass, and facilitate the development of recovery methods for rare metals using biosorbent materials.

  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. 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…

  4. Gas absorption studies in a butterfly valve scrubber

    Energy Technology Data Exchange (ETDEWEB)

    Beg, S.A.; Taheri, M.

    1974-09-01

    Gas absorption and pressure drop in a wetted butterfly valve constituting a novel scrubber system are investigated. The exceptional suitability of the butterfly device is demonstrated by its flexibility to adjust to large variations in both gas and liquid flow rates. (1 diagram, 5 graphs, 19 references)

  5. Study of coupled heat and mass transfer during absorption of ...

    Indian Academy of Sciences (India)

    Abstract. A two-dimensional numerical analysis of coupled heat and mass trans- fer processes in a cylindrical metal hydride reactor containing MmNi4·6Al0·4 is presented. To understand the hydrogen absorption mechanism the governing equa- tions for energy, momentum and mass conservation and reaction kinetic ...

  6. A time-dependent DFT study of the absorption and fluorescence properties of graphene quantum dots.

    Science.gov (United States)

    Zhao, Meilian; Yang, Feng; Xue, Ying; Xiao, Dan; Guo, Yong

    2014-04-04

    Absorption and fluorescence spectra of graphene quantum dots (GQDs) have been computed by using time-dependent density functional theory (TDDFT). Different functionals, including PBE, TPSSh, B3LYP, PBE0, CAM-B3LYP, and LC-ωPBE, have been tested and B3LYP/6-31G(d) has been proven to be the most accurate method for our work. The bulk solvent effects of toluene and dichloromethane have been assessed by using the polarizable continuum model (PCM). The absorption wavelength of GQDs in solvents is red-shifted compared with that in the gas phase. Edge functionalization effects analysis shows that a small number of substituted groups on GQDs induce a small redshift whereas a large redshift occurs when the edges of GQDs are all decorated. Little difference in the fluorescent emission was observed in solvents and in the gas phase. Molecular orbital transition and transition density matrix analysis have been performed. The electronic transition mainly occurs in the middle part of the structure of C132. The strong absorption of C132 corresponds to a S0 →S3 transition and the fluorescence emission is ascribed to a S1 →S0 transition, which indicates that Kasha's rule is obeyed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. On the evolution of a retracting straight liquid sheet edge: experimental study

    Science.gov (United States)

    Krechetnikov, Rouslan; Mayer, Hans C.

    2011-11-01

    The evolution of the initially straight edge of a retracting liquid sheet is still a subject of debate. Theoretical and numerical studies have provided conflicting results, and experimental efforts have, to our knowledge, never been attempted owing to the difficulty in achieving a uniform edge. However, recent advances in experimental techniques, specifically those presented in detail in Poster #72 of APS-DFD 2010 (H.C. Mayer and R. Krechetnikov), have allowed us to uniformly detach a soap film from a straight edge using an impulsively heated wire frame. The detachment, retraction, and breakup of soap films (h ~ 10 μm) is analyzed using high speed photography. Owing to the Plateau border that connects the uniform film to the wire frames (wire diameter 25-250 μm) - a feature not present when rupturing films from a point - the early stages of retraction are dominated by a relatively large rim mass. We explore the phenomena at very early times (t films which may add complexity to the problem of determining what instability mechanism(s) are responsible for their breakup.

  8. 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.

  9. Aerodynamic optimization of the flat-plate leading edge for experimental studies of laminar and transitional boundary layers

    Science.gov (United States)

    Hanson, Ronald E.; Buckley, Howard P.; Lavoie, Philippe

    2012-10-01

    This work is concerned with the design of a leading edge for a flat-plate model used to study laminar and transitional boundary layers. For this study, the flow over the complete boundary-layer model, including leading edge, flat section, and trailing-edge flap, is modeled. The effect of important geometrical features of the leading edge on the resulting pressure distribution, starting from the well-known symmetric modified super ellipse, is investigated. A minimal pressure gradient on the measurement side of the plate is achieved using an asymmetrical configuration of modified super ellipses, with a thickness ratio of 7/24. An aerodynamic shape optimization is performed to obtain a novel leading edge shape that greatly reduces the length of the non-zero pressure gradient region and the adverse pressure gradient region compared to geometries defined by ellipses. Wind tunnel testing is used to validate the numerical solutions.

  10. 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)

  11. In vitro study of soil arsenic release by human gut microbiota and its intestinal absorption by Caco-2 cells.

    Science.gov (United States)

    Yin, Naiyi; Cai, Xiaolin; Du, Huili; Zhang, Zhennan; Li, Zejiao; Chen, Xiaochen; Sun, Guoxin; Cui, Yanshan

    2017-02-01

    Arsenic (As) speciation is essential in assessing health risks from As-contaminated soil. Release of soil-bound arsenic, As transformation by human gut microbiota, and the subsequent intestinal absorption of soil As metabolites were evaluated. A colon microbial community in a dynamic human gut model and the intestinal epithelial cell line Caco-2 were cultured. Arsenic speciation analysis and absorption of different As species were undertaken. In this study, soil As release (3.7-581.2 mg kg-1) was observed in the colon. Arsenic in the colon digests was transformed more quickly than that in the soil solid phase. X-ray absorption near-edge spectroscopy (XANES) analysis showed that 44.2-97.6% of arsenite [As(III)] generated due to arsenate [As(V)] reduction was in the soil solid phase after the colon phase. We observed a high degree of cellular absorption of soil As metabolites, exhibiting that the intestinal absorption of monomethylarsonic acid and As(III) (33.6% and 30.2% resp.) was slightly higher than that of dimethylarsinic acid and As(V) (25.1% and 21.7% resp.). Our findings demonstrate that human gut microbiota can directly release soil-bound arsenic, particularly As-bearing amorphous Fe/Al-oxides. Determining As transformation and intestinal absorption simultaneously will result in an accurate risk assessment of human health with soil As exposures. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Adsorption, intercalation and sensing of helium on yttrium functionalized open edge boron nitride: A first principle DFT and TDDFT study

    Science.gov (United States)

    Taherpour, Avat (Arman); Shahri, Zahra; Rezaei, Omid; Jamshidi, Morteza; Fellowes, Thomas

    2018-01-01

    Open edge BN boron-nitride has a stable graphene-like structure, which could be doped by a range of impurities, so the band gap could be tuned. The optical, electrical, physicochemical properties, NBO and electron density of open edge BN that is doped by Yttrium was evaluated using DFT method as a sensor for He gas. Here, was applied HSE1PBE method exchange correlation and LANL2DZ. The density of states and natural bond orbital analysis calculated have depicted that the band gap of BN-Y flake after sensing He gas and it has shown change from 1.66 → 2.42 eV. The UV-Vis absorption in λmax area showed a significant red-shift that it is an appropriate parameter to recognize He molecule.

  13. Edge cracks in nickel and aluminium single crystals: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Chandra, Sagar, E-mail: sagarc@barc.gov.in; Chavan, V. M.; Patel, R. J. [Refueling Technology Division, Bhabha Atomic Research Centre, Mumbai-400085 (India); Samal, M. K. [Reactor Safety Division, Bhabha Atomic Research Centre, Mumbai-400085 (India)

    2016-05-23

    A molecular dynamics study of edge cracks in Ni and Al single crystals under mode-I loading conditions is presented. Simulations are performed using embedded-atom method potentials for Ni and Al at a temperature of 0.5 K. The results reveal that Ni and Al show different fracture mechanisms. Overall failure behavior of Ni is brittle, while fracture in Al proceeds through void nucleation and coalescence with a zig-zag pattern of crack growth. The qualitative nature of results is discussed in the context of vacancy-formation energies and surface energies of the two FCC metals.

  14. In Vitro Studies on the Absorption and Interactions of Zinc, Copper ...

    African Journals Online (AJOL)

    Therefore, the present study was designed to throw more light on these two phenomena. Objective: To examine the absorption and interactions of zinc, copper, manganese and iron in rat intestine. Method: Everted duodenal and ileal gut sacs were prepared from adult male Wistar albino rats in the post absorptive state.

  15. Studies of edge diffraction and scattering: Applications to room acoustics and auralization

    Science.gov (United States)

    Torres, Rendell Reyes

    This thesis examines ways of including edge diffraction and surface scattering to improve room acoustics auralization, i.e., the binaural replication of an acoustic environment. The approach combines numerical and psychoacoustical studies to discern what level of computational accuracy is necessary to obtain perceptually adequate replication. In Paper I, a psychoacoustical investigation is performed on the ear's sensitivity to frequency-dependent changes in Lambert-modeled surface scattering. Using auralizations of a simulated concert hall, one finds that the frequency-dependent changes can be clearly audible over a wide frequency region and that its particular quality depends on the input signal. Frequency-dependent scattering, therefore, should be modeled, although not all auralization programs currently do this. Paper II delves into accurate modeling of edge diffraction. Using a validated time-domain model, computations are extended to include reflection/diffraction combinations, which significantly improve agreement with scale-model measurements of a stage house. Additionally, listening tests show that coloration changes due to edge diffraction are audible even for the conservative test geometry, but that second- order diffraction to non-shadowed receivers can often be neglected. Finally, a practical implementation for binaural simulation is proposed, completing a first major step toward computing edge diffraction for more accurate auralization. In Paper III, scattering is measured from various reflector arrays to allow study of physical diffraction phenomena and to gain new perspectives on modeling. This investigation also reveals general trends that can be of practical use in room acoustics when the wavelength is comparable to or greater than the individual panels. Results demonstrate (1)how the scattering from the array spreads over a considerably greater spatial extent than the ``specular reflection zone'' would predict, (2)how multi-element arrays

  16. Direct numerical simulation of flow separation behind a rounded leading edge: Study of curvature effects

    Energy Technology Data Exchange (ETDEWEB)

    Lamballais, Eric, E-mail: lamballais@univ-poitiers.f [Institute PPRIME, Department of Fluid Flow, Heat Transfer and Combustion, Universite de Poitiers, ENSMA, CNRS, Teleport 2 - Bd. Marie et Pierre Curie B.P. 30179, 86962 Futuroscope Chasseneuil Cedex (France); Silvestrini, Jorge, E-mail: jorgehs@pucrs.b [Faculdade de Engenharia, Pontificia Universidade Catolica do Rio Grande do Sul, Av. Ipiranga 6681, 90619-900 Porto Alegre - RS (Brazil); Laizet, Sylvain, E-mail: s.laizet@imperial.ac.u [Institute PPRIME, Department of Fluid Flow, Heat Transfer and Combustion, Universite de Poitiers, ENSMA, CNRS, Teleport 2 - Bd. Marie et Pierre Curie B.P. 30179, 86962 Futuroscope Chasseneuil Cedex (France); Department of Aeronautics, Institute for Mathematical Sciences, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom)

    2010-06-15

    The separation bubble formed over a 2D half-body is studied by direct numerical simulation. The aim of this work is to consider the physical influence of the shape of the body that can be viewed as a thick half-plate with a front edge more or less rounded. The present generic body geometry is defined with a unique parameter {eta}=R/H corresponding to the ratio of the curvature radius R of the front edge over the body height H. In this paper, 18 calculations are presented depending on: (i) the value of {eta} with {eta}=0.125,0.25,0.5,1; (ii) the 2D/3D nature of the computation; (iii) the inflow perturbations used to mimic residual turbulence in the free stream velocity U{sub {infinity}.} Only one Reynolds number Re=U{sub {infinity}H}/{nu} is used for every simulation, allowing us to focus on the curvature effects over the separation bubble dynamics. The value of the Reynolds number (Re=2000) combined with the resolution demand of the front edge (close to a sharp corner for the highest curvature case) requires to simulate the flow using up to 876 million mesh nodes. The curvature effects are found to deeply influence the separation bubble dynamics, with a significant expansion of the separated region size predicted by 3D computations. This expansion is driven by the separation angle rise combined with the reinforcement of turbulence levels as the curvature is increased. These trends are associated with a change of bubble sensitivity with respect to upstream/downstream perturbations that can be interpreted in terms of convective/absolute stability.

  17. 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.

  18. Photon counting x-ray imaging with K-edge filtered x-rays: A simulation study.

    Science.gov (United States)

    Atak, Haluk; Shikhaliev, Polad M

    2016-03-01

    In photon counting (PC) x-ray imaging and computed tomography (CT), the broad x-ray spectrum can be split into two parts using an x-ray filter with appropriate K-edge energy, which can improve material decomposition. Recent experimental study has demonstrated substantial improvement in material decomposition with PC CT when K-edge filtered x-rays were used. The purpose of the current work was to conduct further investigations of the K-edge filtration method using comprehensive simulation studies. The study was performed in the following aspects: (1) optimization of the K-edge filter for a particular imaging configuration, (2) effects of the K-edge filter parameters on material decomposition, (3) trade-off between the energy bin separation, tube load, and beam quality with K-edge filter, (4) image quality of general (unsubtracted) images when a K-edge filter is used to improve dual energy (DE) subtracted images, and (5) improvements with K-edge filtered x-rays when PC detector has limited energy resolution. The PC x-ray images of soft tissue phantoms with 15 and 30 cm thicknesses including iodine, CaCO3, and soft tissue contrast materials, were simulated. The signal to noise ratio (SNR) of the contrast elements was determined in general and material-decomposed images using K-edge filters with different atomic numbers and thicknesses. The effect of the filter atomic number and filter thickness on energy separation factor and SNR was determined. The boundary conditions for the tube load and halfvalue layer were determined when the K-edge filters are used. The material-decomposed images were also simulated using PC detector with limited energy resolution, and improvements with K-edge filtered x-rays were quantified. The K-edge filters with atomic numbers from 56 to 71 and K-edge energies 37.4-63.4 keV, respectively, can be used for tube voltages from 60 to 150 kVp, respectively. For a particular tube voltage of 120 kVp, the Gd and Ho were the optimal filter materials

  19. Raman and Infrared Absorption Study of Indigoid-based Pigments

    Science.gov (United States)

    Manciu, Felicia; Durrer, William; Reza, Layra; Ramirez, Alejandra; Chianelli, Russell

    2009-04-01

    A fascinating aspect of Maya pigments is that despite the environmentally harsh humidity and high temperatures they resist fading and they have unprecedented stability. In this investigation, we address the question of how organic dye binds to inorganic palygorskite to form pigments. Our analysis by Raman and infrared absorption spectroscopies proves that different processes are taking place for the indigo-palygorskite system as compared with the thioindigo-palygorskite complex. While partial elimination of the selection rules for the centrosymmetric indigo and disappearance of the indigo N-H bonding, with conversion to dehydroindigo, is observed for the first compound, the latter shows no evident structure modification. The interaction between indigo and palygorskite is likely through oxygen and nitrogen. Only oxygen plays this role for the thioindigo-palygorskite complex.

  20. EPR and optical absorption spectral studies on sphalerite mineral

    Science.gov (United States)

    Seshamaheswaramma, K.; Reddy, G. Udayabhaskara; Reddy, A. Varada; Lakshmi Reddy, S.; Frost, R. L.; Endo, Tamio

    2011-10-01

    The mineral sphalerite (Zn,Fe)S has been characterized by a combination of X-ray diffraction, EPR and NIR spectroscopy. The optical absorption spectrum of mineral sphalerite is due to an iron impurity only, which is in a distorted octahedral environment. The g = 2.2 is attributed to iron and g and A value observed in the spectrum 1.999 and 6.0 mT are assigned to Mn(II) impurity in the mineral. These results indicate that iron and Mn(II) impurity have entered the lattice by substitution. The EPR results confirm the presence of manganese in a distorted octahedral environment. It is evident from the chemical analysis that iron is present in higher concentrations. NIR results are due to the presence of water and sulphide fundamentals which also support the formula of the mineral. No sulphate in the sphalerite mineral was observed.

  1. 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.

  2. Hydrodynamic and absorption studies of carbon dioxide absorption in aqueous amide solutions using a bubble column contactor

    Directory of Open Access Journals (Sweden)

    A. Blanco

    2013-12-01

    Full Text Available The present work analyses the carbon dioxide absorption process in aqueous n-alkylpyrrolidones solutions, from the point of view of hydrodynamic studies as well as mass transfer, using a bubble column contactor. An analysis of the influence of solute concentration and gas flow-rate is complemented by the study of the effect caused by the alkyl group on the hydrodynamics and mass transfer. The presence of this kind of substance produces a decrease in mass transfer rate, but on the basis of interfacial area and mass transfer coefficient values, ethyl-2-pyrrolidine (EP shows suitable characteristics to replace methyl-2-pyrrolidine (MP in gas separation processes due to its lower safety problems.

  3. Studies of impact of plasma shaping on edge localized modes with a nonlinear code BOUT + +

    Science.gov (United States)

    Li, G. Q.; Xu, X. Q.; Snyder, P. B.; Turnbull, A. D.; Xia, T. Y.

    2014-10-01

    The plasma shaping has important effects on the edge localized modes (ELMs). In this work, with the 3-field BOUT + + code, we study the impact of the plasma shaping on the ELMs. Three kinds of typical plasma shapes are studied: circular (cbm), elongated (dbm) and shaped with X-point (meudas). Our calculations show that the shaped plasma and the X-point geometry have stabilizing effect on the ELMs. For linear ideal MHD calculation we benchmark BOUT + + results with ELITE and GATO codes. Then we study the role of non-ideal effects such as resistivity on the ELMs for the X-point geometry. Also the nonlinear calculations are carried out to study the impact of plasma shape on the ELM size. Work supported by China National Magnetic Confinement Fusion Science Program under Grant Nos. 2014GB106001 and 2013GB111000. Also performed for USDOE by LLNL under DE-AC52-07NA27344. LLNL-ABS-656997.

  4. 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.

  5. Physiologically Based Oral Absorption Modelling to Study Gut-Level Drug Interactions.

    Science.gov (United States)

    Chung, John; Kesisoglou, Filippos

    2017-08-26

    Physiologically based oral absorption models are in silico tools primarily used to guide formulation development and project the clinical performance of formulation variants. This commentary briefly discusses additional oral absorption model applications, focusing on gut-level drug interactions. Gut-level drug interactions can involve drug degradation, metabolic enzymes, transporters, gastrointestinal motility modulators, acid-reducing agents, and food. The growth in publications reporting physiologically based oral absorption model utilization and successful pharmacokinetic prediction (e.g., after acid-reducing agents or food coadministration) indicate that oral absorption models have achieved a level of maturity within the industry particularly over the past 15 years. Provided appropriate data and model validation, oral absorption modeling/simulation may serve as a surrogate for clinical studies by providing both mechanistic and quantitative understanding of oral delivery considerations on pharmacokinetics. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  6. Theoretical studies in spiral edge-flame propagation and particle hydrodynamics

    Science.gov (United States)

    Urzay, Javier

    Applied mathematics techniques are used in this investigation to gain insight into three different physical processes of current interest in combustion and fluid dynamics. The first problem addresses the propagation of spiral edge flames found in von Karman swirling flows induced in rotating porous-disk burners. In this configuration, a porous disk is spun at a constant angular velocity in an otherwise quiescent oxidizing atmosphere. Gaseous methane is injected through the disk pores and burns in a flat diffusion flame adjacent to the disk. Among other flame patterns experimentally found, a stable, rotating spiral flame is observed for sufficiently large rotation velocities and small fuel flow rates as a result of partial extinction of the underlying diffusion flame. The tip of the spiral can undergo a steady rotation for sufficiently large rotational velocities or small fuel flow rates, whereas a meandering tip in an epicycloidal trajectory is observed for smaller rotational velocities and larger fuel flow rates. A formulation of this problem is presented in the equidiffusional and thermodiffusive limits within the framework of one-step chemistry with large activation energies. Conditions for extinction of the underlying uniform diffusion flame are obtained by using activation energy asymptotics. Edge-flame propagation regimes are obtained by scaling analyses of the conservation equations and exemplified by numerical simulations of nearly straight two-dimensional edge flames near a cold porous wall in a von Karman boundary layer, for which lateral heat losses to the disk induce extinction of the trailing diffusion flame but are relatively unimportant in the front region, consistent with the existence of the cooling tail found in the experiments. The propagation dynamics of a steadily rotating spiral edge is studied in the large-core limit, for which the characteristic Markstein length is much smaller than the distance from the center at which the spiral tip is

  7. 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

  8. Synchrotron X-ray absorption spectroscopy study of local structure transformation behavior in perovskite Ba(Ti,Zr)O{sub 3} system

    Energy Technology Data Exchange (ETDEWEB)

    Bootchanont, Atipong, E-mail: a.bootchanont@gmail.com [School of Physics, Institute of Science, Suranaree University of Technology, COE-NANOTEC-SUT on Advanced Functional Nanomaterials, Nakhon Ratchasima 30000 (Thailand); Jutimoosik, Jaru [School of Physics, Institute of Science, Suranaree University of Technology, COE-NANOTEC-SUT on Advanced Functional Nanomaterials, Nakhon Ratchasima 30000 (Thailand); Chandarak, Sujittra [Department of Materials Engineering, Faculty of Engineering and Architecture, Rajamangala University of Technology Isan, Nakhon Ratchasima 30000 (Thailand); Unruan, Muangjai [Department of Applied Physics, Faculty of Science and Liberal Arts, Rajamangala University of Technology Isan, Nakhon Ratchasima 30000 (Thailand); Kidkhunthod, Pinit; Klysubun, Wantana [Synchrotron Light Research Institute, Nakhon Ratchasima 30000 (Thailand); Rujirawat, Saroj; Yimnirun, Rattikorn [School of Physics, Institute of Science, Suranaree University of Technology, COE-NANOTEC-SUT on Advanced Functional Nanomaterials, Nakhon Ratchasima 30000 (Thailand); Guo, Ruyan; Bhalla, Amar [Department of Electrical and Computer Engineering, College of Engineering, University of Texas at San Antonio, TX 78249 (United States)

    2014-12-15

    Highlights: • Synthesis, global structure was studied by XRD technique. • The local structure of the Ti ions in the Ba(Ti,Zr)O{sub 3} using XAS technique. • EXAFS and XANES analysis showed that Ti-displacement lead to the phase transition. • The results were confirmed by XANES simulation and EXAFS fitting. • This work deals with application of a novel Synchrotron. - Abstract: In this work, the change of the local atomic structure in BaTi{sub 1−x}Zr{sub x}O{sub 3} ceramics was investigated by synchrotron X-ray absorption spectroscopy technique. The X-ray Absorption Near-Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) spectra at the Ti K-edge were measured and compared with simulated spectra. The results show that an increase of Zr content in Ba(Ti,Zr)O{sub 3} lattice structure affected significantly the phase transition behavior and the local structure surrounding the Ti absorbing atom. More importantly, the information on the locally determined structures and its relation to the phase transition characteristic from relaxor ferroelectric to polar clusters in Ba(Ti,Zr)O{sub 3} system were obtained and discussed.

  9. An experimental study of pressures on 60 deg Delta wings with leading edge vortex flaps

    Science.gov (United States)

    Marchman, J. F., III; Terry, J. E.; Donatelli, D. A.

    1983-01-01

    An experimental study was conducted in the Virginia Tech Stability Wind Tunnel to determine surface pressures over a 60 deg sweep delta wing with three vortex flap designs. Extensive pressure data was collected to provide a base data set for comparison with computational design codes and to allow a better understanding of the flow over vortex flaps. The results indicated that vortex flaps can be designed which will contain the leading edge vortex with no spillage onto the wing upper surface. However, the tests also showed that flaps designed without accounting for flap thickness will not be optimum and the result can be oversized flaps, early flap vortex reattachment and a second separation and vortex at the wing/flap hinge line.

  10. Bromide does not bind to the Mn4Ca complex in its S1 state in Cl(-)-depleted and Br(-)-reconstituted oxygen-evolving photosystem II: evidence from X-ray absorption spectroscopy at the Br K-edge.

    Science.gov (United States)

    Haumann, Michael; Barra, Marcos; Loja, Paola; Löscher, Simone; Krivanek, Roland; Grundmeier, Alexander; Andreasson, Lars-Erik; Dau, Holger

    2006-10-31

    Chloride is an important cofactor in photosynthetic water oxidation. It can be replaced by bromide with retention of the oxygen-evolving activity of photosystem II (PSII). Binding of bromide to the Mn(4)Ca complex of PSII in its dark-stable S(1) state was studied by X-ray absorption spectroscopy (XAS) at the Br K-edge in Cl(-)-depleted and Br(-)-substituted PSII membrane particles from spinach. The XAS spectra exclude the presence of metal ions in the first and second coordination spheres of Br(-). EXAFS analysis provided tentative evidence of at least one metal ion, which may be manganese or calcium, at a distance of approximately 5 A to Br(-). The native Cl(-) ion may bind at a similar distance. Accordingly, water oxidation may not require binding of a halide directly to the metal ions of the Mn complex in its S(1) state.

  11. 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

  12. Comparative study of sound absorption coefficient determination using FEM method and experimental tests on Kundt's tube

    Science.gov (United States)

    Deaconu, Marius; Toma, Adina Cristina; Dragasanu, Luminita Ioana; Mihai, Dragos

    2017-06-01

    Sound absorption coefficient is a commonly used parameter to characterize the acoustic properties of sound absorbing materials that plays an important role in noise attenuation. For this study a specific material has been chosen in order to be evaluated experimentally and compared with the simulated results. Both simulation and experimental assessments used to estimate the sound absorption coefficient are based on transfer function method in accordance with standard SR EN JSO 10354-2. Results are obtained for 15, 30, 45 mm material sample thickness in order to assess the relationship between absorption coefficient, thickness and frequency response. Comparative analysis is performed to determine differences given by the two approaches.

  13. A comparative study of the PIFA and printed monopole antenna EM absorption.

    Science.gov (United States)

    Hossain, Md Ikbal; Iqbal Faruque, Mohammad Rashed; Islam, Mohammad Tariqul

    2017-02-01

    This paper represents a comparative study on electromagnetic (EM) absorption in the human head between a printed monopole antenna and a planar inverted-F antenna (PIFA). The specific absorption rate (SAR) values and total absorbed power in the human head phantom are used to evaluate EM absorption for both antennae. Moreover, antenna performances in terms of return loss, radiation efficiency, and gain are also investigated in this study. The finite integration technique (FIT) based on CST Microwave studio and SAM head phantom are used in this study. The antenna performances are measured in an anechoic chamber and the SAR is tested using COMOSAR measurement system. The obtained results indicate that the printed monopole antenna lead to higher EM absorption in the human head as compared to PIFA for both GSM frequencies.

  14. 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.

  15. Subgap Absorption in Conjugated Polymers

    Science.gov (United States)

    Sinclair, M.; Seager, C. H.; McBranch, D.; Heeger, A. J; Baker, G. L.

    1991-01-01

    Along with X{sup (3)}, the magnitude of the optical absorption in the transparent window below the principal absorption edge is an important parameter which will ultimately determine the utility of conjugated polymers in active integrated optical devices. With an absorptance sensitivity of fluorination.

  16. 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.

  17. 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....

  18. Kinetics study of carbon dioxide absorption reaction into the promoted methyldiethanolamine solution

    Science.gov (United States)

    Sitorus, Yasmikha Tiurlan Susanti; Taurina, Hanna Sucita; Altway, Ali; Rahmawati, Yeni; Nurkhamidah, Siti

    2017-05-01

    The absorption of carbon dioxide (CO2) is important in the industrial world. In industries, especially petrochemical, oil, and natural gas sectors, separation process of CO2 gas which is a corrosive gas (acid gas) is required. So, the separation process of CO2 gas stream is important, one of the methods used to remove CO2 from the gas stream is reactive absorption process using the promoted methyldiethanolamine (MDEA) solution. Therefore, this study is aimed to obtain the reaction kinetics data of CO2 absorption in MDEA solution using arginine as a promoter. Arginine was chosen because of its amino acid molecule which is reactive, so it can accelerate the reaction rate of MDEA. Moreover, this study also made a comparison between the reactivity of MDEA solution using arginine and MDEA solution using other promoters (glycine and piperazine) for CO2 absorption. The method used is absorption using laboratory scale of Wetted Wall Column (WWC) equipment at 1 atm. This study provides the reaction kinetics data information in order to optimize the separation process of CO2 in the industrialized world. The experimental results show that CO2 absorption rate at 323.15 K without any additon of arginine is 2.33 × 10-7 kmol/sec. By addition of 0.5 and 1 wt% of arginine, the absorption rate becomes 4 × 10-7 kmol/sec (2 times larger) and 6 × 10-7 kmol/sec (3 times larger). These results show that the addition of arginine as a promoter can increase the absorption rate of CO2 in MDEA solution and cover the weaknesses of MDEA solution. Based on the experimental result, the reaction kinetics constant for arginine is 1.91 × 1025 exp (-12296/T) (m3/kmol.s). Although, arginine reaction rate constant is lower than glycine and piperazine.

  19. 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.

  20. Solid state synthesis of layered sodium manganese oxide for sodium-ion battery by in-situ high energy X-ray diffraction and X-ray absorption near edge spectroscopy

    Science.gov (United States)

    Ma, Tianyuan; Xu, Gui-Liang; Zeng, Xiaoqiao; Li, Yan; Ren, Yang; Sun, Chengjun; Heald, Steve M.; Jorne, Jacob; Amine, Khalil; Chen, Zonghai

    2017-02-01

    In situ high energy X-ray diffraction (HEXRD) and in situ X-ray absorption near edge spectroscopy (XANES) were carried out to understand the solid state synthesis of NaxMnO2, with particular interest on the synthesis of P2 type Na2/3MnO2. It was found that there were multi intermediate phases formed before NaMnO2 appeared at about 600 °C. And the final product after cooling process is a combination of O‧3 NaMnO2 with P2 Na2/3MnO2. A P2 type Na2/3MnO2 was synthesized at reduced temperature (600 °C). The influence of Na2CO3 impurity on the electrochemical performance of P2 Na2/3MnO2 was thoroughly investigated in our work. It was found that the content of Na2CO3 can be reduced by optimizing Na2CO3/MnCO3 ratio during the solid state reaction or other post treatment such as washing with water. We expected our results could provide a good guide for future development of high performance cathode materials for sodium-ion batteries.

  1. Study of nonlinear absorption properties of reduced graphene oxide by Z-scan technique

    Science.gov (United States)

    Sreeja, V. G.; Vinitha, G.; Reshmi, R.; Anila, E. I.; Jayaraj, M. K.

    2017-05-01

    Graphene has generated enormous research interest during the last decade due to its significant unique properties and wide applications in the field of optoelectronics and photonics. This research studied the structural and nonlinear absorption properties of reduced graphene oxide (rGO) synthesized by Modified Hummer's method. Structural and physiochemical properties of the rGO were explored with the help of Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy (Raman). Nonlinear absorption property in rGO, was investigated by open aperture Z-scan technique by using a continuous wave (CW) laser. The Z-scan results demonstrate saturable absorption property of rGO with a nonlinear absorption coefficient, β, of -2.62 × 10-4 cm/W, making it suitable for applications in Q switching, generation of ultra-fast high energy pulses in laser cavity and mode lockers.

  2. The Ablation Properties of CO2 Laser Irradiating to Absorption Media: An In Vitro Study

    Directory of Open Access Journals (Sweden)

    Sajee Sattayut

    2012-01-01

    Full Text Available This study aimed to compare histological affected zone of tissue samples irradiated by defocused CO2 laser at 1, 2, and 3W continuous wave with and without absorption media. The in vitro experiment was conducted in 70 tissue blocks. The samples were randomly allocated into 7 groups: 10 samples each group, namely, the groups irradiated with 1, 2, and 3W, defocused CO2 laser for 5 seconds, the groups irradiated with 1, 2, and 3W, defocused CO2 laser to the absorption media, and the media alone group as a control. Then the samples were stained with Masson’s trichrome and measured the affected borders under light microscope at 10 × 10 magnification. There was no histological alteration in the groups irradiated with the defocused CO2 laser to the absorption media while the groups without using the absorption media showed the tissue alteration by photoablation.

  3. Study on the Kinetics and Removal Formula of Methanethiol by Ethanol Absorption

    Directory of Open Access Journals (Sweden)

    Yinghe Jiang

    2016-10-01

    Full Text Available Biological filtration is widely used for deodorising in wastewater treatment plants. This technique can efficiently remove soluble odour-causing substances, but minimally affects hydrophobic odorants, such as methanethiol (MT and dimethyl sulfide. Ethanol absorption capacity for MT (as a representative hydrophobic odorant was studied, and the MT removal rate formula was deduced based on the principle of physical absorption. Results indicated that the MT removal rate reached 80% when the volume ratio of ethanol/water was 1:5. The phase equilibrium constant was 0.024, and the overall mass transfer coefficient was 2.55 kmol/m2·h in the deodorisation tower that functioned as the physical absorption device. Examination results showed that the formula exhibited adaptability under changing working conditions. These findings provide a reference for engineering design and operation of a process for the removal of MT by ethanol absorption.

  4. Infrared reflection-absorption spectroscopy and polarization-modulated infrared reflection-absorption spectroscopy studies of the aequorin langmuir monolayer.

    Science.gov (United States)

    Wang, Chengshan; Micic, Miodrag; Ensor, Mark; Daunert, Sylvia; Leblanc, Roger M

    2008-04-03

    The Langmuir monolayer of aequorin and apoaequorin was studied by infrared reflection-absorption spectroscopy (IRRAS) and polarization-modulated IRRAS techniques. The alpha-helices in the aequorin Langmuir monolayer were parallel to the air-water interface at zero surface pressure. When the surface pressure increased to 15 mN.(m-1), the alpha-helices became tilted and the turns became parallel to the air-water interface. As for apoaequorin, the alpha-helices were also parallel to the air-water interface at 0 mN.m(-1). However, the alpha-helix became tilted and the turns became parallel to the air-water interface quickly at 5 mN.m(-1). With further compression of the apoaequorin Langmuir monolayer, the orientation remained the same. The different behaviors of aequorin and apoaequorin at the air-water interface were explained by the fact that aequorin formed dimers at the air-water interface but apoaequorin was a monomer. It is more difficult for a dimer to be tilted by the compression of the Langmuir monolayer.

  5. Atlas instrumentation guided by the medial edge of the posterior arch: An anatomic and radiologic study.

    Science.gov (United States)

    Al-Habib, Amro F; Al-Rabie, Abdulkarim; Aleissa, Sami; Albakr, Abdulrahman; Abobotain, Abdulaziz

    2017-01-01

    This was an interventional human cadaver study and radiological study. Atlas instrumentation is frequently involved in fusion procedures involving the craniocervical junction area. Identification of the entry point at the center of atlas lateral mass (ALM) is challenging because of its rounded posterior surface and the surrounding venous plexus. This report examines using the medial edge of atlas posterior arch (MEC1) as a fixed and reliable anatomic reference to guide the entry point of ALM screws. Fifty, normal, cervical spine computed tomography studies were reviewed. ALM screw trajectories were planned at one point along MEC1 and another point 2 mm lateral to MEC1. Free-hand ALM instrumentation was performed in ten fresh human cadavers using the 2 mm entry point, with a sagittal trajectory parallel to atlas inferior arch (IAC1); three-dimensional imaging was then performed to confirm instrumentation accuracy. The average ALM diameter was 12.35 mm. Inserting a screw using the entry point 2 mm lateral to MEC1 was closer to ALM midpoint than using the entry point along MEC1 (P instrumentation. An entry point 2 mm point lateral to MEC1 is close to ALM midpoint. IAC1 also provides a guide for the sagittal trajectory. Attention to anatomic landmarks may help reduce complications associated with atlas instrumentation but should be verified in future clinical studies.

  6. 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.

  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. A first principles study on the CVD graphene growth on copper surfaces: A carbon atom incorporation to graphene edges

    Science.gov (United States)

    Tajima, Nobuo; Kaneko, Tomoaki; Nara, Jun; Ohno, Takahisa

    2016-11-01

    Carbon atom reactions in the chemical vapor deposition (CVD) processes for graphene production on copper surfaces have been studied by first principles molecular dynamics (MD) simulations at a typical CVD growth temperature. This study focuses on the processes of a carbon atom incorporation to graphene edges. The energy barriers of these carbon atom incorporation reactions have been calculated as ~ 1 eV, which are comparable or slightly larger than the barriers of carbon atom dimerization. We have also found that the surface copper atoms form step like structures to terminate the carbon dangling bonds at graphene edges, which are markedly different from the graphene-copper interactions observed in static calculations.

  9. Studies on calcium absorption from milk using a double-label stable isotope technique.

    Science.gov (United States)

    Fairweather-Tait, S J; Johnson, A; Eagles, J; Ganatra, S; Kennedy, H; Gurr, M I

    1989-09-01

    Calcium absorption was measured in ten male volunteers from skimmed milk, Ca-enriched skimmed milk or watercress (Nasturtium officinale) soup. The foods were labelled extrinsically with 30 mg 44Ca. Shortly after consuming the labelled meal, each subject was given an intravenous injection of 3 mg 42Ca. Fractional absorption from the oral dose was determined from plasma and urine samples collected 24-72 h later, using fast atom bombardment mass spectrometry to measure isotope ratios. The values for urine and plasma were in good agreement. Mean percentage absorption was 45.5 (SEM 1.9)% from the skimmed milk, 35.7 (SEM 4.7)% from the Ca-enriched milk and 27.4 (SEM 1.9)% from the watercress soup. The effect of consuming 568 ml (1 pint) Ca-enriched milk each day for 4 weeks on the efficiency of absorption of Ca was studied. Although there was no statistically significant difference between Ca absorption before and after the supplementation period, the results were considered to be somewhat inconclusive due to the small number of subjects and wide individual variation in Ca absorption.

  10. Infrared reflection absorption study of water interaction with H ...

    Indian Academy of Sciences (India)

    Water adsorption on clean and hydrogenated Si(100) surfaces was studied under ultra high vacuum conditions using surface infrared spectroscopy. The study shows that H–Si–Si–OH and SiH2 ... Author Affiliations. G Ranga Rao1. Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India ...

  11. ELECTRONIC-STRUCTURE OF TETRAHEDRAL IRON(III) SULFUR CLUSTERS IN ALKALINE THIOFERRATES - AN X-RAY-ABSORPTION STUDY

    NARCIS (Netherlands)

    Atanasov, M.; Potze, R.H; Sawatzky, G.A

    1995-01-01

    X-ray absorption spectra of Na5FeS4 and KFeS2 containing separate and interconnected edge-shared FeS45- tetrahedra, respectively, are reported and interpreted in terms of an S = 5/2 ground state for Fe3+ in both compounds. A rather small value of the ligand-to-metal charge transfer energy Delta(eff)

  12. Electronic and chemical state of aluminum from the single- (K) and double-electron excitation (KLII&III, KLI) x-ray absorption near-edge spectra of α-alumina, sodium aluminate, aqueous Al³⁺•(H₂O)₆, and aqueous Al(OH)₄⁻

    Energy Technology Data Exchange (ETDEWEB)

    Fulton, John L. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Govind, Niranjan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Huthwelker, Thomas [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Bylaska, Eric J. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Vjunov, Aleksei [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Pin, Sonia [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Smurthwaite, Tricia D. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

    2015-07-02

    We probe, at high energy resolution, the double electron excitation (KLII&II) x-ray absorption region that lies approximately 115 eV above the main Al K-edge (1566 eV) of α-alumina and sodium aluminate. The two solid standards, α-alumina (octahedral) and sodium aluminate (tetrahedral) are compared to aqueous species that have the same Al coordination symmetries, Al³⁺•6H₂O (octahedral) and Al(OH)₄⁻ (tetrahedral). For the octahedral species, the edge height of the KLII&III-edge is approximately 10% of the main K-edge however the edge height is much weaker (3% of K-edge height) for Al species with tetrahedral symmetry. For the α-alumina and aqueous Al³⁺•6H₂O the KLII&III spectra contain white line features and extended absorption fine structure (EXAFS) that mimics the K-edge spectra. The KLII&III-edge feature interferes with an important region of the extended-XAFS region of the spectra for the K-edge of the crystalline and aqueous standards. The K-edge spectra and K-edge positions are predicted using time-dependent density functional theory (TDDFT). The TDDFT calculations for the K-edge XANES spectra reproduce the observed transitions in the experimental spectra of the four Al species. The KLII&III and KLI onsets and their corresponding chemical shifts for the four standards are estimated using the delta self-consistent field (ΔSCF) method. Research by JLF, NG, EJB, AV, TDS was supported by U.S. Department of Energy’s (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. NG thanks Amity Andersen for help with the α-Al₂O₃ and tetrahedral sodium aluminate (NaAlO₂) clusters. All the calculations were performed using the Molecular Science Computing Capability at EMSL, a national scientific user facility sponsored by the U.S. Department of Energy’s Office of Biological and Environmental Research and located at

  13. Validation study of gyrokinetic simulation (GYRO) near the edge in Alcator C-Mod ohmic discharges

    Science.gov (United States)

    Sung, C.; White, A.; Howard, N.; Mikkelsen, D.; Holland, C.; Rice, J.; Reinke, M.; Gao, C.; Ennever, P.; Porkolab, M.; Churchill, R.; Theiler, C.; Walk, J.; Hughes, J.; Hubbard, A.; Greenwald, M.

    2014-10-01

    A validation study of local gyrokinetic simulations (GYRO) near the edge region (r / a ~ 0 . 85) has been performed for two C-Mod ohmic discharges, namely one that is in the Linear Ohmic Confinement (LOC) regime and the other one in the Saturated Ohmic Confinement (SOC) regime. Comparing the simulated heat fluxes and synthetic Te fluctuations with the experiments, it is found that GYRO can reproduce the ion heat flux and the Te fluctuation level measured by the Correlation ECE (CECE) diagnostic within their uncertainties, while the simulated electron heat flux is under-predicted. Furthermore, the synthetic Te spectral shape is not matched with the measured spectrum in both LOC/SOC discharges. We have also performed global simulations to consider the interaction of turbulence within the sampling volume of the CECE diagnostic, enabling us to evaluate the importance of global simulations in applying a synthetic CECE diagnostic in this study. The LOC/SOC transition physics will be also explored. Research supported by USDoE Awards DE-SC0006419, DE-FC02-99ER54512.

  14. Edge Bioinformatics

    Energy Technology Data Exchange (ETDEWEB)

    2015-08-03

    Edge Bioinformatics is a developmental bioinformatics and data management platform which seeks to supply laboratories with bioinformatics pipelines for analyzing data associated with common samples case goals. Edge Bioinformatics enables sequencing as a solution and forward-deployed situations where human-resources, space, bandwidth, and time are limited. The Edge bioinformatics pipeline was designed based on following USE CASES and specific to illumina sequencing reads. 1. Assay performance adjudication (PCR): Analysis of an existing PCR assay in a genomic context, and automated design of a new assay to resolve conflicting results; 2. Clinical presentation with extreme symptoms: Characterization of a known pathogen or co-infection with a. Novel emerging disease outbreak or b. Environmental surveillance

  15. 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 ...

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

    Indian Academy of Sciences (India)

    Unknown

    Oxide glasses formed with heavy metal ions have received significant attention owing to their interesting optical applications. These glasses are better competitors for opti- cal transmission studies due to their long infrared cut-off. (Fu and Yatsuda 1995; Pan and Ghosh 2000). Electron spin resonance (ESR) spectroscopy is ...

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

    Indian Academy of Sciences (India)

    Unknown

    Department of Electronics, Shankarrao Mohite Mahavidyalaya, Akluj District, Solapur 413 101, India. †Department of Electronics, Shivaji University, Kolhapur 416 004, India. MS received 13 November 2001; revised 20 ..... tic study of Nd3+ substituted Zn–Mg ferrites, Ph. D. Thesis,. Shivaji University, Kolhapur. Ladgaonkar ...

  18. Optical absorption and fluorescence studies on imidazolium ionic ...

    Indian Academy of Sciences (India)

    Unknown

    are often described as 'designer solvents', as it is possible to design an ionic liquid with the desired properties using appropriate combinations of cationic and anionic constituents. Since application of the ionic liquids as media of photophysical studies depends on how transparent these substances are in the optical region, ...

  19. Selenol binds to iron in nitrogenase iron-molybdenum cofactor: An extended x-ray absorption fine structure study

    Energy Technology Data Exchange (ETDEWEB)

    Conradson, S.D.; Hodgson, K.O.; Hedman, B. [Stanford Univ., CA (United States); Burgess, B.K. [Univ. of California, Irvine, CA (United States); Newton, W.E. [Virginia Polytechnic Institute and State Univ., Blacksburg, VA (United States); Cicco, A.Di [Universita degli Studi di Camerino, Camerino (Italy); Filipponi, A. [Universita degli Studi dell`Aquila (Italy); Wu, Z.Y.; Natoli, C.R. [Istituto Nazionale di Fisica Nucleare, Frascati (Italy)

    1994-02-15

    The biological N{sub 2}-fixation reaction is catalyzed by the enzyme nitrogenase. The metal cluster active site of this enzyme, the iron-molybdenum cofactor (FeMoco), can be studied either while bound within the MoFe protein component of nitrogenase or after it has ben extracted into N-methylformamide. The two species are similar but not identical. For example, the addition of thiophenol or selenophenol to isolated FeMoco causes its rather broad S = 3/2 electron paramagnetic resonance signal to sharpen and more closely approach the signal exhibited by protein-bound FeMoco. The nature of this thiol/selenol binding site has been investigated by using Se-K edge extended x-ray absorption fine structure (EXAFS) to study selenophenol ligated to FeMoco, and the results are reported here. EXAFS data analysis at the ligand Se-K edge was performed with a set of software, GNXAS, that provides for direct calculation of the theoretical EXAFS signals and least-squares fits to the experimental data. Data analysis results show definitively that the selenol (and by inference thiol) binds to Fe at a distance of 2.4 {angstrom}. In contrast, unacceptable fits are obtained with either Mo or S as the liganded atom (instead of Fe). These results provide quantitative details about an exchangeable thio/selenol binding site on FeMoco in its isolated, solution state and establish an Fe atom as the site of this reaction. Furthermore, the utility of ligand-based EXAFS as a probe of coordination in polynuclear metal clusters is demonstrated.

  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. Grazing incidence reflectivity and total electron yield effects in soft x-ray absorption spectroscopy

    NARCIS (Netherlands)

    Alders, D; Hibma, T; Sawatzky, G.A; Cheung, K.C.; van Dorssen, G.E.; Roper, M.D.; Padmore, H.A.; van der Laan, G.; Vogel, J; Sacchi, M.

    1997-01-01

    We report on a study of grazing incidence absorption and reflection spectra of NiO in the region of the Ni 2p edge. The aim is to evaluate the distortion of the near edge spectrum by the critical angle behavior of individual components within the spectrum. This can be used to improve the separation

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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

    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...

  7. Relic Neutrino Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Eberle, b

    2004-01-28

    Resonant annihilation of extremely high-energy cosmic neutrinos on big-bang relic anti-neutrinos (and vice versa) into Z-bosons leads to sizable absorption dips in the neutrino flux to be observed at Earth. The high-energy edges of these dips are fixed, via the resonance energies, by the neutrino masses alone. Their depths are determined by the cosmic neutrino background density, by the cosmological parameters determining the expansion rate of the universe, and by the large redshift history of the cosmic neutrino sources. We investigate the possibility of determining the existence of the cosmic neutrino background within the next decade from a measurement of these absorption dips in the neutrino flux. As a by-product, we study the prospects to infer the absolute neutrino mass scale. We find that, with the presently planned neutrino detectors (ANITA, Auger, EUSO, OWL, RICE, and SalSA) operating in the relevant energy regime above 10{sup 21} eV, relic neutrino absorption spectroscopy becomes a realistic possibility. It requires, however, the existence of extremely powerful neutrino sources, which should be opaque to nucleons and high-energy photons to evade present constraints. Furthermore, the neutrino mass spectrum must be quasi-degenerate to optimize the dip, which implies m{sub {nu}} 0.1 eV for the lightest neutrino. With a second generation of neutrino detectors, these demanding requirements can be relaxed considerably.

  8. Soft X-ray absorption spectroscopy study of (Ba0.5Sr0.5) (Co0.8Fe0.2)1-хNbхO3-δ with different content of Nb (5%-20%)

    NARCIS (Netherlands)

    Egorova, Y.V.; Scherb, T.; Schumacher, G.; Bouwmeester, Henricus J.M.; Filatova, E.O.

    2015-01-01

    The mixed electronic ionic conducting materials (Ba0.5Sr0.5) (Co0.8Fe0.2)1 хNbхO3 d with partial Nb substitution (x: 0.05, 0.10, 0.15, 0.20) for B cations (Co/Fe), synthesized using a solid state reaction method, have been studied by near edge X-ray absorption fine structure (NEXAFS). Co L2,3-

  9. A STUDY OF THE EDGE FIELD EFFECT USING MAFIA SIMULATIONS CONFORMAL MAPPING

    Energy Technology Data Exchange (ETDEWEB)

    ZHAO,Y.

    1999-10-01

    It was found that the measured Q value of a tape resonator has a large difference with that calculated with MAFIA. This difference is recognized to be mainly due to the error in the simulation, which is unable to handle a sharp edge. This note addresses the 2-dimensional MAFIA simulation and conformal mapping. It shows the error could be as high as 60 %. Reasonable caution should be exercised in the use of MAFIA, and other codes as well, in calculating Q value if a sharp edge exists in the problem.

  10. Gas Absorption by Alkaline Solution in a Cyclone Scrubber: Experimental and Modeling Study

    Directory of Open Access Journals (Sweden)

    Mariana Mariana

    2009-06-01

    Full Text Available Experimental and modeling studies have been conducted on a CO2 absorption in a cyclone scrubber operated at room temperature. The effects of parameters such as the initial concentration of alkali in the solution and the liquid – gas ratio on the CO2 absorbed flux were experimentally and theoretically investigated. A theoretical study has been performed using a mathematical model based on the absorption in the liquid droplet with instantaneous reaction, in the inlet duct of the cyclone and in the cyclone itself. The results from the model were compared with experimental data and showed satisfactory agreement.   Keywords: CO2 removal, mathematical model, wet cyclone scrubber

  11. 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.

  12. Total absorption studies of high priority decays for reactor applications: 86Br and 91Rb

    Directory of Open Access Journals (Sweden)

    Algora A.

    2017-01-01

    Full Text Available Preliminary results from beta decay studies of nuclei that are important for reactor applications are presented. The beta decays have been studied using the total absorption technique (TAS and the pure beams provided by the JYFLTRAP system at the IGISOL facility of the University of Jyväskylä.

  13. Studies of the optical properties of solids. I. Two-photon electroabsorption. II. Electron-hole exchange coupling at L-II, L-III edges

    Energy Technology Data Exchange (ETDEWEB)

    Kolber, Michael Allen [Univ. of Illinois, Urbana-Champaign, IL (United States)

    1978-01-01

    In Chapter I, it is shown that direct-gap covalent semiconductors, such as GaAs, should exhibit electric-field induced Franz-Keldysh-like structures in their two-photon absorption spectra. These structures are evaluated employing exciton theory; the resulting lineshapes are shown to be proportional to the lineshapes for one-photon ''forbidden'' transitions, a property which greatly facilitates computations of the two-photon absorption. In chapter two, exchange mixes the LII and LIII soft x-ray absorption edges of metallic Na, Mg, and Al, affecting the detailed absorption lineshape and the LIILIII intensity ratio. The Onodera theory of this mixing is generalized and the requirements of particle conservation and causality lead to significant modifications of the theoretical absorption lineshape. It is shown that under certain conditions an exchange-free lineshape can be extracted from experimental data for comparison with non-asymptotic theories of x-ray edges.

  14. 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.

  15. 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...

  16. Study of the microstructure evolution of zirconium alloy during deuterium absorption at high temperature

    Science.gov (United States)

    Zhang, Cheng; Yang, Yun; Zhang, Yin; Liu, Jingru; You, Li; Song, Xiping

    2017-09-01

    In the exploration of fusion power, zirconium alloy has been viewed as a potential deuterium storage material to store and deliver deuterium fuel into fusion reactors, due to its large deuterium storage capacity, low deuterium desorption pressure and fast deuterium absorption kinetics. But it often cracks after deuterium absorption. In this study, the microstructure and deuterium absorption kinetic of β-Zr in various deuteriding conditions (pressure, time and temperature) were investigated. The results showed that, with the increase of deuteriding pressures from 1 bar to 3 bar at 1173 K, the deuteride content and the deuteride morphology changed significantly. During deuterium absorption at 3 bar, the surface deuteride layer was formed first, and then the inner deuteride network was gradually developed with the time. There existed an apparent deuterium concentration gradient from surface to center. With the increase of deuteriding temperatures from 973 K to 1173 K, the deuteride content decreased. The kinetic of deuterium absorption at 1173 K was found to be affected by the deuteriding pressures. Transmission electron microscopy (TEM) results showed that ε deuterides nucleated and grew at the interface of δ deuterides, and small bands with different crystal orientation were found within the ε deuterides. The γ deuterides were found at 3 bar, within which twins and tweed structure were observed. An orientation relationship of δ//ε, {111}δ//{111}ε between δ and ε deuterides was also determined by TEM analysis.

  17. [Comparation of gastrointestinal absorption studies of specnuezhenide with salidroside in rats].

    Science.gov (United States)

    Li, Hui-Fen; Zhang, Xue-Lan

    2014-03-01

    The experiment was designed to study the mechanism of increasing efficiency of Ligustrum lucidum steamed with wine. Rats in vivo with gastrointestinal perfusion model were used. The contents of salidroside and specnuezhenide in the fluid of gastrointestinal perfusion of rats were measured by HPLC at different time points after dosing. Then the K(a) and absorption percentage were calculated. Specnuezhenide could be detected in the fluid of gastrointestinal perfusion of specnuezhenide. The K(a) of the specnuezhenide and salidroside in the fetal intestines are 0.055 3 and 0.144 2 h(-1) respectively and the total absorptivity are 24.46% and 60.14% respectively after 4 hours. The K(a) in the stomach are 5.70 and 8.26 h(-1) respectively and the total absorptivity are 34.21% and 47.23% respectively after 4 hours. The experiment proved that specnuezhenide can be metabolized into salidroside which is more beneficial for gastrointestinal absorption. The experiment proved that specnuezhenide can be metabolized into salidroside both in the rat's stomach and the fetal intestine and compared with the specnuezhenide salidroside is more conducive to gastrointestinal absorption. The results suggested that the increasing efficiency on liver and kidney of L. lucidum steamed with wine has business with the fact that Specnuezhe nide is more conducive to the body after it is changed into salidroside.

  18. 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.

  19. 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.

  20. Extended X-ray absorption fine structure study of mixed-ligand copper(II) complexes having analogous structures

    Science.gov (United States)

    Gaur, Abhijeet; Shrivastava, B. D.; Srivastava, Krishna; Prasad, J.

    2013-02-01

    X-ray absorption fine structure spectra have been studied at the Cu K-edge in five mixed-ligand copper(II) complexes, viz., [Cu(L-glu)(bipy)] 1, [Cu(L-glu)(phen) (H2O)].3H2O 2, [Cu(L-tyro)(bipy)(ClO4)].2H2O 3, [Cu(L-phen)(bipy)(H2O)] (ClO4) 4, and [Cu(L-tyro)(phen)(H2O)] (ClO4).1.5H2O 5 (where L-glu = L-glutamate dianion, L-tyro = L-tyrosinate anion, bipy = 2,2'-bipyridine, and phen =1,10-phenanthroline), having essentially the same structure. The crystallographic data are available for all the complexes using which five theoretical models have been generated. Firstly, extended X-ray absorption fine structure (EXAFS) data of each complex has been analyzed using its own theoretical model and the results obtained are found to be comparable with the crystallographic results. Then, the EXAFS data of each complex has been analyzed using the theoretical models of the remaining four of these complexes. For each complex, the structural parameters obtained by fitting EXAFS data with theoretical models of the four remaining complexes have been found to be comparable with those obtained by fitting its own theoretical model. Thus, it has been found that if the crystal structure is not available for a complex, then the crystal structure of similar or analogous complex can be used satisfactorily for generating the theoretical model for the EXAFS data analysis of that complex, even if different ligands are attached to the central metal atom. On the basis of EXAFS data analysis, the coordination geometries around the central metal ions in these complexes have been depicted.

  1. HERschel Observations of Edge-on Spirals (HEROES). III. Dust energy balance study of IC 2531

    NARCIS (Netherlands)

    Mosenkov, Aleksandr V.; Allaert, Flor; Baes, Maarten; Bianchi, Simone; Camps, Peter; De Geyter, Gert; De Looze, Ilse; Fritz, Jacopo; Gentile, Gianfranco; Hughes, Thomas M.; Lewis, Fraser; Verstappen, Joris; Verstocken, Sam; Viaene, Sébastien

    2016-01-01

    We investigate the dust energy balance for the edge-on galaxy IC 2531, one of the seven galaxies in the HEROES sample. We perform a state-of-the-art radiative transfer modelling based, for the first time, on a set of optical and near-infrared galaxy images. We show that by taking into account

  2. Experimental And Numerical Study Of CMC Leading Edges In Hypersonic Flows

    Science.gov (United States)

    Kuhn, Markus; Esser, Burkard; Gulhan, Ali; Dalenbring, Mats; Cavagna, Luca

    2011-05-01

    Future transportation concepts aim at high supersonic or hypersonic speeds, where the formerly sharp boundaries between aeronautic and aerospace applications become blurred. One of the major issues involved to high speed flight are extremely high aerothermal loads, which especially appear at the leading edges of the plane’s wings and at sharp edged air intake components of the propulsion system. As classical materials like metals or simple ceramics would thermally and structurally fail here, new materials have to be applied. In this context, lightweight ceramic matrix composites (CMC) seem to be prospective candidates as they are high-temperature resistant and offer low thermal expansion along with high specific strength at elevated temperature levels. A generic leading edge model with a ceramic wing assembly with a sweep back angle of 53° was designed, which allowed for easy leading edge sample integration of different CMC materials. The samples consisted of the materials C/C-SiC (non-oxide), OXIPOL and WHIPOX (both oxide) with a nose radius of 2 mm. In addition, a sharp edged C/C-SiC sample was prepared to investigate the nose radius influence. Overall, 13 thermocouples were installed inside the entire model to measure the temperature evolution at specific locations, whereby 5 thermocouples were placed inside the leading edge sample itself. In addition, non-intrusive techniques were applied for surface temperature measurements: An infrared camera was used to measure the surface temperature distribution and at specific spots, the surface temperature was also measured by pyrometers. Following, the model was investigated in DLR’s arc-heated facility L3K at a total enthalpy of 8.5 MJ/kg, Mach number of 7.8, different angles of attack and varying wing inclination angles. These experiments provide a sound basis for the simulation of aerothermally loaded CMC leading edge structures. Such fluid-structure coupled approaches have been performed by FOI, basing on a

  3. Effect of particle size and adsorbates on the L{sub 3}, L{sub 2} and L{sub 1} x-ray absorption near edge structure of supported Pt nanoparaticles.

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Y.; Jelic, J.; Nitsche, L. C.; Meyer, R.; Miller, J. (Chemical Sciences and Engineering Division); (Univ. of Illinois at Chicago)

    2011-04-01

    Pt nano-particles from about 1 to 10 nm have been prepared on silica, alkali-silica, alumina, silica-alumina, carbon and SBA-15 supports. EXAFS spectra of the reduced catalysts in He show a contraction of the Pt-Pt bond distance as particle size is decreased below 3 nm. The bond length decreased as much as 0.13 {angstrom} for 1 nm Pt particles. Adsorption of CO and H{sub 2} lead to a increase in Pt-Pt bond distance to that near Pt foil, e.g., 2.77 {angstrom}. In addition to changes in the Pt bond distance with size, as the particle size decreases below about 5 nm there is a shift in the XANES to higher energy at the L{sub 3} edge, a decrease in intensity near the edge and an increase in intensity beyond the edge. We suggest these features correspond to effects of coordination (the decrease at the edge) and lattice contraction (the increase beyond the edge). At the L{sub 2} edge, there are only small shifts to higher energy at the edge. However, beyond the edge, there are large increases in intensity with decreasing particle size. At the L{sub 1} edge there are no changes in position or shape of the XANES spectra. Adsorption of CO and H{sub 2} also lead to changes in the L{sub 3} and L{sub 2} edges, however, no changes are observed at the L1 edge. Density Functional Theory and XANES calculations show that the trends in the experimental XANES can be explained in terms of the states available near the edge. Both CO and H{sub 2} adsorption result in a depletion of states at the Fermi level but the creation of anti-bonding states above the Fermi level which give rise to intensity increases beyond the edge.

  4. Accuracy evaluation of the optical surface monitoring system on EDGE linear accelerator in a phantom study

    Energy Technology Data Exchange (ETDEWEB)

    Mancosu, Pietro; Fogliata, Antonella, E-mail: Antonella.Fogliata@humanitas.it; Stravato, Antonella; Tomatis, Stefano; Cozzi, Luca; Scorsetti, Marta

    2016-07-01

    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 3 cm, (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 ± 0.3 mm for linear vector displacement, with a maximum rotational inaccuracy of 0.3°. OSMS presented an accuracy of 0.3 mm for displacement up to 1 cm and 1°, and 0.5 mm for larger displacements. Different couch angles (45° and 90°) induced a mean vector uncertainty < 0.4 mm. Coverage of 1 camera produced an uncertainty < 0.5 mm. Translations and rotations of a phantom can be accurately detect with the optical surface detector system.

  5. Gold/titania composites: An X-ray absorption spectroscopy study on the influence of the reduction method

    Energy Technology Data Exchange (ETDEWEB)

    Meire, Mieke [Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent (Belgium); Tack, Pieter [Ghent University, Department of Analytical Chemistry, Krijgslaan 281-S12, 9000 Ghent (Belgium); De Keukeleere, Katrien [Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent (Belgium); Balcaen, Lieve [Ghent University, Department of Analytical Chemistry, Krijgslaan 281-S12, 9000 Ghent (Belgium); Pollefeyt, Glenn [Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent (Belgium); Vanhaecke, Frank; Vincze, Laszlo [Ghent University, Department of Analytical Chemistry, Krijgslaan 281-S12, 9000 Ghent (Belgium); Van Der Voort, Pascal; Van Driessche, Isabel [Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent (Belgium); Lommens, Petra, E-mail: Petra.Lommens@UGent.be [Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281-S3, 9000 Ghent (Belgium)

    2015-08-01

    The functionalization of titania based materials with noble metal cocatalysts such as gold or platinum is a well known procedure to improve the catalytic activity of these materials in for example the degradation of organic pollutants or CO conversion. Parameters such as cocatalyst load, noble metal particle size and oxidation state influence the efficiency of these materials. We have impregnated a mesoporous titania powder with a gold salt and used different synthesis routes to reduce the gold ions. A structural analysis was performed using electron microscopy and nitrogen sorption. An X-ray absorption near edge structure spectroscopy study, in both high and low resolution, was performed to investigate the influence of the different reduction methods on the oxidation state of the gold atoms. This technique can also provide information on the local environment of the gold atoms and their interaction with the titanium dioxide host. We found that varying the reduction method has a significant impact on the oxidation state of the gold cocatalysts. This lead to varying interactions with the titania support and charging of the gold nanoparticles. - Highlights: • Influence of reduction method on Au/TiO{sub 2} was studied. • Hydrogen reduction of gold salt results in the smallest particles of 2.4 nm. • XANES is used to determine the oxidation state of gold atoms. • Hydrogen and microwave synthesis produce completely reduced gold particles. • UV reduction of gold salt leads to positively charged particles.

  6. 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.

  7. In vivo absorption studies of insulin from an oral delivery system.

    Science.gov (United States)

    Jerry, N; Anitha, Y; Sharma, C P; Sony, P

    2001-01-01

    Alginate microspheres prepared by an emulsion-based process were loaded with insulin by a remote loading process. We observed that the time of exposure, pH of the remote loading medium, and beta-cyclodextrin complexation of insulin influenced drug loading. In vivo absorption studies of insulin from optimized microspheres were carried out in diabetic albino rats. Serum sugar levels on administration of multiple oral doses of the microspheres and a radioimmunoassay for serum insulin indicated absorption of insulin from the gastrointestinal region. This process could be utilized for the development of an oral insulin delivery system.

  8. The study of optical band edge property of bismuth oxide nanowires α-Bi2O3.

    Science.gov (United States)

    Ho, Ching-Hwa; Chan, Ching-Hsiang; Huang, Ying-Sheng; Tien, Li-Chia; Chao, Liang-Chiun

    2013-05-20

    The α-phase Bi(2)O(3) (α-Bi(2)O(3)) is a crucial and potential visiblelight photocatalyst material needless of intentional doping on accommodating band gap. The understanding on fundamental optical property of α-Bi(2)O(3) is important for its extended applications. In this study, bismuth oxide nanowires with diameters from tens to hundreds nm have been grown by vapor transport method driven with vapor-liquid-solid mechanism on Si substrate. High-resolution transmission electron microscopy and Raman measurement confirm α phase of monoclinic structure for the as-grown nanowires. The axial direction for the as-grown nanowires was along . The band-edge structure of α-Bi(2)O(3) has been probed experimentally by thermoreflectance (TR) spectroscopy. The direct band gap was determined accurately to be 2.91 eV at 300 K. Temperaturedependent TR measurements of 30-300 K were carried out to evaluate temperature-energy shift and line-width broadening effect for the band edge of α-Bi(2)O(3) thin-film nanowires. Photoluminescence (PL) experiments at 30 and 300 K were carried out to identify band-edge emission as well as defect luminescence for the α-Bi(2)O(3) nanowires. On the basis of experimental analyses of TR and PL, optical characteristics of direct band edge of α-Bi(2)O(3) nanowires have thus been realized.

  9. 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.

  10. 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 ...

  11. A study of the percutaneous absorption-enhancing effects of cyclodextrin derivatives in rats

    NARCIS (Netherlands)

    VOLLMER, U; MULLER, BW; PEETERS, J; MESENS, J; WILFFERT, B; Peters, Thies

    2-Hydroxypropyl-beta-cyclodextrin (HP-beta-CyD) and 2,6-dimethyl-beta-cyclodextrin (D-beta-CyD) were studied for transdermal penetration enhancement of the cytochrome P450 inhibitor liarozole by an in-vivo transdermal absorption rat model. The mode of action of penetration enhancement was

  12. High Pressure X-ray Absorption Studies on Correlated-Electron Systems

    Energy Technology Data Exchange (ETDEWEB)

    Cornelius, Andrew L. [Univ. of Nevada, Las Vegas, NV (United States)

    2016-08-26

    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.

  13. Laser-induced absorption and fluorescence studies of photochromic Schiff bases

    DEFF Research Database (Denmark)

    Kownacki, K.; Mordzinski, A.; Wilbrandt, R.

    1994-01-01

    Three photochromic Schiff bases: N-salicylideneaniline (SA), N-salicylidene-1-naphthylamine (SN), and N,N-bis-(salicylidene)-p-phenylenediamine (Bsp), were studied in acetonitrile by means of steady-state and time-resolved absorption and fluorescence spectroscopy, as well as semiempirical quantum...

  14. An improved model for studies on transdermal drug absorption in-vivo in rats

    NARCIS (Netherlands)

    Vollmer, U.; Muller, B.W.; Wilffert, B.; Peters, Thies

    1993-01-01

    In rats, transdermal drug absorption can be studied under physiological conditions cannulating the peripheral skin vein, draining the area of the skin which is used for drug application, and collecting the blood. This method leads to decreased blood volume, which causes a reduction in skin blood

  15. Phase-resolved Crab Studies with a Cryogenic Transition-Edge Sensor Spectrophotometer

    Science.gov (United States)

    Romani, Roger W.; Miller, A. J.; Cabrera, B.; Nam, S. W.; Martinis, John M.

    2001-12-01

    We are developing time- and energy-resolved near-IR/optical/UV photon detectors based on sharp superconducting-normal transition edges in thin films. We report observations of the Crab pulsar made during prototype testing at the McDonald 2.7 m with a fiber-coupled transition-edge sensor (TES) system. These data show substantial (δα~0.3), rapid variations in the spectral index through the pulse profile, with a strong phase-varying IR break across our energy band. These variations correlate with X-ray spectral variations, but no single synchrotron population can account for the full spectral energy distribution. We also describe test spectrophotopolarimetry observations probing the energy dependence of the polarization sweep; this may provide a new key to understanding the radiating particle population.

  16. 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.

  17. Studies on mass energy-absorption coefficients and effective atomic energy-absorption cross sections for carbohydrates

    Science.gov (United States)

    Ladhaf, Bibifatima M.; Pawar, Pravina P.

    2015-04-01

    We measured here the mass attenuation coefficients (μ/ρ) of carbohydrates, Esculine (C15H16O9), Sucrose (C12H22O11), Sorbitol (C6H14O6), D-Galactose (C6H12O6), Inositol (C6H12O6), D-Xylose (C5H10O5) covering the energy range from 122 keV up to 1330 keV photon energies by using gamma ray transmission method in a narrow beam good geometry set-up. The gamma-rays were detected using NaI(Tl) scintillation detection system with a resolution of 8.2% at 662 keV. The attenuation coefficient data were then used to obtain the total attenuation cross-section (σtot), molar extinction coefficients (ε), mass-energy absorption coefficients (μen/ρ) and effective (average) atomic energy-absorption cross section (σa,en) of the compounds. These values are found to be in good agreement with the theoretical values calculated based on XCOM data.

  18. Pairs Of Edges As Chords And As Cut-Edges

    Directory of Open Access Journals (Sweden)

    McKee Terry A.

    2014-11-01

    Full Text Available Several authors have studied the graphs for which every edge is a chord of a cycle; among 2-connected graphs, one characterization is that the deletion of one vertex never creates a cut-edge. Two new results: among 3-connected graphs with minimum degree at least 4, every two adjacent edges are chords of a common cycle if and only if deleting two vertices never creates two adjacent cut-edges; among 4-connected graphs, every two edges are always chords of a common cycle.

  19. 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.

  20. 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.

  1. X-ray absorption fine structure study of multinuclear copper(I) thiourea mixed ligand complexes

    Science.gov (United States)

    Gaur, Abhijeet; Shrivastava, B. D.; Srivastava, K.; Prasad, J.; Raghuwanshi, V. S.

    2013-07-01

    X-ray absorption fine structure spectra of five copper(I) thiourea complexes [Cu4(thu)6 (NO3)4 (H2O)4] (1), [Cu4(thu)9 (NO3)4 (H2O)4] (2), [Cu2(thu)6 (SO4) H2O] (3), [Cu2(thu)5 (SO4) (H2O)3] (4), and [Cu(thu)Cl 0.5H2O] (5) have been investigated. Complexes 1 and 3 are supposed to have one type of copper centers in trigonal planar and tetrahedral environment, respectively. Complexes 2 and 4 are supposed to have two types of copper centers, one center having trigonal planar geometry and another center having tetrahedral geometry. The aim of the present work is to show how extended X-ray absorption fine structure (EXAFS) spectra of these complexes, having different types of coordination environment, can be analyzed to yield the coordination geometry around one type of copper centers present in complexes 1 and 3, and two types of copper centers present in complexes 2 and 4. The crystal structure of complex 5 is unavailable due to inability of growing its single crystals, and hence the coordination geometry of this complex has been determined from EXAFS. The structural parameters determined from the EXAFS spectra have been reported and the coordination geometry has been depicted for the metal centers present in all the five complexes. Also, the chemical shifts have been used to determine the oxidation state of copper in these complexes. The X-ray absorption near edge spectra features have also been correlated with the coordination geometry. Also, the presence of both three and four coordinated Cu(I) centers in complexes 2 and 4 has been suggested from a comparison of the intensity of the feature at 8984 eV with those of 1 and 3. Further, in case of complex 5, the high intensity of peak A at 8986.5 eV is found to correspond to the presence of Cl coordinated to the copper center.

  2. X-ray Absorption Spectroscopic Studies of High-Spin Nonheme (Alkylperoxo)iron(III) Intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Shan,X.; Rohde, J.; Koehntop, K.; Zhou, Y.; Bukowski, M.; Costas, M.; Fujisawa, K.; Que, Jr., L.

    2007-01-01

    The reactions of iron(II) complexes [Fe(Tpt-Bu,i-Pr)(OH)] (1a, Tpt-Bu,i-Pr = hydrotris(3-tert-butyl-5-isopropyl-1-pyrazolyl)borate), [Fe(6-Me2BPMCN)(OTf)2] (1b, 6-Me2BPMCN = N,N'-bis((2-methylpyridin-6-yl)methyl)-N,N'-dimethyl-trans-1,2-diaminocyclohexane), and [Fe(L8Py2)(OTf)](OTf) (1c, L8Py2 = 1,5-bis(pyridin-2-ylmethyl)-1,5-diazacyclooctane) with tert-BuOOH give rise to high-spin FeIII-OOR complexes. X-ray absorption spectra (XAS) of these high-spin species show characteristic features, distinct from those of low-spin Fe-OOR complexes. These include (1) an intense 1s {yields} 3d preedge feature, with an area around 20 units, (2) an edge energy, ranging from 7122 to 7126 eV, that is affected by the coordination environment, and (3) a 1.86-1.96 Angstroms Fe-OOR bond, compared to the 1.78 Angstroms Fe-OOR bond in low-spin complexes. These unique features likely arise from a flexible first coordination sphere in those complexes. The difference in Fe-OOR bond length may rationalize differences in reactivity between low-spin and high-spin FeIII-OOR species.

  3. X-ray Absorption and Diffraction Studies of Thin Polymer/FePt Nanoparticle Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Toney, Michael F

    2003-06-20

    We have produced assemblies of FePt nanoparticles using high temperature solution phase synthesis and polymer-mediated layer-by-layer deposition allowing precise control of the particle self-assembly. The as-deposited particles have a narrow size distribution offering the potential for use as ultra-high density magnetic storage media and ultimately storage of one bit per individual nanoparticle. Vibrating sample magnetometry was applied to measure the magnetic properties of the particle assemblies as a function of anneal condition while Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy and x-ray diffraction (XRD) were used to investigate the chemical nature and structural properties. It was found that the coercivity can be as high as 22.7 kOe for samples annealed at 800 C, the moment density (normalized to the particle volume) has a maximum of 1140 emu/cm{sup 3} for annealing at 650 C equal to the value for bulk FePt. NEXAFS spectroscopy shows that the Fe in the as-deposited assemblies is partly oxidized, and the oxidation is greatly reduced by annealing. XRD indicates an increased formation of the chemically ordered, high anisotropy L1{sub 0} phase and the onset of nanoparticle agglomeration for annealing at higher temperatures.

  4. 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.

  5. Domination Edge Lift Critical Trees | Desormeaux | Quaestiones ...

    African Journals Online (AJOL)

    stract. Let uxv be an induced path with center x in a graph G. The edge lifting of uv off x is defined as the action of removing edges ux and vx from the edge set of G, while adding the edge uv to the edge set of G. We study trees for which every possible edge lift changes the domination number. We show that there are no ...

  6. 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

  7. 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.

  8. Nano-structured titanium and aluminium nitride coatings: Study by grazing incidence X-ray diffraction and X-ray absorption and anomalous diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Tuilier, M.-H., E-mail: marie-helene.tuilier@uha.fr [Universite de Haute Alsace (UHA), Laboratoire Physique et Mecanique Textile (LPMT), EA 4365 -conventionnee au CNRS, Equipe PPMR, F-68093 Mulhouse (France); Pac, M.-J. [Universite de Haute Alsace (UHA), Laboratoire Physique et Mecanique Textile (LPMT), EA 4365 - conventionnee au CNRS, Equipe PPMR, F-68093 Mulhouse (France); Anokhin, D.V. [Universite de Haute Alsace (UHA), CNRS, Institut de Science des Materiaux de Mulhouse (IS2M), LRC 7228, F-68093 Mulhouse (France); Moscow State University, Faculty of Fundamental Physical and Chemical Engineering, 119991, Moscow, GSP-1, 1-51 Leninskie Gory (Russian Federation); Ivanov, D.A. [Universite de Haute Alsace (UHA), CNRS, Institut de Science des Materiaux de Mulhouse (IS2M), LRC 7228, F-68093 Mulhouse (France); Rousselot, C. [Universite de Franche-Comte, FEMTO-ST (UMR CNRS 6174), F-25211 Montbeliard (France); Thiaudiere, D. [Synchrotron Soleil, Saint Aubin, F-91192 Gif sur Yvette (France)

    2012-12-30

    Titanium and aluminium nitride thin films, Ti{sub 1-x}Al{sub x}N (x = 0, x = 0.5, x = 0.68), deposited by reactive magnetron sputtering on silicon substrates are investigated by combining two different X-ray diffraction experiments carried out using synchrotron radiation. Grazing-incidence X-ray diffraction and Ti K-edge diffraction anomalous near edge structure spectroscopy provide information on the micro- and nano-structure of the films respectively, which play a crucial role in the functionality of coatings. The spectroscopic data of Ti{sub 0.50}Al{sub 0.50}N film show that Ti atoms in crystallized domains and grain boundaries are all in octahedral cubic local order, but their growth mode is quite different. It is found that the crystallized part of the Ti{sub 0.50}Al{sub 0.50}N film has a single-crystalline nature, whereas the TiN one presents a fibrillar microstructure. For Ti{sub 0.32}Al{sub 0.68}N film, grazing-incidence X-ray diffraction provides information on the uniaxial texture along the [001] direction of the hexagonal lattice. A sharp Ti K pre-edge peak is observed in diffraction anomalous near edge spectrum that definitely shows that Ti atoms are incorporated in the hexagonal lattice of those fibrillar domains. Moreover, the difference observed between Ti K-edge diffraction anomalous and X-ray absorption pre-edge regions proves that a significant part of Ti atoms is located in nanocrystallites with cubic symmetry outside of the crystallized domains. - Highlights: Black-Right-Pointing-Pointer We study nano and micro-structures of TiN, Ti{sub 0.50}Al{sub 0.50}N and Ti{sub 0.32}Al{sub 0.68}N films. Black-Right-Pointing-Pointer Anomalous diffraction solves the crystallized part regardless of grain boundaries. Black-Right-Pointing-Pointer TiN microstructure is fibrillar, Ti{sub 0.5}Al{sub 0.5}N presents single crystalline domains. Black-Right-Pointing-Pointer For Ti{sub 0.32}Al{sub 0.68}N, Ti atoms are located in nanocrystallites with cubic symmetry

  9. The double-edged experience of healthcare encounters among women with endometriosis: A qualitative study.

    Science.gov (United States)

    Grundström, Hanna; Alehagen, Siw; Kjølhede, Preben; Berterö, Carina

    2018-01-01

    To identify and describe the experience of healthcare encounters among women with endometriosis. Endometriosis is a "hidden" chronic gynaecological disease appearing in every 10th woman of fertile age. Different manifestations of pain are the main symptoms, often leading to impaired physical and mental health, and lower quality of life. Previous research on healthcare experiences among women with endometriosis has focused on diagnostic delay and experiences of encountering general practitioners. A qualitative, interpretive, phenomenological approach was used. We interviewed nine women aged 23-55, with a laparoscopy-confirmed diagnosis of endometriosis. The interviews were recorded and transcribed verbatim. The data were analysed following the steps of the interpretive phenomenological approach. Two themes were identified in the interview transcripts: being treated with ignorance and being acknowledged. The essence: "the double-edged experience of healthcare encounters" emerged from the themes. The women's experience was double-edged as it involved contradictory feelings: the encounters were experienced as both destructive or constructive. On the one hand, the destructive side was characterised by ignorance, exposure and disbelief. On the other hand, the constructive side made the women feel acknowledged and confirmed, boosting their self-esteem. The new and important aspects of the findings are that the experience of healthcare encounters is for the first time expressed as double-edged: both destructive and constructive. The experience was of specific importance as it affected the women's perceptions of themselves and of their bodies. The information about the constructive side of the experience is of clinical valuable for all healthcare professionals (nurses, midwives and doctors) encountering these women, as it provides a new level of understanding of the experiences. The findings demonstrate both psychological and practical aspects that can help professionals to

  10. [Clinical study on prevention root absorption after teeth replantation with Vitapex paste].

    Science.gov (United States)

    Han, Jun-li; He, Hong; Xu, Zhen; Gu, Tuo; Zhang, Lu-dong; Zhu, Ya-qin

    2010-08-01

    To evaluate the result of using Vitapex paste for preventing root absorption after replanting the avulsed teeth. Thirty patients with 36 avulsed upper anterior teeth with fully developed apices within 5 hours of trauma were enrolled in this study. For each case, the tooth and its alveolar site were irrigated with 0.9%NaCl, then the tooth was put into its original site and fixed with steel wires and composite resin. Two weeks later,the involved teeth underwent pulpectomy and were randomly divided into two groups. Ca(OH)₂ paste was used for temporary root canal filling in group A, and Vitapex paste in group B. The patients were asked to recall every three months, X-ray film was taken to evaluate root absorption and the same temporary root canal filling material was replaced. The permanent root canal filling was performed about one and a half years after treatment when root absorption stopped. Statistical analysis was carried out using SPSS12.0 software package. The success rate of two groups was not significantly different, though which was a little higher one year after treatment in group A than group B (88.9% vs. 83.3%). Vitapex paste had the benefits of both Ca(OH)₂ and iodoform. The radiopaque of iodoform made Vitapex paste observed easily for the status of filling or absorption. The injection style of Vitapex paste makes it easily being manipulated. Vitapex paste is an ideal material for preventing root absorption of replanted avulsed teeth. Supported by Research Fund of Science and Technology Commission of Shanghai Municipality (Grant No. 08DZ2271100).

  11. 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

  12. The fusion code XGC: Enabling kinetic study of multi-scale edge turbulent transport in ITER

    Energy Technology Data Exchange (ETDEWEB)

    D' Azevedo, Eduardo [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Abbott, Stephen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Koskela, Tuomas [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Worley, Patrick [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ku, Seung-Hoe [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Ethier, Stephane [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Yoon, Eisung [Rensselaer Polytechnic Inst., Troy, NY (United States); Shephard, Mark [Rensselaer Polytechnic Inst., Troy, NY (United States); Hager, Robert [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Lang, Jianying [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Intel Corporation, Santa Clara, CA (United States); Choi, Jong [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Podhorszki, Norbert [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Klasky, Scott [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Parashar, Manish [Rutgers Univ., Piscataway, NJ (United States); Chang, Choong-Seock [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

    2017-01-01

    The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning.

  13. Valence and conduction band edges of selenide and sulfide-based kesterites—a study by x-ray based spectroscopy and ab initio theory

    Science.gov (United States)

    Olar, Tetiana; Manoharan, Archana; Draxl, Claudia; Calvet, Wolfram; Ümsur, Bünyamin; Parvan, Vladimir; Chacko, Binoy; Xie, Haibing; Saucedo, Edgardo; Valle-Rios, Laura Elisa; Neldner, Kai; Schorr, Susan; Lux-Steiner, Martha Ch; Lauermann, Iver

    2017-10-01

    Thin film solar cells based on the kesterite material with the general composition Cu2ZnSn(Se,S)4 can be a substitute for the more common chalcopyrites (Cu(In,Ga)(Se,S)2) with a similar band gap range. When replacing the anion sulfide with selenide, the optical band gap of kesterite changes from 1.5 to 1 eV. Here we report on a study of the valence band maximum and conduction band minimum energies of kesterites with either S or Se as the anion. Knowing these positions is crucial for the design of solar cells in order to match the bands of the absorber material with those of the subsequent functional layers like buffer or window layer. Their relative positions were studied using photoelectron spectroscopy of the valence band edge and x-ray absorption spectroscopy of the cations Cu, Zn, and Sn, respectively. The experimental results are interpreted and confirmed in terms of calculations based on density-functional theory and the GW approach of the many-body theory.

  14. Near band-edge optical properties of cubic GaN

    Science.gov (United States)

    Fernandez, J. R. L.; Noriega, O. C.; Soares, J. A. N. T.; Cerdeira, F.; Meneses, E. A.; Leite, J. R.; As, D. J.; Schikora, D.; Lischka, K.

    2003-01-01

    We used photoluminescence, photoluminescence excitation spectroscopy (PLE) and photoreflectance (PR) to study the optical properties of thin films of cubic GaN, deposited by plasma-assisted molecular beam epitaxy on a GaAs (001) substrate. Our results show a clear step-like absorption edge, resulting from the merging of the free exciton with the continuum. Quantitative values for the absorption-edge energy and lifetime broadening are obtained. The dependence of the latter on temperature, as well as some features of the PR spectrum, reveal that the cubic material still presents residual strain and distortions. A secondary absorption-edge due to hexagonal inclusions is also observed in the PLE spectra.

  15. Performance study of winglets on tapered wing with curved trailing edge

    Science.gov (United States)

    Ara, Ismat; Ali, Mohammad; Islam, Md. Quamrul; Haque, M. Nazmul

    2017-06-01

    Induced drag is the result of wingtip vortex produced from generating lift by finite wing. It is one of the main drags that an aircraft wing encounters during flight. It hampers aircraft performance by increasing fuel consumption and reducing endurance, range and speed. Winglets are used to reduce the induced drag. They weakens wingtip vortex and thus reduces induced drag. This paper represents the experimental investigation to reduce induced drag using winglet at the wingtip. A model of tapered wing with curved trailing edge (without winglet) as well as two similar wings with blended winglet and double blended winglet are prepared using NACA 4412 aerofoil in equal span and surface area. All the models are tested in a closed circuit subsonic wind tunnel at air speed of 108 km/h (0.09 Mach). Reynolds number of the flow is 2.28 × 105 on the basis of average chord length of the wings. The point surface static pressures at different angles of attack from -4° to 24° are measured for each of the wing and winglet combinations through different pressure tapings by using a multi-tube water manometer. From the static pressure distribution, lift coefficient, drag coefficient and lift to drag ratio of all models are calculated. From the analysis of calculated values, it is found that both winglets are able to minimize induced drag; however, the tapered curved trailing edge span with blended winglet provides better aerodynamic performance.

  16. Physical and optical absorption studies of Fe{sup 3+} - ions doped lithium borate glasses containing certain alkaline earths

    Energy Technology Data Exchange (ETDEWEB)

    Bhogi, Ashok [VNR Vignana Jyothi Institute of Engineering and Technology, Hyderabad, Telangana (India); Kumar, R. Vijaya [School of Physics, University of Hyderabad, Hyderabad, Telangana (India); Kistaiah, P., E-mail: pkistaiah@yahoo.com [Department of Physics, Osmania University, Hyderabad, Telangana (India)

    2016-05-23

    Iron ion doped lithium borate glasses with the composition 15RO-25Li{sub 2}O-59B{sub 2}O{sub 3}-1Fe{sub 2}O{sub 3} (where R= Ca, Sr and Ba) have been prepared by the conventional melt quenching technique and characterized to investigate the physical and optical properties using XRD, density, molar volume and UV-Visible spectroscopy. The optical absorption spectra exhibit a band at around 460 nm which is assigned to {sup 6}A{sub 1g}(S) → 4E{sub g} (G) of Fe{sup 3+} ions with distorted octahedral symmetry. From ultraviolet absorption edges, the optical band gap and Urbach energies have been evaluated. The effect of alkaline earths on these properties is discussed.

  17. Utilization of 'elemental' sulfur by different phototrophic sulfur bacteria (Chromatiaceae, Ectothiorhodospiraceae): A sulfur K-edge XANES spectroscopy study

    Science.gov (United States)

    Franz, B.; Lichtenberg, H.; Dahl, C.; Hormes, J.; Prange, A.

    2009-11-01

    Phototrophic sulfur bacteria are generally able to use elemental sulfur as an electron donor for anoxygenic photosynthesis. Elemental sulfur is mainly a mixture of cyclo-octasulfur and polymeric sulfur. The purple sulfur bacterium Allochromatium vinosum strongly prefers the polymeric sulfur fraction showing that sulfur speciation has a strong influence on availability of elemental sulfur. X-ray absorption near edge structure (XANES) spectroscopy was used to investigate whether polymeric sulfur is also the preferred sulfur species in other purple sulfur bacteria belonging to the families Chromatiaceae and Ecothiorodospiraceae. The cultures were fed with 50 mM of elemental sulfur consisting of 68% polymeric sulfur and 30% cyclo-octasulfur. In all cultures, elemental sulfur was converted into intra- or extracellular sulfur globules, respectively, and further oxidized to sulfate. Sulfate concentrations were determined by HPLC and turbidometric assays, respectively. However, the added elemental sulfur was only partly used by the bacteria, one part of the 'elemental sulfur' remained in the cultures and was not taken up. XANES spectroscopy revealed that only the polymeric sulfur fraction was taken up by all cultures investigated. This strongly indicates that polymeric 'chain-like' sulfur is the form preferably used by phototrophic sulfur bacteria.

  18. 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

    absorption (VA) spectroscopy can be used as a useful tool in medical diagnostics that provides in principle additional information and detail to that which can be obtained/provided from conventional histological studies, and more conventional mass spectroscopic and NMR techniques. The use of high level......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...... and differences in these cells lines utilizing FTIR spectroscopy. We have used the chemometrical and statistical method principal component analysis (PCA) to investigate the spectral differences. We have been able to identify certain bands in the spectra which are so-called biomarkers for two types of cell lines...

  19. A simplified approach for estimating skin permeation parameters from in vitro finite dose absorption studies.

    Science.gov (United States)

    Lehman, Paul A

    2014-12-01

    Historically, percutaneous absorption permeation parameters have been derived from in vitro infinite dose studies, yet there is uncertainty in their accuracy if the applied vehicle saturates or damages the stratum corneum, or when the permeation parameters are inappropriately derived from cumulative absorption data. An approach is provided for determining penetration parameters from in vitro finite dose data. Key variables, and equations for their derivation, are identified from the literature and provide permeation parameters that use only Tmax , AUC, and AUMC from finite dose data. The equations are tested with computer-generated model data and to actual study data. Derived permeation parameters obtained from the computer model data match those used in generating the simulated finite dose data. Parameters obtained from actual study data reasonably and acceptably model the penetration profile kinetics of the study data. From in vitro finite dose absorption data, three parameters can be obtained: the diffusion transit time (td ), which characterizes the diffusion coefficient, the partition volume (Vm P), which characterizes the partition coefficient, and the permeation coefficient (Kp ). These parameters can be obtained from finite dose data without having to know the length of the diffusion pathway through the membrane. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  20. Living edge

    DEFF Research Database (Denmark)

    Earon, Ofri

    2014-01-01

    was originally introduced to enhance indoor qualities including light and view. Throughout the paper, it is argued that these ecological motives have grown to architectural and urban dimensions. The paper analyzes the characteristics and potentials of these dimensions and their interconnections. The paper...... on the ground level, but there is a lack of recognition in the significance of communicative characters as well at the higher part of the edge. The city’s planning approach is “Consider urban life before urban space. Consider urban space before buildings” This urban strategy neglects the possible architectural...... contribution to the street atmosphere and its effect on urban life. Bay balcony has been a common architectural element in Copenhagen’s residential buildings, since the end of the twenties. It is a domestic border with an architectural thickness combining window, door, windowsill and balcony. The bay balcony...

  1. 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.

  2. STUDY OF AN ABSORPTION MACHINE FOR AN AMMONIA-WATER SYSTEM DECENTRALIZED TRIGENERATION

    Directory of Open Access Journals (Sweden)

    M. M. Rashidi

    2016-05-01

    Full Text Available 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 coefficient of performance increased and decreased, respectively. By increasing boiler temperature the coefficient of performance is constant.

  3. Study of frequency and time responses of a separated absorption and multiplication region avalanche photodiode

    CERN Document Server

    Banoushi, A; Setayeshi, S

    2003-01-01

    In this paper, the frequency and time responses of a separated absorption and multiplication avalanche photodiode are studied by solving the carrier continuity equations, in the low gain regime. The discrepancy between the carrier velocities in different layers is considered for the first time. It is shown that considerable error occurs, if the device d characteristics are calculated assuming uniformly distributed velocities in the depletion layer, especially when the different layers have almost equal thickness.

  4. Atomic Data Revisions for Improving Absorption Line Studies of the Interstellar, Circumgalactic, and Intergalactic Medium

    Science.gov (United States)

    Cashman, Frances; Kulkarni, Varsha; Kisielius, Romas; Ferland, Gary; Bogdanovich, Pavel

    2018-01-01

    Surveying and studying galaxies at different epochs is essential to understanding how galaxies evolve. Atomic spectroscopy is used to study the gas in and around galaxies by means of the absorption features in the spectra of background quasars. Element abundances derived from the measurement of observed lines in these quasar absorption systems rely on accurate atomic data such as the oscillator strength of electric dipole transitions. We have produced a compilation of recommended oscillator strengths for 576 key transitions for wavelengths longward of 911.753 Angstroms (the H I Lyman limit). This compilation focuses on the recent findings from numerous theoretical and experimental physicists for ions of astrophysical interest that have been observed in the interstellar medium (ISM), the circumgalactic medium (CGM), and the intergalactic medium (IGM), for selected elements ranging from C to Pb. Differences between the former and the newly recommended values are greater than 25% for approximately 22% of lines with updated oscillator strength values. We encourage future absorption line studies of the ISM, CGM, and IGM medium to use this compilation.This work was supported in part by NSF-AST/1108830, NASA/STScI support for HST GO-12536, and a NASA/SC Space Grant graduate fellowship.

  5. Bioavailability study of calcium sandoz-250 by atomic absorption spectroscopy in albino rats.

    Science.gov (United States)

    Patel, Bimalkumar N; Krishnaveni, N; Jivani, Nurrrudin P; Khodakiya, Akruti S; Khodakiya, Moorti S; Parida, Saswat K

    2014-01-01

    Calcium sandoz-250 is an Ayurvedic calcium supplement, containing Khatika Churna. Bioavailability study of the formulation is essential for estimation of peak plasma concentration (C max), time to C max and rate of absorption. To evaluate the absorption parameters of calcium sandoz-250 in albino rats by atomic absorption spectroscopic (AAS) method. Study was carried out as a single dose, open-label, randomized study. Estimation of calcium was carried out by AAS, after validating the method for a few parameters for the estimation. Pharmacokinetic parameters such as C max, time to peak concentration (T max), area under the plasma concentration - time curve were calculated for calcium on administration of calcium sandoz-250. Linearity curve was plotted for 0.5-2.5 ppm, given R (2) value 0.9975. The C max, i.e. C max after administration of calcium sandoz-250 was 0.793 mg/ml at 90 min (T max). Measurable calcium-blood levels were noticed in all subjects up to 3.0 h after administration of calcium sandoz-250. Calcium sandoz-250, consisting of Khatika Churna, increases the blood calcium level in albino rats.

  6. Resonant absorption induced fast melting studied with mid-IR QCLs.

    Science.gov (United States)

    Lu, Jie; Lv, Yankun; Ji, Youxin; Tang, Xiaoliang; Qi, Zeming; Li, Liangbin

    2017-02-01

    We demonstrate the use of a pump-probe setup based on two mid-infrared quantum cascade lasers (QCLs) to investigate the melting and crystallization of materials through resonant absorption. A combination of pump and probe beams fulfills the two-color synchronous detection. Furthermore, narrow linewidth advances the accuracy of measurements and the character of broad tuning range of QCLs enables wide applications in various sample and multiple structures. 1-Eicosene was selected as a simple model system to verify the feasibility of this method. A pulsed QCL was tuned to the absorption peak of CH2 bending vibration at 1467 cm-1 to resonantly heat the sample. The other QCL in continuous mode was tuned to 1643 cm-1 corresponding the C=C stretching vibration to follow the fast melting dynamics. By monitoring the transmission intensity variation of pump and probe beams during pump-probe experiments, the resonant absorption induced fast melting and re-crystallization of 1-Eicosene can be studied. Results show that the thermal effect and melting behaviors strongly depend on the pump wavelength (resonant or non-resonant) and energy, as well as the pump time. The realization and detection of melting and recrystallization can be performed in tens of milliseconds, which improves the time resolution of melting process study based on general mid-infrared spectrum by orders of magnitude. The availability of resonant heating and detections based on mid-infrared QCLs is expected to enable new applications in melting study.

  7. Mn K-edge XANES and Kbeta XES studies of two Mn-oxo binuclear complexes: investigation of three different oxidation states relevant to the oxygen-evolving complex of photosystem II.

    Science.gov (United States)

    Visser, H; Anxolabéhère-Mallart, E; Bergmann, U; Glatzel, P; Robblee, J H; Cramer, S P; Girerd, J J; Sauer, K; Klein, M P; Yachandra, V K

    2001-07-25

    Two structurally homologous Mn compounds in different oxidation states were studied to investigate the relative influence of oxidation state and ligand environment on Mn K-edge X-ray absorption near-edge structure (XANES) and Mn Kbeta X-ray emission spectroscopy (Kbeta XES). The two manganese compounds are the di-mu-oxo compound [L'2Mn(III)O2Mn(IV)L'2](ClO4)3, where L' is 1,10-phenanthroline (Cooper, S. R.; Calvin, M. J. Am. Chem. Soc. 1977, 99, 6623-6630) and the linear mono-mu-oxo compound [LMn(III)OMn(III)L](ClO4)2, where L- is the monoanionic N,N-bis(2-pyridylmethyl)-N'-salicylidene-1,2-diaminoethane ligand (Horner, O.; Anxolabéhère-Mallart, E.; Charlot, M. F.; Tchertanov, L.; Guilhem, J.; Mattioli, T. A.; Boussac, A.; Girerd, J.-J. Inorg. Chem. 1999, 38, 1222-1232). Preparative bulk electrolysis in acetonitrile was used to obtain higher oxidation states of the compounds: the Mn(IV)Mn(IV) species for the di-mu-oxo compound and the Mn(III)Mn(IV) and Mn(IV)Mn(IV) species for the mono-mu-oxo compound. IR, UV/vis, EPR, and EXAFS spectra were used to determine the purity and integrity of the various sample solutions. The Mn K-edge XANES spectra shift to higher energy upon oxidation when the ligand environment remains similar. However, shifts in energy are also observed when only the ligand environment is altered. This is achieved by comparing the di-mu-oxo and linear mono-mu-oxo Mn-Mn moieties in equivalent oxidation states, which represent major structural changes. The magnitude of an energy shift due to major changes in ligand environment can be as large as that of an oxidation-state change. Therefore, care must be exercised when correlating the Mn K-edge energies to manganese oxidation states without taking into account the nature of the ligand environment and the overall structure of the compound. In contrast to Mn K-edge XANES, Kbeta XES spectra show less dependence on ligand environment. The Kbeta1,3 peak energies are comparable for the di-mu-oxo and mono

  8. Ligand Exchange Reactions of a Monomeric Zirconium Carbonate Complex with Carboxylic Acids Studied by Extended X-ray Absorption Fine Structure, UV Absorption and Raman Spectrophotometry.

    Science.gov (United States)

    Takasaki, Fumiyuki; Fujiwara, Kazuhiko; Kikuchi, Tomomi; Tanno, Takenori; Nakajima, Yasushi; Toyoda, Yasunori; Ogawa, Nobuaki

    2017-01-01

    Ligand exchange reactions of a monomeric zirconium carbonate complex with carboxylic acids were studied by means of extended X-ray absorption fine structure (EXAFS), UV absorption spectrophotometry and Raman spectrometry. Three carboxylic acids, gluconic acid, and L-tartaric acid and citric acid, which are mono-, di- and tri-carboxylic acids, respectively, were employed in this study. These three carboxylic acids gave different spectral signatures and concentration dependences, respectively. In the gluconic acid system, the peaks on Fourier transform of EXAFS spectrum and Raman spectrum caused by carbonate ion coordinating to zirconium atom were obviously decreased with increasing gluconic acid concentration compared to the other two carboxylic acid systems. This indicates the high association ability of gluconic acid to zirconium, which was revealed by UV spectrophotometric analysis.

  9. Parametric study of power absorption from electromagnetic waves by small ferrite spheres

    Science.gov (United States)

    Englert, Gerald W.

    1989-01-01

    Algebraic expressions in terms of elementary mathematical functions are derived for power absorption and dissipation by eddy currents and magnetic hysteresis in ferrite spheres. Skin depth is determined by using a variable inner radius in descriptive integral equations. Numerical results are presented for sphere diameters less than one wavelength. A generalized power absorption parameter for both eddy currents and hysteresis is expressed in terms of the independent parameters involving wave frequency, sphere radius, resistivity, and complex permeability. In general, the hysteresis phenomenon has a greater sensitivity to these independent parameters than do eddy currents over the ranges of independent parameters studied herein. Working curves are presented for obtaining power losses from input to the independent parameters.

  10. A polarizable embedding DFT study of one-photon absorption in fluorescent proteins

    DEFF Research Database (Denmark)

    Beerepoot, Maarten; Steindal, Arnfinn H.; Kongsted, Jacob

    2013-01-01

    A theoretical study of the one-photon absorption of five fluorescent proteins (FPs) is presented. The absorption properties are calculated using a polarizable embedding approach combined with density functional theory (PE-DFT) on the wild-type green fluorescent protein (wtGFP) and several of its...... mutants (BFP, eGFP, YFP and eCFP). The observed trends in excitation energies among the FPs are reproduced by our approach when performing calculations directly on the crystal structures or when using structures extracted from a molecular dynamics simulations. However, in the former case, QM/MM geometry...... optimization of the chromophores within a frozen protein environment is needed in order to reproduce the experimental trends. Explicit account of polarization in the force field is not needed to yield the correct trend between the different FPs, but is necessary for reproducing the experimentally observed red...

  11. Hierarchical Decomposition Thermodynamic Approach for the Study of Solar Absorption Refrigerator Performance

    Directory of Open Access Journals (Sweden)

    Emma Berrich Betouche

    2016-03-01

    Full Text Available A thermodynamic approach based on the hierarchical decomposition which is usually used in mechanical structure engineering is proposed. The methodology is applied to an absorption refrigeration cycle. Thus, a thermodynamic analysis of the performances on solar absorption refrigerators is presented. Under the hypothesis of an endoreversible model, the effects of the generator, the solar concentrator and the solar converter temperatures, on the coefficient of performance (COP, are presented and discussed. In fact, the coefficient of performance variations, according to the ratio of the heat transfer areas of the high temperature part (the thermal engine 2 Ah and the heat transfer areas of the low temperature part (the thermal receptor Ar variations, are studied in this paper. For low values of the heat-transfer areas of the high temperature part and relatively important values of heat-transfer areas of the low temperature part as for example Ah equal to 30% of Ar, the coefficient of performance is relatively important (approximately equal to 65%. For an equal-area distribution corresponding to an area ratio Ah/Ar of 50%, the COP is approximately equal to 35%. The originality of this deduction is that it allows a conceptual study of the solar absorption cycle.

  12. Annealing effect on nano-ZnO powder studied from positron lifetime and optical absorption spectroscopy

    Science.gov (United States)

    Dutta, Sreetama; Chattopadhyay, S.; Jana, D.; Banerjee, A.; Manik, S.; Pradhan, S. K.; Sutradhar, Manas; Sarkar, A.

    2006-12-01

    Mechanical milling and subsequent annealing in air at temperatures between 210 and 1200°C have been carried out on high purity ZnO powder to study the defect generation and recovery in the material. Lowering of average grain size (from 76±1to22±0.5nm) as a result of milling has been estimated from the broadening of x-ray lines. Substantial grain growth in the milled sample occurs above 425°C annealing temperature. Positron annihilation lifetime (PAL) analysis of the samples shows a distinct decrease of the average lifetime of positrons very near the same temperature zone. As indicated from both x-ray diffraction (XRD) and PAL results, high temperature (>700°C) annealed samples have a better crystallinity (or lower defect concentration) than even the nonmilled ZnO. In contrast, the measured optical band gap of the samples (from absorption spectroscopy) does not confirm lowering of defects with high temperature annealing. Thermally generated defects at oxygen sites cause significant modification of the optical absorption; however, they are not efficient traps for positrons. Different thermal stages of generation and recovery of cationic as well as anionic defects in granular ZnO are discussed in the light of XRD, PAL, and optical absorption studies.

  13. Comparison of Flurbiprofen Tablets Available In Pakistani Market and Their Absorption Studies

    Directory of Open Access Journals (Sweden)

    Muhammad Hanif

    2015-06-01

    Full Text Available AbstractThe aim of this present work was to compare different parameters of various brands of flurbiprofen tablets collected from different retail pharmacies in the local market of Pakistan. Four brands A, B, C and D were tested for weight variation, hardness, friability, disintegration dissolution, HPLC assay and in vitro absorption studies in rabbit skin, stomach and intestine by using the prepacked Column RT 250-4.6 Purospher® STAR RP-18 end capped (5 µm and acetonitrile, phosphate buffer (pH 3.7 as mobile phase in the ratio of 1:1. Flurbiprofen was detected at 265 nm at the flow rate of 1 ml/min. Brand B was considered as reference. Similarity factor (f2 of brand B and C and brand B & D was found to be 61 and 51 and dissimilarity factors (f1 values were 5 and 9 respectively in same dissolution medium. Model dependent methods First order, Hixon crowell and Weibull model were used. The method was found to be sensitive and linear in the range of 10 to 700 ppm with 0.999 coefficient of correlation. Everted sac absorption studies of selected formulation showed 50% of drug absorption from stomach in first 3 hours, 21% through intestine and very negligible through skin.

  14. An experimental study of the flow in a wing with a partial span drooped leading edge

    Science.gov (United States)

    Winkelmann, A. E.; Tsao, C. P.

    1981-01-01

    The flow field produced by a low aspect ratio wing (AR = 3.0) with a partial span leading edge droop was investigated in a series of low speed wind tunnel tests (Reynolds number based on 17.8 cm chord = 560,000). Photographs were obtained of surface oil flow patterns over an angle of attack range of alpha = 0 to 29 deg. Flow field surveys of the partially stalled wing at alpha = 25 deg were completed using a hot-wire probe, a split-film probe and a Conrad probe. The flow field survey data was presented using a color video display. The data indicated regions of apparent reversed flow in the separation region behind the wing and indicated the general cross-sectional shape of the separated wake flow.

  15. Edge localized linear ideal magnetohydrodynamic instability studies in an extended-magnetohydrodynamic code

    Science.gov (United States)

    Burke, B. J.; Kruger, S. E.; Hegna, C. C.; Zhu, P.; Snyder, P. B.; Sovinec, C. R.; Howell, E. C.

    2010-03-01

    A linear benchmark between the linear ideal MHD stability codes ELITE [H. R. Wilson et al., Phys. Plasmas 9, 1277 (2002)], GATO [L. Bernard et al., Comput. Phys. Commun. 24, 377 (1981)], and the extended nonlinear magnetohydrodynamic (MHD) code, NIMROD [C. R. Sovinec et al.., J. Comput. Phys. 195, 355 (2004)] is undertaken for edge-localized (MHD) instabilities. Two ballooning-unstable, shifted-circle tokamak equilibria are compared where the stability characteristics are varied by changing the equilibrium plasma profiles. The equilibria model an H-mode plasma with a pedestal pressure profile and parallel edge currents. For both equilibria, NIMROD accurately reproduces the transition to instability (the marginally unstable mode), as well as the ideal growth spectrum for a large range of toroidal modes (n =1-20). The results use the compressible MHD model and depend on a precise representation of "ideal-like" and "vacuumlike" or "halo" regions within the code. The halo region is modeled by the introduction of a Lundquist-value profile that transitions from a large to a small value at a flux surface location outside of the pedestal region. To model an ideal-like MHD response in the core and a vacuumlike response outside the transition, separate criteria on the plasma and halo Lundquist values are required. For the benchmarked equilibria the critical Lundquist values are 108 and 103 for the ideal-like and halo regions, respectively. Notably, this gives a ratio on the order of 105, which is much larger than experimentally measured values using Te values associated with the top of the pedestal and separatrix. Excellent agreement with ELITE and GATO calculations are made when sharp boundary transitions in the resistivity are used and a small amount of physical dissipation is added for conditions very near and below marginal ideal stability.

  16. Slim edge studies, design and quality control of planar ATLAS IBL pixel sensors

    Energy Technology Data Exchange (ETDEWEB)

    Wittig, Tobias

    2013-05-08

    One of the four large experiments at the LHC at CERN is the ATLAS detector, a multi purpose detector. Its pixel detector, composed of three layers, is the innermost part of the tracker. As it is closest to the interaction point, it represents a basic part of the track reconstruction. Besides the requested high resolution one main requirement is the radiation hardness. In the coming years the radiation damage will cause deteriorations of the detector performance. With the planned increase of the luminosity, especially after the upgrade to the High Luminosity LHC, this radiation damage will be even intensified. This circumstance necessitates a new pixel detector featuring improved radiation hard sensors and read-out chips. The present shutdown of the LHC is already utilized to insert an additional b-layer (IBL) into the existing ATLAS pixel detector. The current n-in-n pixel sensor design had to be adapted to the new read-out chip and the module specifications. The new stave geometry requests a reduction of the inactive sensor edge. In a prototype wafer production all modifications have been implemented. The sensor quality control was supervised which led to the decision of the final sensor thickness. In order to evaluate the performance of the sensor chip assemblies with an innovative slim edge design, they have been operated in test beam setups before and after irradiation. Furthermore, the quality control of the planar IBL sensor wafer production was supervised from the stage of wafer delivery to that before the flip chip process to ensure a sufficient amount of functional sensors for the module production.

  17. X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials

    Energy Technology Data Exchange (ETDEWEB)

    DeWitt, Jane G. [Stanford Univ., CA (United States)

    1992-12-01

    The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 Å. The Fe-Fe distance was determined to be 3.4 Å. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

  18. X-ray absorption spectroscopic studies of the dinuclear iron center in methane monooxygenase and the sulfure and chlorine centers in photographic materials

    Energy Technology Data Exchange (ETDEWEB)

    DeWitt, J.G.

    1992-12-01

    The dinuclear iron center of the hydroxylase component of soluble methane monooxygenase (MMO) from Methylococcus capsulatus and Methylosinus trichosporiwn has been studied by X-ray absorption spectroscopy. Analysis of the Fe K-edge EXAFS revealed that the first shell coordination of the Fe(HI)Fe(IH) oxidized state of the hydroxylase from M. capsulatus consists of approximately 6 N and 0 atoms at an average distance of 2.04 [Angstrom]. The Fe-Fe distance was determined to be 3.4 [Angstrom]. No evidence for the presence of a short oxo bridge in the iron center of the oxidized hydroxylase was found, suggesting that the active site of MMO is significantly different from the active sites of the dinuclear iron proteins hemery and ribonucleotide reductase. In addition, the results of the first shell fits suggest that there are more oxygen than nitrogen donor ligands.

  19. Radial electric field studies in the plasma edge of ASDEX upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Viezzer, Eleonora

    2012-12-18

    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{sub r}. The gradients in E{sub 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{sub r} profile. The radial electric field has been derived from charge exchange spectra measured on different impurity species including He{sup 2+}, B{sup 5+}, C{sup 6+} and Ne{sup 10+}. The resulting E{sub 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{sub r} profile forms a deep

  20. Ultraviolet photochemical reaction of [Fe(III(C2O43]3− in aqueous solutions studied by femtosecond time-resolved X-ray absorption spectroscopy using an X-ray free electron laser

    Directory of Open Access Journals (Sweden)

    Y. Ogi

    2015-05-01

    Full Text Available Time-resolved X-ray absorption spectroscopy was performed for aqueous ammonium iron(III oxalate trihydrate solutions using an X-ray free electron laser and a synchronized ultraviolet laser. The spectral and time resolutions of the experiment were 1.3 eV and 200 fs, respectively. A femtosecond 268 nm pulse was employed to excite [Fe(III(C2O43]3− in solution from the high-spin ground electronic state to ligand-to-metal charge transfer state(s, and the subsequent dynamics were studied by observing the time-evolution of the X-ray absorption spectrum near the Fe K-edge. Upon 268 nm photoexcitation, the Fe K-edge underwent a red-shift by more than 4 eV within 140 fs; however, the magnitude of the redshift subsequently diminished within 3 ps. The Fe K-edge of the photoproduct remained lower in energy than that of [Fe(III(C2O43]3−. The observed red-shift of the Fe K-edge and the spectral feature of the product indicate that Fe(III is upon excitation immediately photoreduced to Fe(II, followed by ligand dissociation from Fe(II. Based on a comparison of the X-ray absorption spectra with density functional theory calculations, we propose that the dissociation proceeds in two steps, forming first [(CO2•Fe(II(C2O42]3− and subsequently [Fe(II(C2O42]2−.

  1. Effect of magnetic boundary on edge plasma profiles studied using probe measurements in EXTRAP T2R

    OpenAIRE

    Moustaphawi, Hawra

    2012-01-01

    In this Master’s thesis project, several experiments are conducted under three different conditions in order to study their effect on the edge plasma profiles. In the first case, the standard case, there is no external interference and the plasma is studied under normal lab environments. In the second case, the plasma position inside the EXTRAP T2R device is changed by a few millimeters and in the third case a magnetic boundary is inserted into the experiment. For each set of the experiment, ...

  2. X-ray absorption and infrared spectra of water and ice: A first-principles electronic structure study

    Science.gov (United States)

    Chen, Wei

    Water is of essential importance for chemistry and biology, yet the physics concerning many of its distinctive properties is not well known. In this thesis we present a theoretical study of the x-ray absorption (XA) and infrared (IR) spectra of water in liquid and solid phase. Our theoretical tools are the density functional theory (DFT), Car-Parrinello (CP) molecular dynamics (MD), and the so-called GW method. Since a systematic review of these ab initio methods is not the task of this thesis, we only briefly recall the main concepts of these methods as needed in the course of our exposition. The focus is, instead, an investigation of what is the important physics necessary for a better description of these excitation processes, in particular, core electron excitations (in XA) that reveal the local electronic structure, and vibrational excitations (in IR) associated to the molecular dynamics. The most interesting question we are trying to answer is: as we include better approximations and more complete physical descriptions of these processes, how do the aforementioned spectra reflect the underlying hydrogen-bonding network of water? The first part of this thesis consists of the first four chapters, which focus on the study of core level excitation of water and ice. The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, even the small effects of a temperature change in the liquid, are reproduced with quantitative detail using molecular configurations generated by ab initio molecular dynamics. We find that the spectral shape is controlled by two major modifications of the short range order that mark the transition from ice to water. One is associated to dynamic breaking of the hydrogen bonds which leads to a strong enhancement of the pre-edge intensity in the liquid. The other is due to densification, which follows the partial collapse of the hydrogen bond network and is

  3. X-Ray Absorption Spectroscopic Studies of High-Spin Nonheme (Alkylperoxo)Iron(III) Intermediates

    Energy Technology Data Exchange (ETDEWEB)

    Shan, X.; Rohde, J.-U.; Koehntop, K.D.; Zhou, Y.; Bukowski, M.R.; Costas, M.; Fujisawa, K.; Que, L.; Jr.

    2009-06-04

    The reactions of iron(II) complexes [Fe(Tp{sup t-Bu,i-Pr})(OH)] (1a, Tp{sup t-Bu,i-Pr} = hydrotris(3-tert-butyl-5-isopropyl-1-pyrazolyl)borate), [Fe(6-Me{sub 2}BPMCN)(OTf){sub 2}] (1b, 6-Me{sub 2}BPMCN = N,N'-bis((2-methylpyridin-6-yl)methyl)-N,N'-dimethyl-trans-1,2-diaminocyclohexane), and [Fe(L{sup 8}Py{sub 2})(OTf)](OTf) (1c, L{sup 8}Py{sub 2} = 1,5-bis(pyridin-2-ylmethyl)-1,5-diazacyclooctane) with tert-BuOOH give rise to high-spin Fe{sup III}-OOR complexes. X-ray absorption spectra (XAS) of these high-spin species show characteristic features, distinct from those of low-spin Fe-OOR complexes (Rohde, J.-U.; et al. J. Am. Chem. Soc. 2004, 126, 16750--16761). These include (1) an intense 1s {yields} 3d preedge feature, with an area around 20 units, (2) an edge energy, ranging from 7122 to 7126 eV, that is affected by the coordination environment, and (3) a 1.86--1.96 {angstrom} Fe-OOR bond, compared to the 1.78 {angstrom} Fe-OOR bond in low-spin complexes. These unique features likely arise from a flexible first coordination sphere in those complexes. The difference in Fe-OOR bond length may rationalize differences in reactivity between low-spin and high-spin Fe{sup III}-OOR species.

  4. VO2+ ions in zinc lead borate glasses studied by EPR and optical absorption techniques.

    Science.gov (United States)

    Prakash, P Giri; Rao, J Lakshmana

    2005-09-01

    Electron paramagnetic resonance (EPR) and optical absorption spectra of vanadyl ions in zinc lead borate (ZnO-PbO-B2O3) glass system have been studied. EPR spectra of all the glass samples exhibit resonance signals characteristic of VO2+ ions. The values of spin-Hamiltonian parameters indicate that the VO2+ ions in zinc lead borate glasses were present in octahedral sites with tetragonal compression and belong to C4V symmetry. The spin-Hamiltonian parameters g and A are found to be independent of V2O5 content and temperature but changing with ZnO content. The decrease in Deltag( parallel)/Deltag( perpendicular) value with increase in ZnO content indicates that the symmetry around VO2+ ions is more octahedral. The decrease in intensity of EPR signal above 10 mol% of V2O5 is attributed to a fall in the ratio of the number of V4+ ions (N4) to the number of V5+ ions (N5). The number of spins (N) participating in resonance was calculated as a function of temperature for VO2+ doped zinc lead borate glass sample and the activation energy was calculated. From the EPR data, the paramagnetic susceptibility was calculated at various temperatures and the Curie constant was evaluated from the 1/chi-T graph. The optical absorption spectra show single absorption band due to VO2+ ions in tetragonally distorted octahedral sites.

  5. Studies on absorption of EC waves in assisted startup experiment on FTU

    Directory of Open Access Journals (Sweden)

    Ramponi G.

    2012-09-01

    Full Text Available Assistance of EC wave for plasma breakdown and current ramp up is the proposed scenario for the ITER case, characterized by low toroidal electric field. The experimental results on many tokamaks clearly indicate the capabilities of the proposed scheme to have a robust breakdown in ITER. The key aspect of this technique is the EC power required, strongly related to the absorption of the wave in the initial stage of plasma formation. This aspect is generally neglected due to the diagnostics difficulties in the plasma formation phase. As a consequence a multi-pass absorption scheme is usually considered reasonable, leading to a strong absorption after many reflections on the walls. The present study exploits the high temporal and spatial resolution of the fast scanning interferometer of FTU together with the measure of residual power obtained by a sniffer probe. The absorbed EC power is calculated considering also the polarization rotation and the subsequent mode conversion after incidence on the internal wall and compared with that derived from experimental data. The resulting EC power distribution can explain differences observed between perpendicular and oblique injection results, indicating future investigations to define ITER power requirements.

  6. Preparation of cationic starch microspheres and study on their absorption to anionic-type substance.

    Science.gov (United States)

    Zheng, Jie; Wang, YaNan; Feng, ZuoShan; Kuang, ZeMin; Zhao, DeZhou; Jiao, XueMin

    2015-01-01

    Cationic starch microspheres (CSMs) were prepared from lab-made neutral starch-based microspheres using a cationic adsorbent, namely 3-chloro-2-hydroxypropyltrimethyl ammonium chloride, as the cationic etherifying agent. Detection by scanning electron microscopy, Fourier transform infrared spectroscopy (FTIR), and laser diffraction techniques revealed that CSMs had coarse surfaces with good sphericity and dispersibility. Differential thermal analysis showed the lower thermostability of the CSMs' main chains. Furthermore, scores of experiments confirmed that CSMs are capable of absorption to N-(phosphonomethyl) iminodiacetic acid (PMIDA), a type of anionic substance, which is the intermediate to the preparation of glyphosate, maximally up to 95.24 mg/g. Compared with the Freundlich isotherm model, the Langmuir isotherm model can better describe the absorption process. The kinetic study showed that the pseudo-second-order model demonstrated a better correlation of the experimental data in contrast with the pseudo-first-order model. It can be therefore concluded that the rate-limiting step was the chemical absorption rather than the mass transport.

  7. X-ray absorption studies of the effect of plasticizers on ion-pair dissociation in a poly(ethylene oxide)-potassium salt complex

    Energy Technology Data Exchange (ETDEWEB)

    Yang, X.Q.; Lee, H.S.; McBreen, J. [Brookhaven National Lab., Upton, NY (United States); Xu, Z.S.; Skotheim, T.A. [Moltech Corp., Stony Brook, NY (United States); Okamoto, Y. [Polytechnic Univ., Brooklyn, NY (United States); Lu, F. [Univ. of Kentucky, Lexington, KY (United States)

    1994-12-31

    Polyethylene oxide (PEO)-salt systems are an important new class of electrolytes that are being considered for use in high specific energy rechargeable lithium batteries. Near-edge x-ray absorption fine structure (NEXAFS) spectra, at the potassium K-edge, were obtained for the following systems: a potassium salt in (1) a propylene carbonate (PC) solution, (2) a modified carbonate (MC3) solution and (3) in a poly(ethylene oxide) (PEO)-potassium salt complexes having either PC or MC3 as a plasticizer. MC3 is similar to PC except that, instead of a methyl group, there are three ethylene oxide units attached to the 4-position. The degree of white line splitting was used to study ion pair dissociation effects of PC and MC3 qualitatively. When used as a solvent, MC3 has a stronger ion pair dissociation effect compared to PC. When used as a plasticizer in a PEO-potassium salt complex, the enhancement effect an ion pair dissociation of MC3 is superior to PC. This is in good agreement with temperature conductivity study.

  8. Structural studies of advanced functional materials by synchrotron-based x-ray absorption spectroscopy: BL5.2 at SLRI, Thailand

    Science.gov (United States)

    Kidkhunthod, Pinit

    2017-09-01

    This paper highlights the use of the x-ray absorption spectroscopy (XAS) as a local structural tool unlike x-ray diffraction for selected atoms in advanced functional materials including energy storage materials, dielectric materials and thermoelectric materials. The information concerning the oxidation states and local atomic structure around probing atoms will be revealed using x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS). The XAS beamline: BL5.2 at the Synchrotron Light Research Institute (SLRI) (public organization), Thailand, and its characteristic including available of measured energy ranges, examples of measured spectra of Mg, S and Ti K-edge XAS are also presented. In addition, in situ XAS set up and experiment carried out at this beamline are also outlined. Invited talk at 5th Thailand International Nanotechnology Conference (Nano Thailand-2016), 27-29 November 2016, Nakhon Ratchasima, Thailand.

  9. In-situ x-ray absorption study of copper films in ground watersolutions

    Energy Technology Data Exchange (ETDEWEB)

    Kvashnina, K.O.; Butorin, S.M.; Modin, A.; Soroka, I.; Marcellini, M.; Nordgren, J.; Guo, J.-H.; Werme, L.

    2007-10-29

    This study illustrates how the damage from copper corrosion can be reduced by modifying the chemistry of the copper surface environment. The surface modification of oxidized copper films induced by chemical reaction with Cl{sup -} and HCO{sub 3}{sup -} in aqueous solutions was monitored by in situ X-ray absorption spectroscopy. The results show that corrosion of copper can be significantly reduced by adding even a small amount of sodium bicarbonate. The studied copper films corroded quickly in chloride solutions, whereas the same solution containing 1.1 mM HCO{sub 3}{sup -} prevented or slowed down the corrosion processes.

  10. Study of Cutting Edge Temperature and Cutting Force of End Mill Tool in High Speed Machining

    Directory of Open Access Journals (Sweden)

    Kiprawi Mohammad Ashaari

    2017-01-01

    Full Text Available A wear of cutting tools during machining process is unavoidable due to the presence of frictional forces during removing process of unwanted material of workpiece. It is unavoidable but can be controlled at slower rate if the cutting speed is fixed at certain point in order to achieve optimum cutting conditions. The wear of cutting tools is closely related with the thermal deformations that occurred between the frictional contact point of cutting edge of cutting tool and workpiece. This research paper is focused on determinations of relationship among cutting temperature, cutting speed, cutting forces and radial depth of cutting parameters. The cutting temperature is determined by using the Indium Arsenide (InAs and Indium Antimonide (InSb photocells to measure infrared radiation that are emitted from cutting tools and cutting forces is determined by using dynamometer. The high speed machining process is done by end milling the outer surface of carbon steel. The signal from the photocell is digitally visualized in the digital oscilloscope. Based on the results, the cutting temperature increased as the radial depth and cutting speed increased. The cutting forces increased when radial depth increased but decreased when cutting speed is increased. The setup for calibration and discussion of the experiment will be explained in this paper.

  11. Computational Fluid Dynamics Simulation Study of a Novel Membrane Contactor for Simultaneous Carbon Dioxide Absorption and Stripping

    Directory of Open Access Journals (Sweden)

    Hsuan Chang

    2017-08-01

    Full Text Available Physical absorption is a potential technology for economic carbon capture due to its low energy consumption, however, the absorption efficiency of current systems must be improved. In this study, novel hybrid absorption/stripping membrane contactors (HASMCs for physical solvent carbon capture are proposed. The simultaneous absorption and stripping within one module provides instant regeneration of the solvent and results in the enhancement of absorption. HASMCs with parallel-flow and cross-flow configurations and using empty or spacer-filled channels are investigated by rigorous computational fluid dynamics simulation. The internal profiles of transmembrane mass fluxes reveal that cross-flow HASMCs are much more effective than the parallel-flow ones and the modules using spacer-filled channels give better performance than the ones using empty channels. The mass transfer coefficients of HASMCs are much higher than predicted by correlations in the literature.

  12. Origin of the pre-edge structure at the Al K-edge: The role of atomic vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Cabaret, Delphine; Brouder, Christian, E-mail: Delphine.Cabaret@impmc.jussieu.f [Institut de Mineralogie et Physique des Milieux Condenses, UMR 7590 CNRS, Universite Pierre et Marie Curie, Universite Paris Diderot, IPGP, IRD, 140 rue de Lourmel, 75015 Paris (France)

    2009-11-15

    We present a detailed analysis of the pre-edge peak present in the Al K-edge XANES spectra of corundum ({alpha}-Al{sub 2}O{sub 3}) and diaspore ({alpha}-AlOOH), as measured at room temperature. This is achieved by XANES and DOS calculations performed using the density functional theory in a pseudopotential plane-wave framework. The XANES calculations carried out for the equilibrium atomic positions do not reproduce the pre-edge of corundum and partially reproduce it in the case of diaspore. It is shown that the electronic transitions occuring in the pre-edge involves the 3s empty states of the aluminium absorbing atom. The Al 3s states can be probed in the electric dipole approximation via a p-s mixing, which is possible only if the Al site is not centrosymmetric. Although Al does not occupy an inversion center in the two minerals under study, the p-s mixing is too weak to provide a pre-edge feature in good agreement with experiment. The deviation from centrosymmetry can be enhanced by the atomic vibrations. We develop a theory that takes into account the atomic vibrations directly in the calculation of the absorption cross section, based on the Born-Oppenheimer approximation. This theory is applied to corundum and diaspore and yields satisfactory results in the pre-edge region.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-07-01

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

  14. Studies of Microwave Absorption in Liquids by Optical Heterodyne Detection of Thermally Induced Refractive Index Fluctuations.

    Science.gov (United States)

    Swicord, Mays Littleton

    nature. This is particularly true in those cases where the effect is responsive to modulation or to peak rather than average power. Such effects suggest direct interaction of the incident field with biologically significant molecules. Such direct interaction and excitation could result in conformational changes which in turn could affect molecular function. The possibility of such an interaction process was the prime motivation for developing microwave spectroscopic methods for liquid solutions. Spectroscopic studies in the X-band frequency range are here reported on organic liquid solutions and on DHA in solution. Direct interaction and absorption of microwave radiation by the DNA molecule was observed. This absorption was found to be substantially greater than that of water. Comparative measurements were made using methods of dielectrometry. The development of an appropriate means for coupling microwave energy into the liquid sample required a theoretical analysis of several probe/antenna configurations. One probe experimentally used and theoretically analyzed was an open ended coaxial transmission line. Although this probe was experimentally convenient, theoretical examination indicated that analysis of the resulting data would be extremely complicated, if not impossible. The theoretical analysis, however, yielded information on absorption of energy in a lossy medium surrounding the coax, which should be helpful to those using such probes in the hyperthermic treatment of tumors. Therefore, these theoretical results are presented in some detail.

  15. A randomized controlled study for evaluation of psyllium effects on kinetics of carbohydrate absorption

    Directory of Open Access Journals (Sweden)

    Mansour Siavash

    2007-07-01

    Full Text Available

    BACKGROUND: This study was performed to evaluate the effects of psyllium on kinetics of alimentary carbohydrate absorption in diet-treated type 2 diabetic patients.
    METHODS: This was a double blind, prospective, controlled clinical trial. Twelve patients (6 in each group participated in the present study. After an overnight fast, a standard 435 kcal breakfast was given to participants. Fasting, 1- and 2- hour postprandial plasma glucose was measured in the case and control groups. Cow’s milk containing 5 grams of psyllium granules for the case and without psyllium for the control groups was also delivered.
    RESULTS: Plasma glucose changes in the first hour were significantly different between control and case groups (53.8 versus 17.8 respectively, P = 0.037. Also, mean 2-hour postprandial plasma glucose was 167.67 and 117.67 mg/dl for control and case groups, respectively (P = 0.05.
    CONCLUSIONS: This pilot study revealed that psyllium may effectively reduce postprandial plasma glucose possibly by retarding GI carbohydrate absorption. Larger studies are needed to confirm the results of this study and define its role compared to acarbose or meglitinides.
    KEYWORDS: Psyllium, postprandial hyperglycemia, type 2 diabetes mellitus.

  16. Ultrafast transient absorption studies of hematite nanoparticles: the effect of particle shape on exciton dynamics.

    Science.gov (United States)

    Fitzmorris, Bob C; Patete, Jonathan M; Smith, Jacqueline; Mascorro, Xiomara; Adams, Staci; Wong, Stanislaus S; Zhang, Jin Z

    2013-10-01

    Much progress has been made in using hematite (α-Fe2 O3 ) as a potentially practical and sustainable material for applications such as solar-energy conversion and photoelectrochemical (PEC) water splitting; however, recent studies have shown that the performance can be limited by a very short charge-carrier diffusion length or exciton lifetime. In this study, we performed ultrafast studies on hematite nanoparticles of different shapes to determine the possible influence of particle shape on the exciton dynamics. Nanorice, multifaceted spheroidal nanoparticles, faceted nanocubes, and faceted nanorhombohedra were synthesized and characterized by using SEM and XRD techniques. Their exciton dynamics were investigated by using femtosecond transient absorption (TA) spectroscopy. Although the TA spectral features differ for the four samples studied, their decay profiles are similar, which can be fitted with time constants of 1-3 ps, approximately 25 ps, and a slow nanosecond component extending beyond the experimental time window that was measured (2 ns). The results indicate that the overall exciton lifetime is weakly dependent on the shape of the hematite nanoparticles, even though the overall optical absorption and scattering are influenced by the particle shape. This study suggests that other strategies need to be developed to increase the exciton lifetime or to lengthen the exciton diffusion length in hematite nanostructures. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Ultrafast relaxation dynamics of nitric oxide synthase studied by visible broadband transient absorption spectroscopy

    Science.gov (United States)

    Hung, Chih-Chang; Yabushita, Atsushi; Kobayashi, Takayoshi; Chen, Pei-Feng; Liang, Keng S.

    2017-09-01

    Ultrafast dynamics of endothelial nitric oxide synthase (eNOS) oxygenase domain was studied by transient absorption spectroscopy pumping at Soret band. The broadband visible probe spectrum has visualized the relaxation dynamics from the Soret band to Q-band and charge transfer (CT) band. Supported by two-dimensional correlation spectroscopy, global fitting analysis has successfully concluded the relaxation dynamics from the Soret band to be (1) electronic transition to Q-band (0.16 ps), (2) ligand dissociation and CT (0.94 ps), (3) relaxation of the CT state (4.0 ps), and (4) ligand rebinding (59 ps).

  18. Human in vivo and in vitro studies on gastrointestinal absorption of titanium dioxide nanoparticles.

    Science.gov (United States)

    Jones, Kate; Morton, Jackie; Smith, Ian; Jurkschat, Kerstin; Harding, Anne-Helen; Evans, Gareth

    2015-03-04

    The study was designed to conduct human in vivo and in vitro studies on the gastrointestinal absorption of nanoparticles, using titanium dioxide as a model compound, and to compare nanoparticle behaviour with that of larger particles. A supplier's characterisation data may not fully describe a particle formulation. Most particles tested agreed with their supplied characterisation when assessed by particle number but significant proportions of 'nanoparticle formulations' were particles >100nm when assessed by particle weight. Oral doses are measured by weight and it is therefore important that the weight characterisation is taken into consideration. The human volunteer studies demonstrated that very little titanium dioxide is absorbed gastrointestinally after an oral challenge. There was no demonstrable difference in absorption for any of the three particle sizes tested. All tested formulations were shown to agglomerate in simulated gastric fluid, particularly in the smaller particle formulations. Further agglomeration was observed when dispersing formulations in polymeric or elemental foods. Virtually no translocation of titanium dioxide particles across the cell layer was demonstrated. This study found no evidence that nanoparticulate titanium dioxide is more likely to be absorbed in the gut than micron-sized particles. Crown Copyright © 2015. Published by Elsevier Ireland Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2018-03-01

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

  20. In situ X-ray absorption fine structure studies of a manganese dioxide electrode in a rechargeable MnO{sub 2}/Zn alkaline battery environment

    Energy Technology Data Exchange (ETDEWEB)

    Mo, Y.; Hu, Y.; Bae, I.T.; Miller, B.; Scherson, D.A. [Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Chemistry; Antonio, M.R. [Argonne National Lab., IL (United States). Chemistry Div.

    1996-12-31

    Electronic and structural aspects of a MnO{sub 2} electrode in a rechargeable MnO{sub 2}/Zn battery environment have been investigated by in situ Mn K-edge X-ray absorption fine structure (XAFS). The relative amplitudes of the three major Fourier transform shells of the EXAFS (extended XAFS) function of the rechargeable MnO{sub 2} electrode in the undischarged state were found to be similar to those found for ramsdellite, a MnO{sub 2} polymorph with substantial corner-sharing linkages among the basic MnO{sub 6} octahedral units. The analyses of the background-subtracted pre-edge peaks and absorption edge regions for the nominally 1-e{sup {minus}} discharged electrode were consistent with Mn{sup 3+} as being the predominant constituent species, rather than a mixture of Mn{sup 4+} and Mn{sup 2+} sites. Furthermore, careful inspection of both the XANES (X-ray absorption near edge structure) and EXAFS indicated that the full recharge of MnO, which had been previously discharged either by a 1- or 2-equivalent corner-sharing linkages compared to the original undischarged MnO{sub 2}.

  1. The safety of nanocrystalline silver dressings on burns: a study of systemic silver absorption.

    Science.gov (United States)

    Vlachou, Evangelia; Chipp, Elizabeth; Shale, Elizabeth; Wilson, Yvonne T; Papini, Remo; Moiemen, Naiem S

    2007-12-01

    Wound dressings containing silver have been in widespread use for many years. However, there are few quantitative data on the systemic absorption of silver or whether there is associated clinical risk. To assess systemic silver levels when Acticoat dressings containing nanocrystalline silver were used, and to determine whether increases in such levels were associated with haematological or biochemical indicators of toxicity. A prospective, single-centre, open-label study of 30 patients with relatively small burns that required skin grafting. Serum silver levels were measured before, during and at discontinuation of the use of the Acticoat dressings, and again at 3 and 6 months following completion of treatment. The median total postoperative wound size was 12% of the total body surface area. The median time to maximum silver levels was 9 days. The median maximum serum silver level was 56.8 microg/l. The median serum level at 6 months was 0.8 microg/l. There were no haematological or biochemical indicators of toxicity associated with the silver absorption observed in this study. This study has confirmed our view that Acticoat products are safe for use on burns and they remain a standard part of treatment at our centre.

  2. Construction of Depth-Structure Shelf-edge Map for Case Study of Kujung Formation, East Java Sea

    Directory of Open Access Journals (Sweden)

    Saifatur Rusli

    2010-10-01

    Full Text Available In general, reflection seismic method has capability to represent sub-surface in time domain. Seismic cross-section that depicts the formation of sub-surface usually use time domain in the format of TWT (Two Way Times. This due to in the process of seismic data acquisition, seismic wave propagates in down-going and up-going manner so that the obtained results from data processing are in the format of TWT seismic vs. shot points. This paper will describe the construction of depth-structure map for case study of Kujung Formation, East Java Sea, as exploration activities of oil companies in Indonesia. Manual data is peaked from seismic cross section and crossed with Vrms data of 3 wells in exploration location. TWT Shelf-edge map of Kujung Formation is divided into 2 parts and the results is crossed with velocitystructure map using Geoframe software CPS-3 so that depth-structure of shelf-edge of Kujung Formation, East Java Sea, is obtained. One of the objectives of this map construction is to get more real visualization of sub surface by using depth domain approach and as sustainable exploration activities of oil companies in Indonesia

  3. Proposing a Caco-2/HepG2 cell model for in vitro iron absorption studies.

    Science.gov (United States)

    Scheers, Nathalie M; Almgren, Annette B; Sandberg, Ann-Sofie

    2014-07-01

    The Caco-2 cell line is well established as an in vitro model for iron absorption. However, the model does not reflect the regulation of iron absorption by hepcidin produced in the liver. We aimed to develop the Caco-2 model by introducing human liver cells (HepG2) to Caco-2 cells. The Caco-2 and HepG2 epithelia were separated by a liquid compartment, which allowed for epithelial interaction. Ferritin levels in cocultured Caco-2 controls were 21.7±10.3 ng/mg protein compared to 7.7±5.8 ng/mg protein in monocultured Caco-2 cells. The iron transport across Caco-2 layers was increased when liver cells were present (8.1%±1.5% compared to 3.5%±2.5% at 120 μM Fe). Caco-2 cells were exposed to 0, 80 and 120 μM Fe and responded with increased hepcidin production at 120 μM Fe (3.6±0.3 ng/ml compared to 2.7±0.3 ng/ml). The expression of iron exporter ferroportin in Caco-2 cells was decreased at the hepcidin concentration of 3.6 ng/ml and undetectable at external addition of hepcidin (10 ng/ml). The apical transporter DMT1 was also undetectable at 10 ng/ml but was unchanged at the lower concentrations. In addition, we observed that sourdough bread, in comparison to heat-treated bread, increased the bioavailability of iron despite similar iron content (53% increase in ferritin formation, 97% increase in hepcidin release). This effect was not observed in monocultured Caco-2 cells. The Caco-2/HepG2 model provides an alternative approach to in vitro iron absorption studies in which the hepatic regulation of iron transport must be considered. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  4. LI and LIII x-ray absorption in dysprosium and location of 4f levels

    Science.gov (United States)

    Agarwal, B. K.; Balakrishnan, V.

    1983-09-01

    The LI x-ray absorption-edge and near-edge structure in dysprosium are reported along with the first measurement of LI extended x-ray-absorption fine structure in metal and compounds. The location of 4f levels is discussed on the basis of the observed near-edge structure in the Dy LIII edge.

  5. An experimental study on relationship between hammett substituent constant and electronic absorption wavelength of some azo dyes

    OpenAIRE

    Sidir, Yadigar Gülseven; Sidir, Isa; Berber, Halil; Tasal, Erol

    2011-01-01

    In this study, absorption spectra of sixteen azo dyes have been recorded in various solvents. These azo dyes have substituents such as OH, SO3H, Cl, I, NO2, C2H5 and OCH3 in different positions of phenyl ring. There is a shift in ?max whose amount is dependent upon the type and position of substituent on the ring. The effects of substituent on the absorption spectra of azo dyes are interpreted by correlation of absorption maximum wavelengths (nm) with the hammett substituent parameters. Charg...

  6. Synthesis, XRD, TEM, EPR, and Optical Absorption Spectral Studies of CuZnO2 Nanocompound

    Directory of Open Access Journals (Sweden)

    T. Ravindra Reddy

    2014-01-01

    Full Text Available Synthesis of nano CuZnO2 compound is carried out by thermal decomposition method. The crystalline phase of the material is characterized by XRD. The calculated unit cell constants are a=3.1 Å and c=3.4786 Å and are of tetragonal structure. The unit cell constants are different from wurtzite (hexagonal which indicate that a nanocompound is formed. Further TEM images reveal that the metal ion is in tetragonal structure with oxygen ligands. The prepared CuZnO2 is then characterized for crystallite size analysis by employing transmission electron microscopy (TEM. The size is found to be 100 nm. Uniform bright rings are noticed in the TEM picture suggesting that the nanocrystals have preferential instead of random orientations. The selected-area electron diffraction (SAED pattern clearly indicates the formation of CuO-ZnO nanocompound. The nature of bonding is studied by electron paramagnetic resonance (EPR. The covalency character is about 0.74 and thus the compound is electrically less conductive. Optical absorption spectral studies suggest that Cu(II is placed in tetragonal elongation crystal field. The spin-orbit coupling constant, λ, is calculated using the EPR and optical absorption spectral results suggest some covalent bond between metal and ligand. Near infrared (NIR spectra are due to hydroxyl and water fundamentals.

  7. Design lithium storage materials by lithium adatoms adsorption at the edges of zigzag silicene nanoribbon: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Gang [Hunan Key Laboratory for Micro–Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan, 411105 (China); Mao, Yuliang, E-mail: ylmao@xtu.edu.cn [Hunan Key Laboratory for Micro–Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan, 411105 (China); Zhong, Jianxin [Hunan Key Laboratory for Micro–Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan, 411105 (China); Yuan, Jianmei [Hunan Key Laboratory for Computation and Simulation in Science and Engineering, School of Mathematics and Computational Science, Xiangtan University, Hunan, 411105 (China); Zhao, Hongquan, E-mail: hqzhao@cigit.ac.cn [Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing, 401120 (China)

    2017-06-01

    Highlights: • Edge-adsorption of Li adatoms on zigzag silicene nanoribbon is preferred in energy to form new type lithium storage materials. • Significant charge transfer from Li adatoms to Si atoms is found, indicating the main ionic interactions. • The band structures of zigzag silicene nanoribbon are sensitive with the variation of sites of Li adatoms at the two edges. • The local magnetic moments at the two edges of zigzag silicene nanoribbon are suppressed by the adsorptions of Li adatoms. - Abstract: First-principles spin-polarized calculations are performed to design lithium storage materials using the active edges of zigzag silicene nanoribbon (ZSiNR). We predict that edge-adsorption of Li adatoms on zigzag silicene nanoribbon is preferred in energy to form new type lithium storage materials. Significant charge transfer from Li adatoms to Si atoms at the edges of ZSiNR is found, indicating the main ionic interactions. It is found that the band structures of ZSiNR with Li adsorptions are sensitive with the variation of sites of adatoms at the two edges. Ferro-magnetic to antiferro-magnetic change is found in ZSiNR with symmetrical adsorption of Li adatoms at its two edges. Other unsymmetrical Li adsorptions at the edges of ZSiNR prefer to stay in ferro-magnetic state as that in narrow pristine ZSiNR.

  8. Study of edge turbulence in tokamak plasmas; Etude de la turbulence de bord dans les plasmas de tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Sarazin, Y

    1997-11-21

    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.) 103 refs.

  9. Diode laser absorption spectroscopy for studies of gas exchange in fruits

    Science.gov (United States)

    Persson, L.; Gao, H.; Sjöholm, M.; Svanberg, S.

    2006-07-01

    Gas exchange in fruits, in particular oxygen transport in apples, was studied non-intrusively using wavelength modulation diode laser absorption spectroscopy at about 761 nm, applied to the strongly scattering intact fruit structure. The applicability of the technique was demonstrated by studies of the influence of the skin to regulate the internal oxygen balance and of cling film in modifying it by observing the response of the signal from the internal oxygen gas to a transient change in the ambient gas concentration. Applications within controlled atmosphere fruit storage and modified atmosphere packaging are discussed. The results suggest that the technique could be applied to studies of a large number of problems concerning gas exchange in foods and in food packaging.

  10. A real-time in-vivo method for studying the percutaneous absorption of volatile chemicals.

    Science.gov (United States)

    Thrall, K D; Poet, T S; Corley, R A; Tanojo, H; Edwards, J A; Weitz, K K; Hui, X; Maibach, H I; Wester, R C

    2000-01-01

    Realistic estimates of percutaneous absorption following exposures to solvents in the workplace, or through contaminated soil and water, are critical to understanding human health risks. A method was developed to determine dermal uptake of solvents under non-steady-state conditions using real-time breath analysis in rats, monkeys, and humans. The exhaled breath was analyzed using an ion-trap mass spectrometer, which can quantitate chemicals in the exhaled breath stream in the 1-5 ppb range. The resulting data were evaluated using physiologically-based pharmacokinetic (PBPK) models to estimate dermal permeability constants (Kp) under various exposure conditions. The effects of exposure matrix (soil versus water), occlusion versus non-occlusion, and species differences on the absorption of methyl chloroform, trichloroethylene, and benzene were compared. Exposure concentrations were analyzed before and at 0.5-hour intervals throughout the exposures. The percentage of each chemical absorbed and the corresponding Kp were estimated by optimization of the PBPK model to the medium concentration and the exhaled-breath data. The method was found to be sufficiently sensitive for animal and human dermal studies at low exposure concentrations over small body surface areas, for short periods, using non-steady-state exposure conditions.

  11. Study of the electronic properties of Zn{sub 0.8–4x}Ho{sub x}O{sub y} (0.05 ≤ x ≤ 0.09) by X-ray absorption and photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ekicibil, A. [Physic Department, University of Cukurova, 01330 Adana (Turkey); Ozkendir, O.M. [Tarsus Technology Faculty, Mersin University, 33400 Tarsus (Turkey); Farha, A.H. [Department of Electrical and Computer Engineering, Old Dominion University, Norfolk, VA 23529 (United States); Department of Physics, Faculty of Science, Ain Shams University, Cairo 11566 (Egypt); Ufuktepe, Y., E-mail: ufuk@cu.edu.tr [Physic Department, University of Cukurova, 01330 Adana (Turkey)

    2015-07-15

    Highlights: • The electronic structure of Ho doped ZnO was investigated by XANES and XPS. • The electronic structure was directly influenced by the Ho concentration in the ZnO. • The crystal structure showed little/no correlation to the substitution of Ho. • The substitution of Ho causes a weaker antiferromagnetic interaction. • The blue shift in band gap is observed and discussed. - Abstract: The electronic structure of Zn{sub 0.8–4x}Ho{sub x}O{sub y} (0.05 ≤ x ≤ 0.09) was investigated using X-ray absorption near edge structure (XANES) and X-ray photoelectron spectroscopy (XPS). Samples were prepared by the solid state reaction method. Using X-ray absorption spectroscopy, the investigation of M{sub 4,5} absorption edge of Ho revealed that the electronic structure was directly influenced by the Ho concentration in the Zn{sub 0.8–4x}Ho{sub x}O{sub y} sample whereas the crystal structure properties showed little/no correlation to the substitution of Ho. The electronic structure differs substantially from those of the reference ZnO. The O K-edge spectra suggest that the combination of the Ho with ZnO enhances the effective charge of the O ions. A systematic study on the composition from lower to higher value of Ho dopant showed the blue shift in band gaps and is discussed in the view of the electronic structure of the Zn{sub 0.8–4x}Ho{sub x}O{sub y} samples. The inverse susceptibility (1/χ) against temperature curves is plotted to identify the magnetic contribution. Those curves indicate that the substitution of Ho into the ZnO compound causes a weaker antiferromagnetic (AFM) interaction.

  12. Study of anomalous temperature dependence of itinerant holes in under- and overdoped La sub 2 sub - sub x Sr sub x CuO sub 4 single crystals using polarised soft X-ray absorption spectroscopy

    CERN Document Server

    Singhal, R K; Dalela, S; Sekhar, B; Jain, D C; Garg, K B

    2003-01-01

    Some experiments have recently shown that in the YBCO detwinned system charge aggregation takes place in the Cu-O sub 2 plane along the b-axis at T>>T sub c followed by formation of Cooper pairs, again in the normal state. Polarised X-ray absorption measurements at the O K and Cu L sub 3 absorption edges in E parallel b orientation have been carried out on underdoped and overdoped single crystals of La sub 2 sub - sub x Sr sub x CuO sub 4 through a temperature range of 10-300 K to study the dependence of the itinerant hole density. Both the crystals do show an anomalous temperature dependence but there is a wide divergence in the earlier and our results. This paper discusses the results and possible causes for the difference.

  13. Study on the absorption uniformity of optical thin films based on the photothermal detuning technique.

    Science.gov (United States)

    Hao, Honggang; Zhou, Ao; Rao, Min

    2012-10-01

    Absorption loss in optical components, particularly in optical coatings, is a limiting factor in high-power laser applications. The uniformity of optical coatings becomes more and more important as large-diameter optical devices are used widely. In this paper, the photothermal detuning technique used for absorption uniformity measurement of optical thin films is developed for the first time. Experiments are conducted with a highly reflective coating used in 514 nm to measure the photothermal detuning signal and to evaluate the absorption at 514 nm by detecting the spectral shift with a probe beam at a wavelength of 632.8 nm. The relative absorption at different points on the sample surface can be measured by moving the sample two-dimensionally, and we use the measured data to make the absorption image. The results show that the designed experimental system can be used to analyze the absorption uniformity of optical coatings. The obtained images reflect the absorption uniformity of the sample well. The absorption uniformities of the two samples analyzed in this experiment are different. The film coated on fused silica is better. The research provides a powerful and convenient tool for absorption uniformity measurement of optical thin film.

  14. Measurements of the Absorption by Auditorium SEATING—A Model Study

    Science.gov (United States)

    BARRON, M.; COLEMAN, S.

    2001-01-01

    One of several problems with seat absorption is that only small numbers of seats can be tested in standard reverberation chambers. One method proposed for reverberation chamber measurements involves extrapolation when the absorption coefficient results are applied to actual auditoria. Model seat measurements in an effectively large model reverberation chamber have allowed the validity of this extrapolation to be checked. The alternative barrier method for reverberation chamber measurements was also tested and the two methods were compared. The effect on the absorption of row-row spacing as well as absorption by small numbers of seating rows was also investigated with model seats.

  15. EPR and optical absorption studies on VO 2+ ions in calcium fumarate trihydrate single crystals

    Science.gov (United States)

    Kripal, Ram; Mishra, Indrajeet; Gupta, S. K.; Arora, Manju

    2010-01-01

    Electron Paramagnetic Resonance (EPR) studies of VO 2+ ions in calcium fumarate trihydrate single crystals have been done at room temperature. EPR analysis indicates the presence of two magnetically inequivalent VO 2+ sites. For the two sites the spin Hamiltonian parameters are, Site I: g x = 1.9689 ,g y = 2.0087 ,g z = 1.9344, A x = 73 ,A y = 88 ,A z = 202; Site II: g x = 1.9675 ,g y = 2.0100 ,g z = 1.9346 ,A x = 75 ,A y = 90, A z = 206 (×10 -4) cm -1. The optical absorption study is also carried out at room temperature. By correlating EPR and optical data the nature of bonding in the crystal is discussed. The three-line superhyperfine structure has been attributed to two protons.

  16. Changes in habitat use at rainforest edges through succession: A case study of understory birds in the Brazilian Amazon

    Science.gov (United States)

    Luke L. Powell; Gustavo Zurita; Jared D.  Wolfe; Erik I.  Johnson; Philip C  Stouffer

    2015-01-01

    Primary tropical rain forests are being rapidly perforated with new edges via roads, logging, and pastures, and vast areas of secondary forest accumulate following abandonment of agricultural lands. To determine how insectivorous Amazonian understory birds respond to edges between primary rain forest and three age classes of secondary forest, we radio-tracked two...

  17. Free Edge Mixed Mode Delamination Analysis of Laminated Composites with Wrap-Around Configuration: A Finite Element Study

    Science.gov (United States)

    Choudhury, Pannalal; Das, Subhankar; Halder, Sudipta; Pandey, Krishna Murari

    2016-10-01

    Finite element analyses of laminated composites were done in the present study with respect to suppression of free edge delamination by an innovative technique. Wrap-around configuration was considered to determine its effectiveness over the wrapper-less laminated configuration on laminated composites. Nodal stresses were generated ahead of the crack tip through finite element analysis. This was used for determining interlaminar normal stress and inter laminar shear stress distributions at the critical interface. Later virtual crack closure technique was used to estimate the strain energy release rate components for several sizes of virtual crack extensions through a single finite element analysis. Computational analysis predicts Mode-I delamination as dominant mode of failure. This mode of delamination was significantly suppressed with wrap-around configuration on laminated composites.

  18. Shock tube study on the thermal decomposition of fluoroethane using infrared laser absorption detection of hydrogen fluoride.

    Science.gov (United States)

    Matsugi, Akira; Shiina, Hiroumi

    2014-08-28

    Motivated by recent shock tube studies on the thermal unimolecular decomposition of fluoroethanes, in which unusual trends have been reported for collisional energy-transfer parameters, the rate constants for the thermal decomposition of fluoroethane were investigated using a shock tube/laser absorption spectroscopy technique. The rate constants were measured behind reflected shock waves by monitoring the formation of HF by IR absorption at the R(1) transition in the fundamental vibrational band near 2476 nm using a distributed-feedback diode laser. The peak absorption cross sections of this absorption line have also been determined and parametrized using the Rautian-Sobel'man line shape function. The rate constant measurements covered a wide temperature range of 1018-1710 K at pressures from 100 to 290 kPa, and the derived rate constants were successfully reproduced by the master equation calculation with an average downward energy transfer, ⟨ΔEdown⟩, of 400 cm(-1).

  19. High-resolution X-ray absorption spectroscopy of iron carbonyl complexes

    OpenAIRE

    Atkins, A.J.; Bauer, M; Jacob, C.R.

    2015-01-01

    We apply high-energy-resolution fluorescence-detected (HERFD) X-ray absorption near-edge spectroscopy (XANES) to study iron carbonyl complexes. Mono-, bi-, and tri-nuclear carbonyl complexes and pure carbonyl complexes as well as carbonyl complexes containing hydrocarbon ligands are considered. The HERFD-XANES spectra reveal multiple pre-edge peaks with individual signatures for each complex, which could not be detected previously with conventional XANES spectroscopy. These peaks are assigned...

  20. Phosphorus K-edge XANES spectroscopy of mineral standards.

    Science.gov (United States)

    Ingall, Ellery D; Brandes, Jay A; Diaz, Julia M; de Jonge, Martin D; Paterson, David; McNulty, Ian; Elliott, W Crawford; Northrup, Paul

    2011-03-01

    Phosphorus K-edge X-ray absorption near-edge structure (XANES) spectroscopy was performed on phosphate mineral specimens including (a) twelve specimens from the apatite group covering a range of compositional variation and crystallinity; (b) six non-apatite calcium-rich phosphate minerals; (c) 15 aluminium-rich phosphate minerals; (d) ten phosphate minerals rich in either reduced iron or manganese; (e) four phosphate minerals rich in either oxidized iron or manganese; (f) eight phosphate minerals rich in either magnesium, copper, lead, zinc or rare-earth elements; and (g) four uranium phosphate minerals. The identity of all minerals examined in this study was independently confirmed using X-ray powder diffraction. Minerals were distinguished using XANES spectra with a combination of pre-edge features, edge position, peak shapes and post-edge features. Shared spectral features were observed in minerals with compositions dominated by the same specific cation. Analyses of apatite-group minerals indicate that XANES spectral patterns are not strongly affected by variations in composition and crystallinity typical of natural mineral specimens.

  1. EPR and optical absorption studies on manganese ion doped in mixed alkali cadmium phosphate glasses

    Science.gov (United States)

    Giridhar, G.; Rangacharyulu, M.; Ravikumar, R. V. S. S. N.; Sambasiva Rao, P.

    2009-07-01

    Electron paramagnetic resonance (EPR) spectra of Mn(II) ions in cadmium phosphate glasses are presented with mixed alkali variation as xLi2O + (20 - x) Na2O + 20 CdO + 59.5 P2O5 + 0.5 MnO glass system with 5 EPR spectra of Mn(II) ions doped samples exhibit a sextet centered at g = 2·0. The optical absorption spectrum at room temperature shows three bands for Mn(II) ions in octahedral symmetry. The crystal field (Dq) and Racah parameters (B and C) are evaluated. From EPR and optical spectral studies reveals the nature of the bonding is dominantly ionic and its site symmetry is octahedral. At equal composition of alkali content, i.e. for x = 10 the glass system shows the mixed alkali effect.

  2. Studies on Nonoxynol-9. II. Intravaginal absorption, distribution, metabolism and excretion in rats and rabbits.

    Science.gov (United States)

    Chvapil, M; Eskelson, C D; Stiffel, V; Owen, J A; Droegemueller, W

    1980-09-01

    Some pharmacological aspects of Igepal CO-630, used by some pharmaceutical companies as the source of nonylphenoxypoly (ethyleneoxy) ethanol (Nonoxynol-9, N-9) in various spermicidal formulations, were studied. It was found that Igepal CO-630 contains at least 13 components, 70% having molecular weights near that of N-9. After intravaginal administration, the detergent is rapidly and quantitatively absorbed through the vaginal wall into the systemic circulation. The rate of vaginal absorption of N-9 depends on the vehicle in which the detergent is carried. Once in the blood, N-9 is excreted by liver-bile-feces and the kidney-urine routes, the first being more effective in rats, the latter in rabbits. Following intravaginal or intraperitoneal injection of radioactive N-9, the highest content of radioactivity was found in the liver and kidney. The detergent was detected in the milk of lactating rats and the serum of their pups within two hours after the intravaginal dose.

  3. Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

    Science.gov (United States)

    Sajan, D.; Devi, T. Uma; Safakath, K.; Philip, Reji; Němec, Ivan; Karabacak, M.

    2013-05-01

    FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential photonic applications.

  4. A microwave absorption study in the thermochromic SrMnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Alvarez, G. [Departamento de Materiales Metalicos y Ceramicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Coyoacan, DF (Mexico)], E-mail: memodin@yahoo.com; Heiras, J. [Centro de Ciencias de la Materia Condensada, Universidad Nacional Autonoma de Mexico, Apartado Postal 356, 22800 Ensenada, BC (Mexico); Castellanos, M. [Facultad de Quimica, Universidad Nacional Autonoma de Mexico, Cd. Universitaria, 04510 Mexico DF (Mexico); Valenzuela, R. [Departamento de Materiales Metalicos y Ceramicos, Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Coyoacan, DF (Mexico)

    2008-07-15

    We report electron paramagnetic resonance (EPR) and magnetically modulated microwave absorption spectroscopy (MAMMAS) studies at X-band (8.8-9.6 GHz) on powdered SrMnO{sub 3} in the 90-400 K temperature range. EPR spectrum shows one broad single-line at room temperature, which is observed only above 280.5 K, being compatible with an antiferromagnetic order. The onset of the para-antiferromagnetic transition has been determined from the temperature dependence of three main parameters extracted from the EPR spectra: resonant field (H{sub res}), peak-to-peak linewidth ({delta}H{sub pp}) and integrated intensity (I{sub EPR}). The MAMMAS response shows a change in the region 276-283 K, compatible with the para-antiferromagnetic transition, without presenting any significant change in the region of thermochromism.

  5. Study on the surface hydroxyl group on solid breeding materials by infrared absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Satoru; Taniguchi, Masaki [Tokyo Univ. (Japan). Faculty of Engineering

    1996-10-01

    Hydroxyl groups on the surface of Li{sub 2}O were studied by using a diffuse reflectance method with Fourier transform infrared absorption spectroscopy at high temperature up to 973K under controlled D{sub 2}O or D{sub 2} partial pressure. It was found that hydroxyl groups could exist on Li{sub 2}O surface up to 973K under Ar atmosphere. Under D{sub 2}O containing atmosphere, only the sharp peak at 2520cm{sup -1} was observed at 973K in the O-D stretching vibration region. Below 973K, multiple peaks due to the surface -OD were observed and they showed different behavior with temperature or atmosphere. Multiple peaks mean that surface is not homogeneous for D{sub 2}O adsorption. Assignment of the observed peaks to the surface bonding structure was also discussed. (author)

  6. Magnetization and Specific Absorption Rate Studies of Ball-Milled Iron Oxide Nanoparticles for Biomedicine

    Directory of Open Access Journals (Sweden)

    P. Burnham

    2013-01-01

    Full Text Available Comparative studies are presented of iron oxide nanoparticles in the 7–15 nm average diameter range ball milled in hexane in the presence of oleic acid. Transmission electron microscopy identified spherical particles of decreasing size as milling time and/or surfactant concentration increased. Micromagnetic characterization via Mössbauer spectroscopy at room temperature yielded broadened magnetic spectroscopic signatures, while macromagnetic characterization via vibrating sample magnetometry of 7-8 nm diameter particles showed largely superparamagnetic behavior at room temperature and hysteretic at 2 K. Zero-field and field-cooled magnetization curves exhibited a broad maximum at ~215 K indicating the presence of strong interparticle magnetic interactions. The specific absorption rates of ferrofluids based on these nanoparticle preparations were measured in order to test their efficacies as hyperthermia agents.

  7. X-ray absorption studies of Ti/polymer and Cr/polymer interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Opila, R.L.; Konstadinidis, K. [AT and T Bell Labs., Murray Hill, NJ (United States); Ibidunni, A.O [AT and T Bell Labs., North Andover, MA (United States); Davenport, A.J.; Isaacs, H.S. [Brookhaven National Lab., Upton, NY (United States)

    1993-11-01

    The interface formed between metals, Ti and Cr, and polymers, epoxy, and triazine, have been studied, non-destructively, using x-ray absorption spectroscopy. The metals were sputtered onto the polymer surfaces. Titanium reacts extensively, up to Ti thickness of 100 {Angstrom} while Cr remains primarily metallic. In situ heating at 200{degree}C increases the extent of reaction for both metals. Heating has a greater effect on metal/epoxy interfaces than metal/triazine. Titanium and Cr were ion implanted into the polymer in order to determine the interactions of isolated metal atoms with the polymer. Titanium and Cr appear to form oxides as the final reaction product, and the Ti is tetrahedrally coordinated.

  8. Transient absorption microscopy studies of energy relaxation in graphene oxide thin film

    Science.gov (United States)

    Murphy, Sean; Huang, Libai

    2013-04-01

    Spatial mapping of energy relaxation in graphene oxide (GO) thin films has been imaged using transient absorption microscopy (TAM). Correlated AFM images allow us to accurately determine the thickness of the GO films. In contrast to previous studies, correlated TAM-AFM allows determination of the effect of interactions of GO with the substrate and between stacked GO layers on the relaxation dynamics. Our results show that energy relaxation in GO flakes has little dependence on the substrate, number of stacked layers, and excitation intensity. This is in direct contrast to pristine graphene, where these factors have great consequences in energy relaxation. This suggests intrinsic factors rather than extrinsic ones dominate the excited state dynamics of GO films.

  9. Spin State of Co3+ in LaCo1-xRhxO3 Studied Using X-ray Absorption Spectroscopy

    Science.gov (United States)

    Sudayama, Takaaki; Nakao, Hironori; Yamasaki, Yuichi; Murakami, Youichi; Asai, Shinichiro; Okazaki, Ryuji; Yasui, Yukio; Terasaki, Ichiro

    2017-09-01

    The electronic states in LaCo1-xRhxO3 have been investigated using X-ray absorption spectroscopy (XAS) to elucidate the Rh substitution effect on the Co spin state. The absorption spectra at the Co L2-edge and O K-edge reveal that the spin state of Co3+ shows spin-crossover behavior from a spin state with S = 1, which corresponds to the peculiar spin state of LaCoO3 in the intermediate-temperature region, to a high spin state with S = 2. Moreover, we clarify that weak ferromagnetism is realized in LaCo1-xRhxO3 (0.1 ≦ x ≦ 0.4), in which the ground state of Co3+ becomes an S = 1 spin state.

  10. An experimental study of an airfoil with a bio-inspired leading edge device at high angles of attack

    Science.gov (United States)

    Mandadzhiev, Boris A.; Lynch, Michael K.; Chamorro, Leonardo P.; Wissa, Aimy A.

    2017-09-01

    Robust and predictable aerodynamic performance of unmanned aerial vehicles at the limits of their design envelope is critical for safety and mission adaptability. Deployable aerodynamic surfaces from the wing leading or trailing edges are often used to extend the aerodynamic envelope (e.g. slats and flaps). Birds have also evolved feathers at the leading edge (LE) of their wings, known as the alula, which enables them to perform high angles of attack maneuvers. In this study, a series of wind tunnel experiments are performed to quantify the effect of various deployment parameters of an alula-like LE device on the aerodynamic performance of a cambered airfoil (S1223) at stall and post stall conditions. The alula relative angle of attack, measured from the mean chord of the airfoil, is varied to modulate tip-vortex strength, while the alula deflection angle is varied to modulate the distance between the tip vortex and the wing surface. Integrated lift force measurements were collected at various alula-inspired device configurations. The effect of the alula-inspired device on the boundary layer velocity profile and turbulence intensity were investigated through hot-wire anemometer measurements. Results show that as alula deflection angle increases, the lift coefficient also increase especially at lower alula relative angles of attack. Moreover, at post stall wing angles of attack, the wake velocity deficit is reduced in the presence of alula device, confirming the mitigation of the wing adverse pressure gradient. The results are in strong agreement with measurements taken on bird wings showing delayed flow reversal and extended range of operational angles of attack. An engineered alula-inspired device has the potential to improve mission adaptability in small unmanned air vehicles during low Reynolds number flight.

  11. Suitability of skin integrity tests for dermal absorption studies in vitro.

    Science.gov (United States)

    Guth, Katharina; Schäfer-Korting, Monika; Fabian, Eric; Landsiedel, Robert; van Ravenzwaay, Ben

    2015-02-01

    Skin absorption testing in vitro is a regulatory accepted alternative method (OECD Guideline 428). Different tests can be applied to evaluate the integrity of the skin samples. Here, we compared the pre- or post-run integrity tests (transepidermal electrical resistance, TEER; transepidermal water loss, TEWL; absorption of the reference compounds water, TWF, or methylene blue, BLUE) and additionally focused on co-absorption of a (3)H-labeled internal reference standard (ISTD) as integrity parameter. The results were correlated to absorption profiles of various test compounds. Limit values of 2kΩ, 10 gm(-2)h(-1) and 4.5∗10(-3)cmh(-1) for the standard methods TEER, TEWL and TWF, respectively, allowed distinguishing between impaired and intact human skin samples in general. Single skin samples did, however, not, poorly and even inversely correlate with the test-compound absorption. In contrast, results with ISTD (e.g. (3)H-testosterone) were highly correlated to the absorption of (14)C-labeled test compounds. Importantly, ISTD did not influence analytics or absorption of test compounds. Therefore, ISTD, especially when adjusted to the physico-chemical properties of test compounds, is a promising concept to assess the integrity of skin samples during the whole course of absorption experiments. However, a historical control dataset is yet necessary for a potential routine application. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  12. The absorption factor of crystalline silicon PV cells: A numerical and experimental study

    Energy Technology Data Exchange (ETDEWEB)

    Santbergen, R.; van Zolingen, R.J.C. [Department of Mechanical Engineering, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven (Netherlands)

    2008-04-15

    The absorption factor of a PV cell is defined as the fraction of incident solar irradiance that is absorbed by the cell. This absorption factor is one of the major parameters determining the cell temperature under operational conditions. Experimentally the absorption factor can be derived from reflection and transmission measurements. The spectral reflection and transmission factors were measured for a set of crystalline silicon (c-Si) samples with a gradually increasing complexity. The experimental results agree very well with the results from a 2D numerical model that was developed. It was found that the AM1.5 absorption factor of a typical encapsulated c-Si photovoltaic cell is as high as 90.5%. Insight was gained in the cell parameters that influence this absorption factor. The presence of texture at the front of the c-Si wafer of sufficient steepness is essential to achieve such a high absorption factor. Sub-bandgap solar irradiance ({lambda}>1.1{mu} m) is mainly absorbed in the very thin emitter by means of free-carrier absorption. By minimizing reflective losses over the entire solar spectrum, the AM1.5 absorption of c-Si cells can theoretically be increased to 93.0%. The effect on the annual yield of PV and PV/thermal systems is quantified. (author)

  13. Vitamin D-mediated calcium absorption in patients with clinically stable Crohn's disease: a pilot study

    Science.gov (United States)

    Vitamin D is the critical hormone for intestinal absorption of calcium. Optimal calcium absorption is important for proper mineralization of bone in the prevention of osteoporosis and osteoporotic fractures, among other important functions. Diseases associated with gut inflammation, such as Crohn's ...

  14. Utilizing Near-IR Tunable Laser Absorption Spectroscopy to Study Detonation and Combustion Systems

    Science.gov (United States)

    2014-03-27

    3 2.1 Rotating Detonation Engines . . . . . . . . . . . . . . . . . . . . . . . . . 3 2.1.1 Previous & Current ...Research . . . . . . . . . . . . . . . . . . . . . . . . . . 4 2.2.2 Current Research . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 III...Tunable Diode Laser Absorption Spectroscopy TDM-TDLAS Time-Devision Multiplexed Tunable Diode Laser Absorption Spectroscopy VCSEL Vertical Cavity

  15. Absorptive capacity in travel agencies: a study in the State of Sergipe, Brazil

    Directory of Open Access Journals (Sweden)

    Éder Danilo Bezerra

    2016-03-01

    Full Text Available This article aims to analyze the absorptive capacity of travel agencies, based on the absorptive capacity model of Zahra and George (2002. The research is justified given the representativeness of the tourism sector in the service sector and the need for innovation measures closer to the sector’s specificities and focused on the dynamic capabilities of these companies. The study is quantitative, following an exploratory and descriptive approach. We performed a survey, with the questionnaire as our data collection instrument was. The research was conducted with the travel agencies affiliated to ABAV Sergipe - Brazilian Association of Travel Agencies in the State of Sergipe, initially totaling 50 listed companies, of which 08 were unable to participate, so that we obtained a total of 42 (84% respondents, including the travel agencies located in the interior of the State. The tabulation and analysis were made with the help of softwares such as IBM SPSS Statistics 19, Minitab 17 and Microsoft Excel 2007. The results showed that creative imitation is a major source of innovation for the agencies of the State of Sergipe and a result of their relationship with clients as well as with other companies, whether competitors or suppliers, which makes these companies open to new knowledge. The agencies surveyed also create informal networks ensuring that the knowledge and information they need are transmitted within the organization in a fast and dynamic fashion. As a contribution, the article advances the literature on innovation and tourism, by studying innovation from a different perspective of the shumpeterian one, proposing an alternative analytical lens.

  16. Study on the influence of absorption on anisotropic tissues by Mueller matrix decomposition

    Science.gov (United States)

    Wang, Yunfei; Zeng, Nan; Guo, Yihong; Liu, Celong; Ma, Hui

    2014-09-01

    This paper focuses on the absorption effect due to pathological changes. Using Monte Carlo simulation on our previously proposed sphere-cylinder-birefringence model (SCBM), and forward scattering experiments on phantoms containing polystyrene microspheres, well-aligned glass fibers and ink solution, we investigate how depolarization, retardance and diattenuation change with tissue absorption by decomposing the Mueller matrix using Mueller matrix polar decomposition method. According to the simulation and experimental results, this paper presents the influence of absorption on polarization scattering process from three aspects: firstly, the absorption depresses the depolarization contributed by the spherical and cylindrical scatterers; secondly, it decreases the retardance due to the anisotropic cylinder; thirdly, the increasing absorption enhances the diattenuation from cylindrical scatterers.

  17. Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies

    Energy Technology Data Exchange (ETDEWEB)

    Anselmi, Massimiliano, E-mail: m.anselmi@caspur.it [Department of Chemistry, University of Rome ' La Sapienza' , P.le Aldo Moro 5, 00185 Rome (Italy); Marocchi, Simone [Department of Chemistry, University of Rome ' La Sapienza' , P.le Aldo Moro 5, 00185 Rome (Italy); Aschi, Massimiliano [Department of Chemistry, Chemical Engineering and Materials, University of L' Aquila, Via Vetoio (Coppito 1), 67100 Coppito, L' Aquila (Italy); Amadei, Andrea [Department of Chemistry, University of Rome ' Tor Vergata' , Via della Ricerca Scientifica 1, 00133 Rome (Italy)

    2012-01-02

    Highlights: Black-Right-Pointing-Pointer The calculated absorption spectra were compared with experimental data. Black-Right-Pointing-Pointer Shapes and absorption maxima were reproduced for luciferin and oxyluciferin spectra. Black-Right-Pointing-Pointer The effect of the solvent largely changes the electronic transition probabilities. Black-Right-Pointing-Pointer Higher excitations provide an important contribution to the main absorption peak. - Abstract: Firefly luciferin and its oxidated form, oxyluciferin, are two heterocyclic compounds involved in the enzymatic reaction, catalyzed by redox proteins called luciferases, which provides the bioluminescence in a wide group of arthropods. Whereas the electronic absorption spectra of D-luciferin in water at different pHs are known since 1960s, only recently reliable experimental electronic spectra of oxyluciferin have become available. In addition oxyluciferin is involved in a triple chemical equilibria (deprotonation of the two hydroxyl groups and keto-enol tautomerism of the 4-hydroxythiazole ring), that obligates to select during an experiment a predominant species, tuning pH or solvent polarity besides introducing chemical modifications. In this study we report the absorption spectra of luciferin and oxyluciferin in each principal chemical form, calculated by means of perturbed matrix method (PMM), which allowed us to successfully introduce the effect of the solvent on the spectroscopic absorption properties, and compare the result with available experimental data.

  18. Novel atomic absorption spectrometric and rapid spectrophotometric methods for the quantitation of paracetamol in saliva: application to pharmacokinetic studies.

    Science.gov (United States)

    Issa, M M; Nejem, R M; El-Abadla, N S; Al-Kholy, M; Saleh, Akila A

    2008-01-01

    A novel atomic absorption spectrometric method and two highly sensitive spectrophotometric methods were developed for the determination of paracetamol. These techniques based on the oxidation of paracetamol by iron (III) (method I); oxidation of p-aminophenol after the hydrolysis of paracetamol (method II). Iron (II) then reacts with potassium ferricyanide to form Prussian blue color with a maximum absorbance at 700 nm. The atomic absorption method was accomplished by extracting the excess iron (III) in method II and aspirates the aqueous layer into air-acetylene flame to measure the absorbance of iron (II) at 302.1 nm. The reactions have been spectrometrically evaluated to attain optimum experimental conditions. Linear responses were exhibited over the ranges 1.0-10, 0.2-2.0 and 0.1-1.0 mug/ml for method I, method II and atomic absorption spectrometric method, respectively. A high sensitivity is recorded for the proposed methods I and II and atomic absorption spectrometric method value indicate: 0.05, 0.022 and 0.012 mug/ml, respectively. The limit of quantitation of paracetamol by method II and atomic absorption spectrometric method were 0.20 and 0.10 mug/ml. Method II and the atomic absorption spectrometric method were applied to demonstrate a pharmacokinetic study by means of salivary samples in normal volunteers who received 1.0 g paracetamol. Intra and inter-day precision did not exceed 6.9%.

  19. Anti-Family Fantasies in "Cutting-Edge" Anthropological Kinship Studies

    Science.gov (United States)

    Shapiro, Warren

    2012-01-01

    Anthropology began as archeology--not just the archaeology of "prehistoric" human or quasi-human bones and stones, but also the study of other things presumably archaic. The most notable of these was the social life and thought of the world's remaining peoples who could be taken as proxies for those who supplied these bones and used these stones…

  20. On the Edge: A Case Study and Resources for Mathematics Teachers

    Science.gov (United States)

    Meel, David E.

    2011-01-01

    A single case study approach was used to provide an in-depth examination of the special events that take place in the experiences of a graduate mathematics teaching assistant (MTA) during adaptation to a variety of physical, emotional, and psychological issues. Through intervention by a faculty member, professional counselor, and medical doctor,…

  1. Numerical experiments in the stability of leading edge boundary layer flow. A two-dimensional study

    NARCIS (Netherlands)

    Theofilis, Vassilios; Theofilis, V.

    1993-01-01

    A numerical study is performed in order to gain insight to the stability of the infinite swept attachment line boundary layer. The basic flow is taken to be of the Hiemenz class with an added cross-flow giving rise to a constant thickness boundary layer along the attachment line. The full

  2. Magnetic excitations of layered cuprates studied by RIXS at Cu L{sub 3} edge

    Energy Technology Data Exchange (ETDEWEB)

    Ghiringhelli, G., E-mail: giacomo.ghiringhelli@fisi.polimi.it [CNR/SPIN, CNISM and Dipartimento di Fisica, Politecnico di Milano, piazza Leonardo da Vinci 32, 20133 Milano (Italy); Braicovich, L. [CNR/SPIN, CNISM and Dipartimento di Fisica, Politecnico di Milano, piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2013-06-15

    Highlights: ► We have developed very high resolution RIXS instrumentation. ► Cu L{sub 3} RIXS is ideal for studying magnetic excitations in layered cuprates. ► RIXS has been used to map magnon and paramagnon dispersion in HTcS. ► We have developed the first partial polarization analyzer for RIXS in the soft X-rays. -- Abstract: The inelastic scattering of X-rays is becoming a powerful alternative to better established techniques, based on neutrons or low energy photons, for the study of low- and medium-energy excitations in solids. When performed in the soft range the resonant inelastic X-ray scattering (RIXS) is ideal for strongly correlated electron systems based on 3d transition metals. The remarkable evolution of Cu L{sub 3} RIXS has been boosted by the steady improvement of experimental energy resolution, and by the fortunate fact that cuprates give intense and richly featured spectra. Over the last 8 years several key results were obtained using the AXES (ESRF) and the SAXES (SLS) spectrometers. This initial success is now supporting several new projects for soft X-ray RIXS worldwide. We briefly present here the case of spin excitation dispersion in insulating and superconducting cuprates and the first RIXS spectra with partial polarization analysis of the scattered photons.

  3. Control Volume Finite Element Method with Multidimensional Edge Element Scharfetter-Gummel upwinding. Part 2. Computational Study

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Kara J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bochev, Pavel Blagoveston [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2011-08-01

    In [3] we proposed a new Control Volume Finite Element Method with multi-dimensional, edge- based Scharfetter-Gummel upwinding (CVFEM-MDEU). This report follows up with a detailed computational study of the method. The study compares the CVFEM-MDEU method with other CVFEM and FEM formulations for a set of standard scalar advection-diffusion test problems in two dimensions. The first two CVFEM formulations are derived from the CVFEM-MDEU by simplifying the computation of the flux integrals on the sides of the control volumes, the third is the nodal CVFEM [2] without upwinding, and the fourth is the streamline upwind version of CVFEM [10]. The finite elements in our study are the standard Galerkin, SUPG and artificial diffusion methods. All studies employ logically Cartesian partitions of the unit square into quadrilateral elements. Both uniform and non-uniform grids are considered. Our results demonstrate that CVFEM-MDEU and its simplified versions perform equally well on rectangular or nearly rectangular grids. However, performance of the simplified versions significantly degrades on non-affine grids, whereas the CVFEM-MDEU remains stable and accurate over a wide range of mesh Peclet numbers and non-affine grids. Compared to FEM formulations the CVFEM-MDEU appears to be slightly more dissipative than the SUPG, but has much less local overshoots and undershoots.

  4. Training and business performance: the mediating role of absorptive capacities.

    Science.gov (United States)

    Hernández-Perlines, Felipe; Moreno-García, Juan; Yáñez-Araque, Benito

    2016-01-01

    Training has been the focus of considerable conceptual and empirical attention but is considered a relevant factor for competitive edge in companies because it has a positive impact on business performance. This study is justified by the need for deeper analysis of the process involving the transfer of training into performance. This paper's originality lies in the implementation of the absorptive capacities approach as an appropriate conceptual framework for designing a model that reflects the connection between training and business performance through absorptive capacities. Based on the above conceptual framework and using the dual methodological implementation, a new method of analyzing the relationship between training and performance was obtained: efforts in training will not lead to performance without the mediation of absorptive. Training turns into performance if absorptive capacities are involved in this process. The suggested model becomes an appropriate framework for explaining the process of transformation of training into organizational performance, in which absorptive capacities play a key role. The findings obtained can go further owing to fs/QCA: of the different absorptive capacities, that of exploitation is a necessary condition to achieve better organizational performance. Therefore, training based on absorptive capacity will guide and facilitate the design of appropriate human resource strategies so that training results in improved performance. This conclusion is relevant for the development of a new facet of absorptive capacities by relating it to training and resulting in first-level implications for human resource management.

  5. Elastic Torques about Membrane Edges: A Study of Pierced Egg Lecithin Vesicles.

    Science.gov (United States)

    Lorenzen, S; Servuss, R M; Helfrich, W

    1986-10-01

    The shape of mechanically pierced giant vesicles is studied to obtain the elastic modulus of Gaussian curvature of egg lecithin bilayers. It is argued that such experiments are governed by an apparent modulus, kappa(app), not the true modulus of Gaussian curvature, kappa. A theory of kappa(app) is proposed, regarding the pierced bilayer vesicle as a closed monolayer vesicle. The quantity measured, i.e. kappa(app)/kappa, where kappa is the rigidity, agrees satisfactorily with the theory. We find kappa(app) = -(1.9 +/- 0.3) . 10(-12) erg (on the basis of kappa = (2.3 +/- 0.3) . 10(-12) erg). The result may have implications for bilayer fusion.

  6. Study of an intense proton beam profiler based on laser absorption; Etude d'un profileur optique de faisceaux intenses de protons par absorption laser

    Energy Technology Data Exchange (ETDEWEB)

    Pottin, B

    2001-10-01

    Among the challenges of high current proton accelerators, the development of new beam diagnostics is of major importance. The main difficulty for these instruments, is the beam power which deteriorates any instruments used to catch it. The chosen detectors are therefore 'non-interceptive systems. After an introduction concerning characteristics of the used accelerator (chapter I), parameters defining a beam of particles are presented (chapter II). Among these ones, the profile is an important beam characteristic for its transport. After the description of the different types of beam profilers, their problematic application to intense beams is discussed. New physical phenomena have to be used for profilers. Thus, we have prospected optical luminescence phenomena. The light produced during the interaction of protons with the residual gas and/or locally injected is a source of informations on beam characteristics. In chapters III and IV, there is an experimental and theoretical analysis of the luminescence. Chapter V is a direct application of spectroscopic measurements to estimate the output of protons with a non-interceptive technique. With the spectral analysis, the idea of a profiler based on laser absorption is developed. This presentation is both theoretical and experimental (chapters 6 and 7). The laser absorption needs the use of metastable states we define in the chapter 6. The evolution of the metastable states, with time and space, has been rigorously studied to discuss the concept of an optical profiler. Chapter VII presents all the necessary instrumentation for the use of a laser and the first measurements with the beam. At the thesis end, the first recorded profile is presented. An experimental critic is presented with a description of the different sources of errors and the proposed cures. (author)

  7. High-resolution three-dimensional imaging of a depleted CMOS sensor using an edge Transient Current Technique based on the Two Photon Absorption process (TPA-eTCT)

    CERN Document Server

    García, Marcos Fernández; Echeverría, Richard Jaramillo; Moll, Michael; Santos, Raúl Montero; Moya, David; Pinto, Rogelio Palomo; Vila, Iván

    2016-01-01

    For the first time, the deep n-well (DNW) depletion space of a High Voltage CMOS sensor has been characterized using a Transient Current Technique based on the simultaneous absorption of two photons. This novel approach has allowed to resolve the DNW implant boundaries and therefore to accurately determine the real depleted volume and the effective doping concentration of the substrate. The unprecedented spatial resolution of this new method comes from the fact that measurable free carrier generation in two photon mode only occurs in a micrometric scale voxel around the focus of the beam. Real three-dimensional spatial resolution is achieved by scanning the beam focus within the sample.

  8. High-resolution three-dimensional imaging of a depleted CMOS sensor using an edge Transient Current Technique based on the Two Photon Absorption process (TPA-eTCT)

    Energy Technology Data Exchange (ETDEWEB)

    García, Marcos Fernández; Sánchez, Javier González; Echeverría, Richard Jaramillo [Instituto de Física de Cantabria (CSIC-UC), Avda. los Castros s/n, E-39005 Santander (Spain); Moll, Michael [CERN, Organisation europénne pour la recherche nucléaire, CH-1211 Genéve 23 (Switzerland); Santos, Raúl Montero [SGIker Laser Facility, UPV/EHU, Sarriena, s/n - 48940 Leioa-Bizkaia (Spain); Moya, David [Instituto de Física de Cantabria (CSIC-UC), Avda. los Castros s/n, E-39005 Santander (Spain); Pinto, Rogelio Palomo [Departamento de Ingeniería Electrónica, Escuela Superior de Ingenieros Universidad de Sevilla (Spain); Vila, Iván [Instituto de Física de Cantabria (CSIC-UC), Avda. los Castros s/n, E-39005 Santander (Spain)

    2017-02-11

    For the first time, the deep n-well (DNW) depletion space of a High Voltage CMOS sensor has been characterized using a Transient Current Technique based on the simultaneous absorption of two photons. This novel approach has allowed to resolve the DNW implant boundaries and therefore to accurately determine the real depleted volume and the effective doping concentration of the substrate. The unprecedented spatial resolution of this new method comes from the fact that measurable free carrier generation in two photon mode only occurs in a micrometric scale voxel around the focus of the beam. Real three-dimensional spatial resolution is achieved by scanning the beam focus within the sample.

  9. Remote Sensing Forage Quality for Browsing Herbivores: A Case Study of Cutting Edge Koala Conservation

    Science.gov (United States)

    Youngentob, K. N.; Au, J.; Held, A. A.; Foley, W. J.; Possingham, H. P.

    2014-12-01

    Managing landscapes for conservation requires a capacity to measure habitat quality. Although multiple factors are often responsible for the distribution and abundance of herbivores, spatial variations in the quality and quantity of plant forage are known to be important for many species. While we cannot see the chemical complexity of landscapes with our naked-eye, advances in imaging spectroscopy are making it possible to assess the quality of forage on a landscape-scale. Much research in this area has focused on the ability to estimate foliar nitrogen (N), because N is believed to be a limiting nutrient for many leaf eating animals. However, the total quantity of foliar N does not necessarily reflect the amount of N that can be utilized by herbivores. Available nitrogen (AvailN) is an invitro measure of forage quality that integrates the influence of tannins and fibre on the amount of foliar N that is available for digestion by herbivores. This may be a more meaningful measure of forage quality than total N for the many herbivorous species that are sensitive to the effects of tannins. Our previous research has demonstrated that it is possible to estimate this integrated measure of foliar nutritional quality at an individual tree crown level across multiple tree species using imaging spectroscopy (HyMap). Here we present a case study of how this remote sensing data is being used to help inform landscape management and conservation decisions for an iconic Australian species, the koala (Phascolarctos cinereus). We review the methods involved in developing maps of integrated measures of foliar nutritional quality for browsing herbivores with airborne imaging spectroscopy data and discuss their applications for wildlife management.

  10. Ca and S K-edge XANES studies of calcite-acid mine water interactions

    Energy Technology Data Exchange (ETDEWEB)

    Myneni, S.C.B.; Perera, R.C.C. [Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    Heavy metal-rich acidic waters (SO{sub 4}{sup 2{minus}}, AsO{sub 4}{sup 3{minus}}, SeO{sub 4}{sup 2{minus}}, Fe{sup 2+}, Fe{sup 3+}, Al{sup 3+}, Cu{sup 2+}, Zn{sup 2+}, Cd{sup 2+}) and related ochreous coatings are common around abandoned sulfide and coal mine sites. This is mainly caused by the natural weathering of pyrite (FeS{sub 2}), arsenopyrite (FeAsS), and other metal sulfide containing shales. Acid generation in the case of pyrite can be explained by a general reaction: FeS{sub 2} + 3.5 O{sub 2} + H{sub 2}O {leftrightarrow} Fe{sup 2+} + SO{sub 4}{sup 2{minus}} + 2H{sup +}. Also, these low pH waters interact with the soils, and mobilize their soluble elements. One of the common remediation strategies is to allow these acid waters to react with limestone (CaCO{sub 3}-rich rock) and neutralize the pH and precipitate out soluble metals. Yet, the associated problem is the precipitation of Fe and Al oxides and hydroxy sulfate coatings on limestone surfaces, which block calcite reactive sites, and make them ineffective a few hours after initiation of treatment. The main objectives of this research are to examine: (1) the chemistry of limestone surface coatings, and (2) their toxic metal uptake and the conditions that inhibit their formation. Previous molecular studies using X-ray diffraction, and vibrational spectroscopy on limestone surface coatings (sampled from Athens, OH) indicate that the surface-most layer (the layer in contact with water) is composed of schwertmannite (Fe(III)-hydroxy sulfate) like phases. However, white, X-ray amorphous; Al-, sulfate- and carbonate-rich; and Ca-poor phases appeared at the interface between the limestone and the iron oxide coatings. The structure, morphology, and coordination chemistry of component major and trace elements of these white precipitate phases have not previously been examined.

  11. Non-invasive gas monitoring in newborn infants using diode laser absorption spectroscopy: a case study

    Science.gov (United States)

    Lundin, Patrik; Svanberg, Emilie K.; Cocola, Lorenzo; Lewander, Märta; Andersson-Engels, Stefan; Jahr, John; Fellman, Vineta; Svanberg, Katarina; Svanberg, Sune

    2012-03-01

    Non-invasive diode laser spectroscopy was, for the first time, used to assess gas content in the intestines and the lungs of a new-born, 4 kg, baby. Two gases, water vapor and oxygen, were studied with two low-power tunable diode lasers, illuminating the surface skin tissue and detecting the diffusely emerging light a few centimeters away. The light, having penetrated into the tissue, had experienced absorption by gas located in the lungs and in the intestines. Very distinct water vapor signals were obtained from the intestines while imprint from oxygen was lacking, as expected. Detectable, but minor, signals of water vapor were also obtained from the lungs, illuminating the armpit area and detecting below the collar bone. Water vapor signals were seen but again oxygen signals were lacking, now due to the difficulties of penetration of the oxygen probing light into the lungs of this full-term baby. Ultra-sound images were obtained both from the lungs and from the stomach of the baby. Based on dimensions and our experimental findings, we conclude, that for early pre-term babies, also oxygen should be detectable in the lungs, in addition to intestine and lung detection of water vapor. The present paper focuses on the studies of the intestines while the lung studies will be covered in a forthcoming paper.

  12. Acyclicity in edge-colored graphs

    DEFF Research Database (Denmark)

    Gutin, Gregory; Jones, Mark; Sheng, Bin

    2017-01-01

    A walk W in edge-colored graphs is called properly colored (PC) if every pair of consecutive edges in W is of different color. We introduce and study five types of PC acyclicity in edge-colored graphs such that graphs of PC acyclicity of type i is a proper superset of graphs of acyclicity of type...

  13. Experimental and Theoretical Study of Strong Low-Terahertz Absorption of Thymine

    Science.gov (United States)

    Zhang, W.-D.; Bykhovski, A.; Deibel, J. A.; Brown, E. R.

    2017-07-01

    The absorption coefficient of a nucleobase-thymine-in powder form was measured with terahertz spectroscopy in both frequency- and time-domain experiments. For frequencies below 3 THz, a strong signature was observed at 1.27 THz. Furthermore, molecular-dynamic simulations were conducted to reveal that the 1.27 THz absorption signature is related to a transverse optical phonon mode. The simulations also indicated that bound water molecules are vital to the vibrational mode.

  14. Shock Tube/Laser Absorption Studies of Jet Fuels at Low Temperatures (600-1200K)

    Science.gov (United States)

    2013-08-27

    fundamental band of CO (4.3–5.8 μm) to find can- didate CO transitions suitable for high-temperature (>1000 K) in situ detection that are isolated ...A systematic line-selection procedure was used to find lines with sufficient absorption strength, isolation from interfering absorption, temperature...the reaction volume, for either exothermic or endo- thermic reactions, also causes the reflected shock environment to deviate from constant-volume

  15. Infrared absorption spectroscopic study of Nd 3 substituted Zn–Mg ...

    Indian Academy of Sciences (India)

    Compositions of polycrystalline ZnMg1-Fe2–NdO4 ( = 0.00, 0.20, 0.40, 0.60, 0.80 and 1.00; = 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 spectra show ...

  16. Increasing Absorptive Capacity to Improve Internal and External Knowledge Transfer in Multinational Companies: A Multiple Case Study Approach

    Directory of Open Access Journals (Sweden)

    Béla-Gergely RÁCZ

    2016-12-01

    Full Text Available This study investigates how the absorptive capacity could be increased to improve internal and external knowledge transfer in subsidiaries of multinational companies. We look at the way in which the literature on absorptive capacity has evolved, and how it links the internal and external knowledge transfer. Based on 3 case studies conducted at Romanian subsidiaries of multinational companies, we find some patterns, which could explain how the successful knowledge flows should be managed within the multinational company and outside of it, in the supply chain network.

  17. Change of electric dipole moment in charge transfer transitions of ferrocene oligomers studied by ultrafast two-photon absorption

    Science.gov (United States)

    Mikhaylov, Alexander; Arias, Eduardo; Moggio, Ivana; Ziolo, Ronald; Uudsemaa, Merle; Trummal, Aleksander; Cooper, Thomas; Rebane, Aleksander

    2017-02-01

    Change of permanent electric dipole moment in the lower-energy charge transfer transitions for a series of symmetrical and non-symmetrical ferrocene-phenyleneethynylene oligomers were studied by measuring the corresponding femtosecond two-photon absorption cross section spectra, and were determined to be in the range Δμ = 3 - 10 D. Quantum-chemical calculations of Δμ for the non-symmetrical oligomers show good quantitative agreement with the experimental results, thus validating two-photon absorption spectroscopy as a viable experimental approach to study electrostatic properties of organometallics and other charge transfer systems.

  18. Experimental Study on the Absorption of Toluene from Exhaust Gas by Paraffin/Surfactant/Water Emulsion

    Directory of Open Access Journals (Sweden)

    Ping Fang

    2016-01-01

    Full Text Available A new paraffin/surfactant/water emulsion (PSW for volatile organic compounds (VOCs controlling was prepared and its potential for VOCs removal was investigated. Results indicated that PSW-5 (5%, v/v provided higher toluene absorption efficiency (90.77% than the other absorbents used. The saturation pressure, Henry’s constant, and activity coefficient of toluene in PSW-5 were significantly lower than those in water, and toluene solubility (1.331 g·L−1 in the PSW-5 was more than 2.5 times higher than the value in water. Several factors potentially affecting the toluene absorption efficiency were systematically investigated. The results suggested that concentration and pH of PSW, absorption temperature, and gas flow rate all had a strong influence on the toluene absorption, but the inlet concentration of toluene had little effect on the toluene absorption. There were different absorbing performances of PSW-5 on different VOCs, and the ketones, esters, and aromatics were more easily removed by the PSW-5 than the alkanes. Regeneration and reuse of the PSW were possible; after 3 runs of regeneration the absorption efficiency of PSW-5 for toluene also could reach 82.42%. So, the PSW is an economic, efficient, and safe absorbent and has a great prospect in organic waste gas treatment.

  19. The reverse edge-on impact test: a small scale experiment to study non-shock ignition

    Science.gov (United States)

    Picart, Didier; Damiani, David; Doucet, Michel

    2011-06-01

    Low velocity impact response of HMX-based high explosives is still a challenging domain for researchers and engineers. Studies are focused on the characterization of mechanical behavior and the determination of accurate dynamic mechanical constitutive laws, the numerical simulation of highly localized fields and the determination of the hot-spot formation mechanism. This last topic mixes phenomenological assumptions at the microstructural level, about the dissipation mechanism (cristal plasticity and/or friction of micro cracks lips), to more or less empirical rules relating the macroscopic mechanical quantities to the fields of stress, strain and strain rate at the microstructural level. To contribute to this study, the punch test apllied in 1998 by the Los Alamos team to a high explosive has been revisited. A reversed edge-on impact test has been designed. It enables real-time recordings of ignition at the macroscopic level, post-mortem observations as well as numerical simulation at the mesoscale. The talk will give details about the experimental set-up, the main results obtained for various impact conditions and a first attempt to simulate the heterogeneous pressure and strain rate at the mesoscale.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-03-15

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

  1. Time evolution of absorption process in nonlinear metallic photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mahi R.; Hatef, Ali [Department of Physics and Astronomy, University of Western Ontario, London (Canada)

    2009-05-15

    The time evolution of the absorption coefficient in metallic photonic crystals has been studied numerically. These crystals are made from metallic spheres which are arranged periodically in air. The refractive index of the metallic spheres depends on the plasma frequency. Probe and pump fields are applied to monitor the absorption process. Ensembles of three-level particles are embedded in the crystal. Nanoparticles are interacting with the metallic crystals via the electron-photon interaction. It is found that when the resonance states lie away from the band edges system goes to transparent state. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Edge-detected common carotid artery intima-media thickness and incident coronary heart disease in the multi-ethnic study of atherosclerosis.

    Science.gov (United States)

    Polak, Joseph F; O'Leary, Daniel H

    2015-06-15

    Common carotid artery intima-media thickness (IMT) can be measured either by hand or with an automated edge detector. We performed a direct comparison of these 2 approaches and studied their respective associations with coronary heart disease outcomes. We studied 5468 participants of the Multi-Ethnic Study of Atherosclerosis, composed of white, Chinese, Hispanic, and black participants with an average age of 61.9 years (47.8% men) and who were free of coronary heart disease at baseline. Manual-traced and edge-detected IMT measurements were made in the same location on ultrasound images of the right common carotid artery far wall in an area free of plaque. Manual-traced and edge-detected common carotid artery IMT measurements were added separately to multivariable Cox proportional hazards models with time to incident coronary heart disease as the outcome and adjusted for traditional coronary heart disease Framingham risk factors, lipid-lowering therapy, blood pressure-lowering therapy, and race or ethnicity. Additional models were generated after adding clinic site and reader. There were 349 events during a median follow-up of 10.2 years. In adjusted models, the hazard ratio was not significant (1.31; 95% CI 0.84 to 2.06) for each millimeter increase in manual-traced IMT but was significant for edge-detected IMT (hazard ratio 1.63; 95% CI 1.12 to 2.37). Edge-detected IMT remained statistically associated with outcomes after additional adjustment for clinic site and reader performing the IMT measurement (hazard ratio 1.59; 95% CI 1.07 to 2.35). Edge-detected common carotid artery far wall IMT has similar if not stronger associations with coronary heart disease outcomes when compared with manual-traced IMT. URL: https://www.clinicaltrials.gov/. Unique identifier: NCT00063440. © 2015 The Authors. Published on behalf of the American Heart Association, Inc., by Wiley Blackwell.

  3. Shock tube/laser absorption studies of the decomposition of methyl formate

    KAUST Repository

    Ren, Wei

    2013-01-01

    Reaction rate coefficients for the major high-temperature methyl formate (MF, CH3OCHO) decomposition pathways, MF → CH3OH + CO (1), MF →CH2O+CH2O (2), and MF→ CH4 + CO2 (3), were directly measured in a shock tube using laser absorption of CO (4.6 μm), CH2O (306 nm) and CH4 (3.4 μm). Experimental conditions ranged from 1202 to 1607 K and 1.36 to 1.72 atm, with mixtures varying in initial fuel concentration from 0.1% to 3% MF diluted in argon. The decomposition rate coefficients were determined by monitoring the formation rate of each target species immediately behind the reflected shock waves and modeling the species time-histories with a detailed kinetic mechanism [12]. The three measured rate coefficients can be well-described using two-parameter Arrhenius expressions over the temperature range in the present study: k1 = 1.1 × 1013 exp(-29556/T, K) s -1, k2 = 2.6 × 1012 exp(-32052/T, K) s-1, and k3 = 4.4 × 1011 exp(-29 078/T, K) s-1, all thought to be near their high-pressure limits. Uncertainties in the k1, k2 and k3 measurements were estimated to be ±25%, ±35%, and ±40%, respectively. We believe that these are the first direct high-temperature rate measurements for MF decomposition and all are in excellent agreement with the Dooley et al. [12] mechanism. In addition, by also monitoring methanol (CH3OH) and MF concentration histories using a tunable CO2 gas laser operating at 9.67 and 9.23 μm, respectively, all the major oxygen-carrying molecules were quantitatively detected in the reaction system. An oxygen balance analysis during MF decomposition shows that the multi-wavelength laser absorption strategy used in this study was able to track more than 97% of the initial oxygen atoms in the fuel. © 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

  4. Absorption and fluorescence studies of Sm{sup 3+} ions in lead containing sodium fluoroborate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Madhukar Reddy, C.; Dillip, G.R.; Mallikarjuna, K.; Zulifiqar Ali Ahamed, Sd. [Department of Physics, Sri Venkateswara University, Tirupati 517502 (India); Sudhakar Reddy, B. [Department of Physics, Sri Venkateswara Degree College, Kadapa 516003 (India); Deva Prasad Raju, B., E-mail: drdevaprasadraju@gmail.co [Department of Future Studies, Sri Venkateswara University, Tirupati 517 502 (India)

    2011-07-15

    Lead containing calcium zinc sodium fluoroborate glasses (LCZSFB) with molar composition of 20PbO+5CaO+5ZnO+10NaF+(60-x) B{sub 2}O{sub 3}+x Sm{sub 2}O{sub 3}, (x=0.1, 0.25, 0.5, 1.0 and 2.0 mol%) were prepared and investigated by the XRD, FTIR, optical absorption, photoluminescence and decay curve analysis. Judd-Ofelt theory was applied to the experimental oscillator strengths to evaluate the phenomenological J-O intensity parameters {Omega}{sub {lambda}} ({lambda}=2, 4 and 6). Using the J-O intensity parameters as well as from the emission and decay measurements, various radiative parameters such as transition probabilities (A{sub R}), radiative lifetimes ({tau}{sub R}), measured lifetimes ({tau}{sub m}), calculated branching ratios ({beta}{sub R}), measured branching ratios ({beta}{sub m}), effective bandwidth ({Delta}{lambda}{sub eff}) and stimulated emission cross sections {sigma}({lambda}{sub p}) have been calculated for the excited {sup 4}G{sub 5/2} luminescent level. The nature of decay curves of {sup 4}G{sub 5/2} level for different Sm{sup 3+} ion concentrations in all LCZSFB glasses has been analyzed and the lifetimes are noticed to decrease with increase of concentration. The concentration quenching has been attributed to the energy transfer through the cross-relaxation between Sm{sup 3+} ions. Based on these results, the utility of Sm{sup 3+} ions doped lead containing fluoroborate glasses as laser active materials in the visible region is discussed. - Highlights: {yields} In this study, we prepared LCZSFB glasses for different concentrations of Sm{sup 3+} ions. {yields} We characterize the prepared glasses with XRD, FTIR, absorption, emission and decay curve analysis. {yields} We used Judd-Ofelt theory to calculate oscillator strengths, J-O intensity parameters and different radiative properties. {yields} In this study, we conclude that Sm{sup 3+}-doped LCZSFB glasses are useful for the development of lasers and photonic devices in the visible region.

  5. The competitive growth of cubic domains in Ti(1-x)AlxN films studied by diffraction anomalous near-edge structure spectroscopy.

    Science.gov (United States)

    Pinot, Y; Tuilier, M-H; Pac, M-J; Rousselot, C; Thiaudière, D

    2015-11-01

    Titanium and aluminium nitride films deposited by magnetron sputtering generally grow as columnar domains made of oriented nanocrystallites with cubic or hexagonal symmetry depending on Al content, which are embedded in more disordered grain boundaries. The substitution of Al atoms for Ti in the cubic lattice of the films improves their resistance to wear and oxidation, allowing their use as protective coatings. Ti K-edge X-ray absorption spectroscopy, which probes both crystallized and more disordered grain boundaries, and X-ray diffraction anomalous fine structure, which is sensitive to short- and long-range order within a given crystallized domain, are carried out on a set of Ti(1-x)AlxN films deposited by magnetron sputtering on Si substrates. Attention is paid to the shape of the pre-edge region, which is sensitive to the symmetry of the site occupied by Ti atoms, either octahedral in face-centred-cubic Ti-rich (TiN, Ti0.54Al0.46N) samples or tetrahedral in hexagonal-close-packed Al-rich (Ti0.32Al0.68N) films. In order to obain information on the titanium environment in the well crystallized areas, subtraction of the smooth part of the energy-dependent structure factor for the Bragg reflections is applied to the pre-edge region of the diffraction anomalous data in order to restore their spectroscopic appearance. A flat pre-edge is related to the typical octahedral environment of Ti atoms for cubic reflections. The difference observed between pre-edge spectra associated with face-centred-cubic 200 and 111 Bragg reflections of Ti0.54Al0.46N is assigned to Ti enrichment of 111 large well ordered domains compared with the more disordered 200 ones. The sharp peak observed in the spectrum recorded from the hexagonal 002 peak of Ti0.32Al0.68N can be regarded as a standard for the pure tetrahedral Ti environment in hexagonal-close-packed nitride.

  6. Numerical study on film cooling and convective heat transfer characteristics in the cutback region of turbine blade trailing edge

    Directory of Open Access Journals (Sweden)

    Xie Yong-Hui

    2016-01-01

    Full Text Available Gas turbine blade trailing edge is easy to burn out under the exposure of high-temperature gas due to its thin shape. The cooling of this area is an important task in gas turbine blade design. The structure design and analysis of trailing edge is critical because of the complexity of geometry, arrangement of cooling channels, design requirement of strength, and the working condition of high heat flux. In the present paper, a 3-D model of the trailing edge cooling channel is constructed and both structures with and without land are numerically investigated at different blowing ratio. The distributions of film cooling effectiveness and convective heat transfer coefficient on cutback and land surface are analyzed, respectively. According to the results, it is obtained that the distributions of film cooling effectiveness and convective heat transfer coefficient both show the symmetrical characteristics as a result of the periodic structure of the trailing edge. The increase of blowing ratio significantly improves the film cooling effectiveness and convective heat transfer coefficient on the cutback surface, which is beneficial to the cooling of trailing edge. It is also found that the land structure is advantageous for enhancing the streamwise film cooling effectiveness of the trailing edge surface while the film cooling effectiveness on the land surface remains at a low level. Convective heat transfer coefficient exhibits a strong dependency with the blowing ratio, which suggests that film cooling effectiveness and convective heat transfer coefficient must be both considered and analyzed in the design of trailing edge cooling structure.

  7. EPR and optical absorption study of Mn 2+-doped zinc ammonium phosphate hexahydrate single crystals

    Science.gov (United States)

    Kripal, Ram; Govind, Har; Gupta, S. K.; Arora, Manju

    2007-04-01

    EPR study of Mn 2+-doped zinc ammonium phosphate hexahydrate (ZAPH) is done at room temperature. The Mn 2+ spin Hamiltonian parameters are evaluated employing a large number of resonant line positions observed for different orientations of the external magnetic field. The evaluated value of g-factor is 1.9527±0.0002 and the values of other parameters D, E, a, A and B (in 10 -4 cm -1) are, 175±2, 58±2, 10±1, 92±2 and 86±2, respectively. The optical absorption study of the crystal is also done. The observed bands are assigned as transitions from the 6A 1g(S) ground state to various excited quartet levels of Mn 2+ ion in a cubic crystal field. These bands are fitted with four parameters: inter-electronic repulsion parameters ( B and C), cubic crystal field splitting parameter ( Dq), and Tree's correction ( α). The values obtained for the parameters are B=917, C=2254, Dq=756 and α=76 cm -1. From the data obtained the surrounding crystal field and the nature of metal-ligand bonding are discussed. The considerable decrease in the values of B and C from their free ion values indicates the existence of a fair amount of covalent bonding between the central metal ion and the ligand. On the basis of the deviations Δ g= g-2.0023, the transfer of electrons to or from the central metal ion for bond formation is ascertained.

  8. Spectral studies of ocean water with space-borne sensor SCIAMACHY using Differential Optical Absorption Spectroscopy (DOAS

    Directory of Open Access Journals (Sweden)

    M. Vountas

    2007-09-01

    Full Text Available Methods enabling the retrieval of oceanic parameter from the space borne instrumentation Scanning Imaging Absorption Spectrometer for Atmospheric ChartographY (SCIAMACHY using Differential Optical Absorption Spectroscopy (DOAS are presented. SCIAMACHY onboard ENVISAT measures back scattered solar radiation at a spectral resolution (0.2 to 1.5 nm. The DOAS method was used for the first time to fit modelled Vibrational Raman Scattering (VRS in liquid water and in situ measured phytoplankton absorption reference spectra to optical depths measured by SCIAMACHY. Spectral structures of VRS and phytoplankton absorption were clearly found in these optical depths. Both fitting approaches lead to consistent results. DOAS fits correlate with estimates of chlorophyll concentrations: low fit factors for VRS retrievals correspond to large chlorophyll concentrations and vice versa; large fit factors for phytoplankton absorption correspond with high chlorophyll concentrations and vice versa. From these results a simple retrieval technique taking advantage of both measurements is shown. First maps of global chlorophyll concentrations were compared to the corresponding MODIS measurements with very promising results. In addition, results from this study will be used to improve atmospheric trace gas DOAS-retrievals from visible wavelengths by including these oceanographic signatures.

  9. Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal

    Science.gov (United States)

    Kandagal, Vinay S.; Chen, Fangfang; Jónsson, Erlendur; Pringle, Jennifer M.; Forsyth, Maria

    2017-09-01

    An organic ionic plastic crystal (OIPC), methyl(diethyl)isobutylphosphonium hexafluorophosphate [P122i4][PF6], was investigated for CO2 and N2 absorption using molecular simulations. Ab initio calculations showed that both the cation and anion exhibit larger binding energy for CO2 compared with N2. The CO2 absorption, as calculated from classical molecular dynamics simulations, increased by a factor of 7.5 from 275 K to 325 K, while that of N2 showed low absorption at both temperatures. The simulations suggest that the significant increase in CO2 absorption at 325 K is attributed to a higher degree of disorder and increase in the free volume due to the gas/solid interfaces. While the ab initio calculations were helpful in identifying specific interaction sites on the constituent ions, the classical MD simulations elucidated the importance of interfaces in gas absorption studies in this material. The results show that the OIPC can be a promising material for CO2 separations from CO2/N2 mixture.

  10. Unimolecular decomposition of formic and acetic acids: A shock tube/laser absorption study

    KAUST Repository

    Elwardany, A.

    2014-07-16

    The thermal decomposition of formic acid (HCOOH) and acetic acid (CH3COOH), two carboxylic acids which play an important role in oxygenate combustion chemistry, were investigated behind reflected shock waves using laser absorption. The rate constants of the primary decomposition pathways of these acids:(HCOOH → CO + H2 O (R 1); HCOOH → CO2 + H2 (R 2); CH3 COOH → CH4 + CO2 (R 3); CH3 COOH → CH2 CO + H2 O (R 4)) were measured using simultaneous infrared laser absorption of CO, CO2 and H2O at wavelengths of 4.56, 4.18 and 2.93 microns, respectively. Reaction test conditions covered temperatures from 1230 to 1821 K and pressures from 1.0 to 6.5 atm for dilute mixtures of acids (0.25-0.6%) in argon. The rate constants of dehydration (R1) and decarboxylation (R2) reactions of formic acid were calculated by fitting exponential functions to the measured CO, CO2 and H2O time-history profiles. These two decomposition channels were found to be in the fall-off region and have a branching ratio, k1/k2, of approximately 20 over the range of pressures studied here. The best-fit Arrhenius expressions of the first-order rates of R1 and R2 were found to be:(k1 (1 atm) = 1.03 × 1011 exp (- 25651 / T) s- 1 (± 37 %); k1 (6.5 atm) = 9.12 × 1012 exp (- 30275 / T) s- 1 (± 32 %); k2 (1 atm) = 1.79 × 108 exp (- 21133 / T) s- 1 (± 41 %); k2 (6.5 atm) = 2.73 × 108 exp (- 20074 / T) s- 1 (± 37 %)). The rate constants for acetic acid decomposition were obtained by fitting simulated profiles, using an acetic acid pyrolysis mechanism, to the measured species time-histories. The branching ratio, k4/k3, was found to be approximately 2. The decarboxylation and dehydration reactions of acetic acid appear to be in the falloff region over the tested pressure range:(k3 (1 atm) = 3.18 × 1011 exp (- 28679 / T) s- 1 (± 30 %); k3 (6 atm) = 3.51 × 1012 exp (- 31330 / T) s- 1 (± 26 %); k4 (1 atm) = 7.9 × 1011 exp (- 29056 / T) s- 1 (± 34 %); k4 (6 atm) = 6.34 × 1012 exp (- 31330 / T) s

  11. Study about the capillary absorption and the sorptivity of concretes with Cuban limestone aggregates

    Directory of Open Access Journals (Sweden)

    Howland, J. J.

    2013-12-01

    Full Text Available The objective of this study was to demonstrate the possibility to obtain concretes in Cuba with values of effective porosity below of 10%, using limestone aggregates with high levels of absorption (higher than 1% in many cases, and values of Sorptivity below of 5 x 10-5 m/s1/2 as is established in the document prepared by the DURAR Latin Working Group, for structures exposed to very aggressive environments. The experimental results showed that the use of the trial method of capillary absorption of Göran Fagerlund, were obtained concretes with effective porosity below of the 10%, for water/cement ratios of 0.4 and 0.45, but the values of sorptivities were very high. Nevertheless the subsequent use of the trial method of the ASTM C1585, that use cylinders probes with bigger depth and different processing, permits to obtain the desired sorptivity values for water/cement ratios of 0.4 and 0.45 whenever would be fulfilled the Good Practices of the Construction.El objetivo del estudio fue demostrar la posibilidad de lograr en Cuba, con el empleo de áridos calizos de elevada absorción (mayores del 1% en muchos casos, hormigones con valores de porosidad efectiva inferiores al 10% y de velocidad de absorción capilar (Sorptividad inferiores a 5 x 10-5 m/s1/2, tal como establece el documento elaborado por la RED DURAR del CYTED para estructuras expuestas a ambientes muy agresivos. Los resultados experimentales mostraron que con la aplicación del método de ensayo de absorción capilar de Göran Fagerlund se obtuvieron porosidades efectivas inferiores al 10% para relaciones agua/cemento de 0,4 y 0,45, pero los valores de sorptividad fueron muy elevados. No obstante la aplicación posterior del método de ensayo de la ASTM C1585 que utiliza probetas de mayor espesor y diferente tratamiento, permitió obtener los valores indicados de sorptividad para relaciones agua/cemento de 0,4; 0,45 siempre que se cumplan las Buenas Prácticas constructivas.

  12. Investigating the interstellar dust through the Fe K-edge

    Science.gov (United States)

    Rogantini, D.; Costantini, E.; Zeegers, S. T.; de Vries, C. P.; Bras, W.; de Groot, F.; Mutschke, H.; Waters, L. B. F. M.

    2017-12-01

    Context. The chemical and physical properties of interstellar dust in the densest regions of the Galaxy are still not well understood. X-rays provide a powerful probe since they can penetrate gas and dust over a wide range of column densities (up to 1024 cm-2). The interaction (scattering and absorption) with the medium imprints spectral signatures that reflect the individual atoms which constitute the gas, molecule, or solid. Aims: In this work we investigate the ability of high resolution X-ray spectroscopy to probe the properties of cosmic grains containing iron. Although iron is heavily depleted into interstellar dust, the nature of the Fe-bearing grains is still largely uncertain. Methods: In our analysis we use iron K-edge synchrotron data of minerals likely present in the ISM dust taken at the European Synchrotron Radiation Facility. We explore the prospects of determining the chemical composition and the size of astrophysical dust in the Galactic centre and in molecular clouds with future X-ray missions. The energy resolution and the effective area of the present X-ray telescopes are not sufficient to detect and study the Fe K-edge, even for bright X-ray sources. Results: From the analysis of the extinction cross sections of our dust models implemented in the spectral fitting program SPEX, the Fe K-edge is promising for investigating both the chemistry and the size distribution of the interstellar dust. We find that the chemical composition regulates the X-ray absorption fine structures in the post edge region, whereas the scattering feature in the pre-edge is sensitive to the mean grain size. Finally, we note that the Fe K-edge is insensitive to other dust properties, such as the porosity and the geometry of the dust. The absorption, scattering, and extinction cross sections of the compounds are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/609/A22

  13. Investigating the interstellar dust through the Fe K-edge

    Science.gov (United States)

    Rogantini, D.; Costantini, E.; Zeegers, S. T.; de Vries, C. P.; Bras, W.; de Groot, F.; Mutschke, H.; Waters, L. B. F. M.

    2018-01-01

    Context. The chemical and physical properties of interstellar dust in the densest regions of the Galaxy are still not well understood. X-rays provide a powerful probe since they can penetrate gas and dust over a wide range of column densities (up to 1024 cm-2). The interaction (scattering and absorption) with the medium imprints spectral signatures that reflect the individual atoms which constitute the gas, molecule, or solid. Aims: In this work we investigate the ability of high resolution X-ray spectroscopy to probe the properties of cosmic grains containing iron. Although iron is heavily depleted into interstellar dust, the nature of the Fe-bearing grains is still largely uncertain. Methods: In our analysis we use iron K-edge synchrotron data of minerals likely present in the ISM dust taken at the European Synchrotron Radiation Facility. We explore the prospects of determining the chemical composition and the size of astrophysical dust in the Galactic centre and in molecular clouds with future X-ray missions. The energy resolution and the effective area of the present X-ray telescopes are not sufficient to detect and study the Fe K-edge, even for bright X-ray sources. Results: From the analysis of the extinction cross sections of our dust models implemented in the spectral fitting program SPEX, the Fe K-edge is promising for investigating both the chemistry and the size distribution of the interstellar dust. We find that the chemical composition regulates the X-ray absorption fine structures in the post edge region, whereas the scattering feature in the pre-edge is sensitive to the mean grain size. Finally, we note that the Fe K-edge is insensitive to other dust properties, such as the porosity and the geometry of the dust. The absorption, scattering, and extinction cross sections of the compounds are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/609/A22

  14. A study on flexural and water absorption of surface modified rice husk flour/E-glass/polypropylene hybrid composite

    Science.gov (United States)

    Rassiah, K.; Sin, T. W.; Ismail, M. Z.

    2016-10-01

    This work is to study the effects of rice husk (RH)/E-Glass (EG)/polypropylene (PP) hybrid composites in terms of flexural and water absorption properties. The tests conducted are the flexural test and also the water absorption test using two types of water: distilled and sea water. The hybrid composites are prepared with various ratios of fibre weight fractions and the rice husk is treated using 2% Sodium Hydroxide (NaOH) to improve interaction and adhesion between the non-polar matrix and the polar lignocellulosic fibres. It was found that the content of rice husk/E-Glass fillers affected the structural integrity and flexural properties of hybrid composites. In addition, a higher ratio of rice husk contributes to higher water absorption in the hybrid composites.

  15. A doubly curved elliptical crystal spectrometer for the study of localized x-ray absorption in hot plasmas.

    Science.gov (United States)

    Cahill, Adam D; Hoyt, Cad L; Pikuz, Sergei A; Shelkovenko, Tania; Hammer, David A

    2014-10-01

    X-ray absorption spectroscopy is a powerful tool for the diagnosis of plasmas over a wide range of both temperature and density. However, such a measurement is often limited to probing plasmas with temperatures well below that of the x-ray source in order to avoid object plasma emission lines from obscuring important features of the absorption spectrum. This has excluded many plasmas from being investigated by this technique. We have developed an x-ray spectrometer that provides the ability to record absorption spectra from higher temperature plasmas than the usual approach allows without the risk of data contamination by line radiation emitted by the plasma under study. This is accomplished using a doubly curved mica crystal which is bent both elliptically and cylindrically. We present here the foundational work in the design and development of this spectrometer along with initial results obtained with an aluminum x-pinch as the object plasma.

  16. A doubly curved elliptical crystal spectrometer for the study of localized x-ray absorption in hot plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Cahill, Adam D., E-mail: adc87@cornell.edu; Hoyt, Cad L.; Pikuz, Sergei A.; Shelkovenko, Tania; Hammer, David A. [Cornell University, Electrical and Computer Engineering, Ithaca, NY 14853 (United States)

    2014-10-15

    X-ray absorption spectroscopy is a powerful tool for the diagnosis of plasmas over a wide range of both temperature and density. However, such a measurement is often limited to probing plasmas with temperatures well below that of the x-ray source in order to avoid object plasma emission lines from obscuring important features of the absorption spectrum. This has excluded many plasmas from being investigated by this technique. We have developed an x-ray spectrometer that provides the ability to record absorption spectra from higher temperature plasmas than the usual approach allows without the risk of data contamination by line radiation emitted by the plasma under study. This is accomplished using a doubly curved mica crystal which is bent both elliptically and cylindrically. We present here the foundational work in the design and development of this spectrometer along with initial results obtained with an aluminum x-pinch as the object plasma.

  17. Studies of absorption coefficient cum electro-optic performance of polymer dispersed liquid crystal doped with CNT and dichroic dye

    Science.gov (United States)

    Sharma, Vandna; Kumar, Pankaj

    2017-11-01

    Absorption coefficient of doped polymer dispersed liquid crystals (PDLCs) is a critical factor for their device performance and depends on dopants parameters like solubility, order parameter and extinction coefficients, in addition to configuration and orientation of the droplets. In this study, a fixed amount (0.125% wt/wt) of multiwall carbon nanotubes (CNTs) and orange azo dichroic dye was doped in PDLC and measured the OFF state absorption coefficient. Considering the theory based on Beer's law and followed by extinction coefficients of CNT and dye, the OFF state transmission for dye doped PDLC was found lower compared to CNT doped PDLC. As a result, absorption coefficient for dye doped PDLC was higher and resulted in the superior contrast ratio. The experimental results were found be consistent with the theoretical results.

  18. Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

    Science.gov (United States)

    Hansen, Stephanie

    2017-10-01

    The burning core of an inertial confinement fusion (ICF) plasma at stagnation is surrounded by a shell of warm, dense matter whose properties are difficult both to model (due to a complex interplay of thermal, degeneracy, and strong coupling effects) and to diagnose (due to low emissivity and high opacity). We demonstrate a promising technique to study the warm dense shells of ICF plasmas based on the fluorescence emission of dopants or impurities in the shell material. This emission, which is driven by x-rays produced in the hot core, exhibits signature changes in response to compression and heating. High-resolution measurements of absorption and fluorescence features can refine our understanding of the electronic structure of material under high compression, improve our models of density-driven phenomena such as ionization potential depression and plasma polarization shifts, and help diagnose shell density, temperature, mass distribution, and residual motion in ICF plasmas at stagnation. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. This work was supported by the U.S. Department of Energy, Office of Science Early Career Research Program, Office of Fusion Energy Sciences under FWP-14-017426.

  19. [Advances in studies of absorption and utilization of amino acids by plants: A review].

    Science.gov (United States)

    Cao, Xiao-chuang; Wu, Liang-huan; Ma, Qing-xu; Jin, Qian-yu

    2015-03-01

    Plant can directly take up the intact amino acids, thus bypass the microbial mineralization of organic nitrogen. As an excellent carbon and nitrogen source, there exists competition for amino acid absorption between plant roots.and soil microorganisms. And the total flux of amino acids in soil may be enormous due to the extensive sources and short half-life. Studies on amino acid nitrogen nutritional contribution for plant by the technique of nitrogen isotopic tracer, has become a research topic in recent years ,which will help us better understand the principle of soil fertility. This paper summarized the recent researches on amino acid morphological characteristics in soil and its metabolic mechanism and nitrogen nutritional contribution for plant in different ecosystems, and discussed the present status and development trend of the amino acid circulation mechanism in the plant-soil-microorganism ecosystem and its bioavailability for plant. Finally, the topics of environmental regulating mechanism of amino acid bioavailability, amino acid carbon-nitrogen metabolism, and how to improve the field organic nitrogen management were all the core issues to be resolved.

  20. Studies on the absorption, distribution and retention of vomitoxin (deoxynivalenol) in laying hens

    Energy Technology Data Exchange (ETDEWEB)

    Lun, A.K.L.

    1986-01-01

    The effect of vomitoxin (V) on laying hen performance and the absorption, tissue distribution and retention of this toxin were investigated in four experiments. The results indicated that feeding 82.8 ppm of dietary V did not significantly affect live performance and egg quality. No gross pathological lesions were observed in the gastrointestinal (GI) segments, liver, spleen, heart or kidneys although small erosions were present on the gizzard mucosa of the hens fed the V-diet. No significant V residues were detected (detection limit 20 ppb) in the eggs, liver, kidneys, breast or thigh muscle, but levels of approximately 20 ppb were found in the gizzard of the V-fed hens. Approximately 4.2% of the total ingested V was recovered in the excreta of the hens. Radiolabeling of V was also studied using biosynthesis and chemical labeling methods. Tritiated-V was administered orally to colostomized hens. Over 69% of the total ingested radioactivity was recovered in the urine and approximately 6.5% was recovered in the feces over a 48 hr period. Oral administration of tritiated-V to non-exteriorized hens demonstrated that the V was rapidly absorbed and widely distributed in the body tissues shortly after intubation.

  1. Photoacoustic study of percutaneous absorption of Carbopol and transdermic gels for topic use in skin

    Science.gov (United States)

    Rossi, R. C. P.; de Paiva, R. F.; da Silva, M. D.; Barja, P. R.

    2008-01-01

    Topical medicine application has been used to treat a good number of pathological processes. Its efficacy is associated to an efficient penetration of the drug in the internal skin layers, promoting systemic effects and excluding the possibility of drug degradation by the digestive tract and hepatic elimination. This work analyzes the penetration kinetics of two soluble bases employed as vehicles for topic application: superficial gel (Carbopol 940) and transdermic (transdermal) gel. Analysis was performed with the photoacoustic technique, based upon the absorption of modulated light by a sample with subsequent conversion of the absorbed energy in heat, generating acoustic waves in the air layer adjacent to the sample. Each of the two vehicles was evaluated through in vivo (human skin) and in vitro application. Measurements in vitro employed samples of VitroSkin (synthetic material with properties similar to those of real skin, employed in the pharmaceutical industry research). Results show that the permeation was faster for the transdermal gel, both for in vivo and in vitro measurements, indicating that in vitro measurements may be utilized in qualitative, comparative permeation studies.

  2. Incontinence pad absorption and skin barrier creams: a non-patient study.

    Science.gov (United States)

    Dykes, Peter; Bradbury, Sarah

    2016-12-08

    Exposure of the skin to excessive moisture, such as in cases of incontinence, can damage its natural barrier function and lead to tissue damage and breakdown. Common methods for managing incontinence and preventing related skin damage include the use of incontinence pads and the application of skin barrier creams to reduce exposure to moisture and irritants. Previous reports have indicated that barrier creams can transfer onto incontinence pads from the skin and reduce their absorbency, and thus the efficacy of both products. This study, using non-patient volunteers, investigated the effect on incontinence pad absorbency of Medi Derma-S and Medi Derma-Pro; two products from the Medi Skin Protection range, in comparison with other market-leading products. Results indicated that, while there was a small degree of product transfer onto the incontinence pads, this did not have a major impact on the absorption of synthetic urine. Medi Derma-S and Medi Derma-Pro performed consistently with other similar market-leading products.

  3. Interactions of Polyvinylpyrrolidone with Chlorin e6-Based Photosensitizers Studied by NMR and Electronic Absorption Spectroscopy.

    Science.gov (United States)

    Hädener, Marianne; Gjuroski, Ilche; Furrer, Julien; Vermathen, Martina

    2015-09-10

    Polyvinylpyrrolidone (PVP) can act as potential drug delivery vehicle for porphyrin-based photosensitizers in photodynamic therapy (PDT) to enhance their stability and prevent porphyrin self-association. In the present study the interactions of PVP (MW 10 kDa) were probed with five different derivatives of chlorin e6 (CE6) bearing either one of the amino acids serine, lysine, tyrosine or arginine, or monoamino-hexanoic acid as substituent. All derivatives of CE6 (xCE) formed aggregates of a similar structure in aqueous buffer in the millimolar range. In the presence of PVP monomerization of all xCE aggregates could be proved by (1)H NMR spectroscopy. xCE-PVP complex formation was confirmed by (1)H NMR T2 relaxation and diffusion ordered spectroscopy (DOSY). (1)H(1)H-NOESY data suggested that the xCE uptake into the PVP polymer matrix is governed by hydrophobic interactions. UV-vis absorption and fluorescence emission bands of xCE in the micromolar range revealed characteristic PVP-induced bathochromic shifts. The presented data point out the potential of PVP as carrier system for amphiphilic derivatives of chlorin e6. The capacity of PVP to monomerize xCE aggregates may enhance their efficiency as possible photosensitizers in PDT.

  4. Shapes of the $^{192,190}$Pb ground states from beta decay studies using the total absorption technique

    CERN Document Server

    Estevez Aguado, M.E.; Agramunt, J.; Rubio, B.; Tain, J.L.; Jordan, D.; Fraile, L.M.; Gelletly, W.; Frank, A.; Csatlos, M.; Csige, L.; Dombradi, Zs.; Krasznahorkay, A.; Nacher, E.; Sarriguren, P.; Borge, M.J.G.; Briz, J.A.; Tengblad, O.; Molina, F.; Moreno, O.; Kowalska, M.; Fedosseev, V.N.; Marsh, B.A.; Fedorov, D.V.; Molkanov, P.L.; Andreyev, A.N.; Seliverstov, M.D.; Burkard, K.; Huller, W.

    2015-01-01

    The beta decay of $^{192,190}$Pb has been studied using the total absorption technique at the ISOLDE(CERN) facility. The beta-decay strength deduced from the measurements, combined with QRPA theoretical calculations, allow us to infer that the ground states of the $^{192,190}$Pb isotopes are spherical. These results represent the first application of the shape determination method using the total absorption technique for heavy nuclei and in a region where there is considerable interest in nuclear shapes and shape effects.

  5. Nanoindentation near the edge

    Science.gov (United States)

    J.E. Jakes; C.R. Frihart; J.F. Beecher; R.J. Moon; P.J. Resto; Z.H. Melgarejo; O.M. Saurez; H. Baumgart; A.A. Elmustafa; D.S. Stone

    2009-01-01

    Whenever a nanoindent is placed near an edge, such as the free edge of the specimen or heterophase interface intersecting the surface, the elastic discontinuity associated with the edge produces artifacts in the load-depth data. Unless properly handled in the data analysis, the artifacts can produce spurious results that obscure any real trends in properties as...

  6. Control of the magnetic topology and plasma exhaust in the edge region of Wendelstein 7-X. A numerical study

    Energy Technology Data Exchange (ETDEWEB)

    Hoelbe, Hauke

    2016-02-15

    detail. In this thesis, state-of-the-art codes are used to analyze this previously proposed mitigation strategy; they are also used to develop several alternative mitigation schemes, which may in the end be advantageous. The work performed here shows not only that it is conceivable to solve this already identified problem in new and arguably better ways but also that the W7-X coil set has enough degrees of freedom that many important long-pulse plasma e.ects can be e.ectively mimicked in short-pulse operation. This opens up a rich research program in the early phases of operation and may therefore lead to a significant acceleration of the scientific program to control and optimize the divertor operation in W7-X. The main scientific challenge for the island divertor operation in W7-X is that, since the divertor geometry is now fixed, the magnetic field structure must be adjusted to the divertor geometry, or additional plasma-facing components must be manufactured and installed. Well before this thesis work was done, such additional plasma-facing components were proposed. These are called scraper elements (SEs). As a part of this work, computer simulations were performed in order to obtain a better knowledge base regarding the SEs. To analyze the e.ect of the SE, edge plasma physics simulation code EMC3-Eirene, was used, in combination with state-of-the-art magneto hydrodynamic (MHD) equilibrium codes. This combination was computationally non-trivial and new, and it has led to important insights. One main result of this study is that the SEs significantly reduce the particle exhaust capabilities in steady state operation; this is a concern for W7-X. To test and further quantify this deleterious effect, physics experiments with a prototype SE should be performed as soon as possible, ideally in the first operation campaigns before the approximately two-year break needed to complete W7-X for steady-state operation. In this first operation phase, however, the necessary

  7. Two-dimensional Ising-like model with specific edge effects for spin-crossover nanoparticles: A Monte Carlo study

    Science.gov (United States)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, F.

    2011-08-01

    We analyzed the size effect of spin-crossover transition nanoparticles in a two-dimensional core-shell model, where the edge atoms are constrained to the high-spin (HS) state. Using Monte Carlo (MC) simulations, we showed that this specific edge effect lowers the equilibrium temperature and enhances the HS residual at low temperature; these results are in very good agreement with recent experimental data. Within a very simple working assumption, we obtained an analytical expression for the size dependence of the equilibrium temperature that is in excellent agreement with the MC results. The model leads to a nontrivial size dependence of the hysteresis width, which is similar to a—size-dependent—negative pressure effect induced by the HS edges. To reach the best agreement with experimental data, we accounted for the size distribution of the experimental samples.

  8. The Lived Experiences of Leading Edge Certified Elementary School Teachers Who Use Instructional Technology to Foster Critical Thinking, Collaboration, Creativity, and Communication in Their Classrooms: A Phenomenological Study

    Science.gov (United States)

    Ruddell, Natalie

    2017-01-01

    Purpose: The purpose of this phenomenological study was to describe the perceptions of current and former Leading Edge Certified (LEC) elementary school teachers regarding instructional technology practices that facilitate students' development of critical thinking, collaboration, communication, and creativity (4Cs) in one-to-one computer…

  9. Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dyar, M. Darby; McCanta, Molly; Breves, Elly; Carey, C. J.; Lanzirotti, Antonio

    2016-03-01

    Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yield accurate results from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.

  10. Accurate predictions of iron redox state in silicate glasses: A multivariate approach using X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dyar, M. Darby; McCanta, Molly; Breves, Elly; Carey, C. J.; Lanzirotti, Antonio

    2016-03-01

    Pre-edge features in the K absorption edge of X-ray absorption spectra are commonly used to predict Fe3+ valence state in silicate glasses. However, this study shows that using the entire spectral region from the pre-edge into the extended X-ray absorption fine-structure region provides more accurate results when combined with multivariate analysis techniques. The least absolute shrinkage and selection operator (lasso) regression technique yields %Fe3+ values that are accurate to ±3.6% absolute when the full spectral region is employed. This method can be used across a broad range of glass compositions, is easily automated, and is demonstrated to yield accurate results from different synchrotrons. It will enable future studies involving X-ray mapping of redox gradients on standard thin sections at 1 × 1 μm pixel sizes.

  11. Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

    KAUST Repository

    Wang, Hongtao

    2012-01-01

    Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. © 2012 The Royal Society of Chemistry.

  12. Low-temperature hydrogen absorption in metallic nanocontacts studied by point-contact spectroscopy measurements

    Science.gov (United States)

    Takata, H.; Islam, M. S.; Ienaga, K.; Inagaki, Y.; Hashizume, K.; Kawae, T.

    2017-09-01

    We report on hydrogen (H) and deuterium (D) atoms absorption below T = 20 K in metallic palladium (Pd) via quantum tunnelling (QT). When a small bias voltage is applied between Pd nanocontacts that are immersed in liquid H2 (D2), the differential conductance spectra measured by point-contact spectroscopy change enormously. The results indicate H (D) absorption in Pd nanocontacts at the temperature where H (D) absorption due to thermal hopping process is not expected, and can be explained by QT. The QT occurs when the energy level of the potential well trapping the H (D) atom coincides with those not trapping the H (D) atom, and is assisted by phonons induced by ballistic electrons.

  13. Quantum theory and experimental studies of absorption spectra and photoisomerization of azobenzene polymers

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Ramanujam, P.S.; Johansen, P.M.

    1998-01-01

    The microscopic properties of azobenzene chromophores are important for a correct description of optical storage systems based on photoinduced anisotropy in azobenzene polymers. A quantum model of these properties is presented and verified by comparison to experimental absorption spectra for trans...... and cis isomers of cyano methoxy azobenzene. In addition, the trans --> cis quantum efficiency is measured, and hence the combined experimental and theoretical work allows one to determine the essential molecular properties, including magnitude and anisotropy of the absorption cross section and various...

  14. A single-dose PK study of onapristone including the effect of food on absorption.

    Science.gov (United States)

    Rezai, Keyvan; Chassard, Didier; Denot, Caroline; Proniuk, Stefan; Zukiwski, Alexander; Gilles, Erard; Ramos, Haydeé L; Patat, Alain; Bexon, Alice; Lokiec, François

    2015-07-01

    Onapristone is an antiprogestin with activity in breast cancer and is under investigation for use in endometrial, ovarian and prostate cancers. Megestrol acetate and abiraterone generally show variability in absorption and, depending on the formulation, food effect. This study was conducted to determine the effect of food on 10 mg oral immediate-release (IR) onapristone and to help identify a formulation to minimize variability. This is an open-label, randomized, crossover study to determine the pharmacokinetic profile of onapristone and its main metabolite, N-mono-desmethyl onapristone. Twelve healthy female subjects received 10 mg of oral IR onapristone after an overnight fast, or within 30 min of a high-fat, high-calorie meal with a 2-week washout between dosing periods. Onapristone plasma t1/2 (mean ± SD) was 4.36 ± 0.81 h for the fasted state and 3.76 ± 0.36 h for the fed state. Following food, onapristone tmax was delayed from 1 to 4 h. Food intake was also associated with a small increase in AUC0-∞ of approximately 13 % and a statistically significant decrease in Cmax of approximately 18 %. One subject experienced a 23-day delay in menses after one 10 mg onapristone dose, while another subject experienced transient grade 2 NCI-CTCAE liver enzyme elevation 3 weeks post dose. The results are consistent with previous observations, indicating that there is a small increase in onapristone exposure and a significant decrease in Cmax when taken with food. These changes are within acceptable limits set out by the FDA. Thus, our findings indicate that onapristone could be administered without regard to food.

  15. Nutrition and magnesium absorption

    NARCIS (Netherlands)

    Brink, E.J.

    1992-01-01

    The influence of various nutrients present in dairy products and soybean-based products on absorption of magnesium has been investigated. The studies demonstrate that soybean protein versus casein lowers apparent magnesium absorption in rats through its phytate component. However, true

  16. Atropisomerism in bisphenols: free jet absorption millimeter wave study of 2,2$prime;-biphenol

    Science.gov (United States)

    Ottaviani, Paolo; Maris, Assimo; Caminati, Walther

    2004-06-01

    The rotational spectrum of 2,2'-biphenol has been investigated by millimeter wave absorption free jet spectroscopy. The two sides of the phenyl rings with attached the hydroxyl group form a dihedral angle of 112.7°. Each hydroxyl group is nearly co-planar to the ring to which it belongs, and points towards the π system of the adjacent ring.

  17. Variational finite element method to study the absorption rate of drug ...

    African Journals Online (AJOL)

    Methods: The finite element method has been used to obtain the solution of the mass diffusion equation with appropriate boundary conditions. The tissue absorption rate of drug has been taken as the decreasing function of drug concentration from the skin surface towards the target site. The concentration at nodal points ...

  18. Study of the mathematical model for absorption and diffusion in ultra-napkins

    Directory of Open Access Journals (Sweden)

    Paola Mannucci

    1995-11-01

    Full Text Available We anlyse a mathematical model for absorption and diffusion of a fluid in ultra-napkins. We consider a diffusion equation coupled with an ordinary differential equation, subjected to a discontinuous Neumann boundary condition.We prove the existence and the uniqueness of a regular solution which is continuous up to the boundary.

  19. A numerical study of a method for measuring the effective in situ sound absorption coefficient

    NARCIS (Netherlands)

    Kuipers, E.R.; Wijnant, Ysbrand H.; de Boer, A

    2012-01-01

    The accuracy of a method [Wijnant et al., “Development and applica- tion of a new method for the in-situ measurement of sound absorption”, ISMA 31, Leuven, Belgium (2010).], for measurement of the effective area-averaged in situ sound absorption coefficient is investigated. Based on a local plane

  20. Study and development of an in situ acoustic absorption measurement method

    NARCIS (Netherlands)

    Tijs, E.

    2013-01-01

    Sound absorbing materials are used in many applications to attenuate unwanted noise. However, existing measurement methods can only be used on a limited number of material packages and under restricted circumstances. Since PU probes are relatively new, the possibilities they offer for (absorption)

  1. Experimental study of negative temperatures in lithium-bromide absorption refrigerating machines

    Science.gov (United States)

    Stepanov, K. I.; Mukhin, D. G.; Alekseenko, S. V.; Volkova, O. V.

    2015-07-01

    The authors have developed a method and presented experimental data for obtaining negative temperatures of evaporation in lithium-bromide absorption chillers driven by heat recovery. It has been found that the attainable temperature of the refrigerated medium is the value of -5 °C.

  2. Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

    DEFF Research Database (Denmark)

    Martínez-Fernández, L.; Fahleson, Tobias; Norman, Patrick

    2017-01-01

    The excited electronic states of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing the magnetic circular dichroism (MCD) and one-photon absorption (OPA) spectra at the time-depe...

  3. Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studies.

    Science.gov (United States)

    Kayal, Surajit; Roy, Khokan; Umapathy, Siva

    2018-01-14

    Ultrafast torsional dynamics plays an important role in the photoinduced excited state dynamics. Tetraphenylethylene (TPE), a model system for the molecular motor, executes interesting torsional dynamics upon photoexcitation. The photoreaction of TPE involves ultrafast internal conversion via a nearly planar intermediate state (relaxed state) that further leads to a twisted zwitterionic state. Here, we report the photoinduced structural dynamics of excited TPE during the course of photoisomerization in the condensed phase by ultrafast Raman loss (URLS) and femtosecond transient absorption (TA) spectroscopy. TA measurements on the S1 state reveal step-wise population relaxation from the Franck-Condon (FC) state → relaxed state → twisted state, while the URLS study provides insights on the vibrational dynamics during the course of the reaction. The TA spectral dynamics and vibrational Raman amplitudes within 1 ps reveal vibrational wave packet propagating from the FC state to the relaxed state. Fourier transformation of this oscillation leads to a ∼130 cm-1 low-frequency phenyl torsional mode. Two vibrational marker bands, Cet=Cet stretching (∼1512 cm-1) and Cph=Cph stretching (∼1584 cm-1) modes, appear immediately after photoexcitation in the URLS spectra. The initial red-shift of the Cph=Cph stretching mode with a time constant of ∼400 fs (in butyronitrile) is assigned to the rate of planarization of excited TPE. In addition, the Cet=Cet stretching mode shows initial blue-shift within 1 ps followed by frequency red-shift, suggesting that on the sub-picosecond time scale, structural relaxation is dominated by phenyl torsion rather than the central Cet=Cet twist. Furthermore, the effect of the solvent on the structural dynamics is discussed in the context of ultrafast nuclear dynamics and solute-solvent coupling.

  4. Feasibility Study of Multi-Wavelength Differential Absorption LIDAR for CO2 Monitoring

    Directory of Open Access Journals (Sweden)

    Chengzhi Xiang

    2016-06-01

    Full Text Available To obtain a better understanding of carbon cycle and accurate climate prediction models, highly accurate and temporal resolution observation of atmospheric CO2 is necessary. Differential absorption LIDAR (DIAL remote sensing is a promising technology to detect atmospheric CO2. However, the traditional DIAL system is the dual-wavelength DIAL (DW-DIAL, which has strict requirements for wavelength accuracy and stability. Moreover, for on-line and off-line wavelengths, the system’s optical efficiency and the change of atmospheric parameters are assumed to be the same in the DW-DIAL system. This assumption inevitably produces measurement errors, especially under rapid aerosol changes. In this study, a multi-wavelength DIAL (MW-DIAL is proposed to map atmospheric CO2 concentration. The MW-DIAL conducts inversion with one on-line and multiple off-line wavelengths. Multiple concentrations of CO2 are then obtained through difference processing between the single on-line and each of the off-line wavelengths. In addition, the least square method is adopted to optimize inversion results. Consequently, the inversion concentration of CO2 in the MW-DIAL system is found to be the weighted average of the multiple concentrations. Simulation analysis and laboratory experiments were conducted to evaluate the inversion precision of MW-DIAL. For comparison, traditional DW-DIAL simulations were also conducted. Simulation analysis demonstrated that, given the drifting wavelengths of the laser, the detection accuracy of CO2 when using MW-DIAL is higher than that when using DW-DIAL, especially when the drift is large. A laboratory experiment was also performed to verify the simulation analysis.

  5. Feasibility study of mid-infrared absorption spectroscopy using electrospray ionization

    Science.gov (United States)

    Ahmed, Tahsin; Foster, Erick; Bohn, Paul; Howard, Scott

    2016-09-01

    Precise detection of trace amount of molecules, such as the disease biomarkers present in biofluids or explosive residues, requires high sensitivity detection. electrospray ionization-mass spectrometry (ESI-MS) is a common and effective technique for sensitive trace molecular detection in small-volume liquid samples. In ESI-MS, nano-liter volume samples are ionized and aerosolized by ESI, and fed into MS for mass analysis. ESI-MS has proven to be a reliable ionization technique for coupling liquid phase separations like liquid chromatography (LC) and capillary zone electrophoresis (CE) with the highly specific resolving power of MS. While CE and ESI can be performed on a microfluidic chip having a footprint of a few cm2, MS is typically at least 100 times bigger in size than a micro-chip. A reduced size, weight, and power profile would enable semi-portable applications in forensics, environmental monitoring, defense, and biological/pharmaceutical applications. To achieve this goal, we present an initial study evaluating the use of mid-infrared absorption spectroscopy (MIRAS) in place of MS to create a ESI-MIRAS system. To establish feasibility, we perform ESI-MIRAS on phospholipid samples, which have been previously demonstrated to be separable by CE. Phospholipids are biomarkers of degenerative neurological, kidney, and bone diseases and can be found in biofluids such as blood, urine and cerebrospinal fluid. To establish sensitivity limits, calibration samples of 100 μM concentration are electrospray deposited on to a grounded Si wafer for different times (1 minutes to 4 minutes with a 1 minute step). The minimum detectable concentration-time product, where a FTIR globar is used as the MIR source, is found 200 μM·s.

  6. Absorption enhancement in ultra-thin textured AlGaAs films

    Energy Technology Data Exchange (ETDEWEB)

    Boroditsky, Misha [Physics Department, University of California, Los Angeles, CA (United States); Ragan, Regina [Electrical Engineering Department, California Institute of Technology, Los Angeles, CA 90095-1594 (United States); Yablonovitch, Eli [Electrical Engineering Department, University of California, M/S 56-125B, Engineering IV, Los Angeles, CA 90095-1594 (United States)

    1999-02-22

    We have studied light randomization and the absorption enhancement in textured ultra-thin Al{sub x}Ga{sub 1-x}As films, with a thickness corresponding to a few optical wavelengths. A correlation between the degree of light randomization and trapping, with the scale length of the texturization geometry was found. The observed absorption enhancement corresponds to 90% of the best possible theoretical value, or 90% light randomization. A modified photon gas model is proposed to calculate the light trapping and absorption at the band edge in the textured thin films

  7. Quantitative investigation of the edge enhancement in in-line phase contrast projections and tomosynthesis provided by distributing microbubbles on the interface between two tissues: a phantom study

    Science.gov (United States)

    Wu, Di; Donovan Wong, Molly; Li, Yuhua; Fajardo, Laurie; Zheng, Bin; Wu, Xizeng; Liu, Hong

    2017-12-01

    The objective of this study was to quantitatively investigate the ability to distribute microbubbles along the interface between two tissues, in an effort to improve the edge and/or boundary features in phase contrast imaging. The experiments were conducted by employing a custom designed tissue simulating phantom, which also simulated a clinical condition where the ligand-targeted microbubbles are self-aggregated on the endothelium of blood vessels surrounding malignant cells. Four different concentrations of microbubble suspensions were injected into the phantom: 0%, 0.1%, 0.2%, and 0.4%. A time delay of 5 min was implemented before image acquisition to allow the microbubbles to become distributed at the interface between the acrylic and the cavity simulating a blood vessel segment. For comparison purposes, images were acquired using three system configurations for both projection and tomosynthesis imaging with a fixed radiation dose delivery: conventional low-energy contact mode, low-energy in-line phase contrast and high-energy in-line phase contrast. The resultant images illustrate the edge feature enhancements in the in-line phase contrast imaging mode when the microbubble concentration is extremely low. The quantitative edge-enhancement-to-noise ratio calculations not only agree with the direct image observations, but also indicate that the edge feature enhancement can be improved by increasing the microbubble concentration. In addition, high-energy in-line phase contrast imaging provided better performance in detecting low-concentration microbubble distributions.

  8. New views on intestinal absorption of lipids in teleostean fishes: an ultrastructural and biochemical study in the rainbow trout.

    Science.gov (United States)

    Sire, M F; Lutton, C; Vernier, J M

    1981-01-01

    Lipid absorption in rainbow trout was studied after gastric administration of [1-14C]linoleic and [1-14C]-palmitic acids. The intestinal epithelial cells were isolated at various times of absorption and the major lipid classes were isolated. Radioactivity was found primarily in the triglycerides. Blood radioactivity was measured at different times after administration of the labeled acids. It was very low until after 6 hr. After 4 hr when it was detectable, it was located essentially in the triglyceride fraction. At various times after feeding (a meal with 60% of unsaturated long chain fatty acids) the absorptive epithelium of the anterior intestine and pyloric caeca were examined by electron microscopy. Surprisingly, the esterification of fatty acids corresponded to the formation of VLDL-like particles, seen in SER, RER, Golgi apparatus, lamellar structures, intercellular space, interstitial space of lamina propria and lumen of lymphatic vessels. The respective roles of endoplasmic reticulum and Golgi apparatus in the lipoprotein synthesis are discussed. The particles are delivered in the intercellular spaces by way of the lamellar structures, whose role until now was unknown. Though the absorption of dietary triglycerides is much slower than in mammals, the mechanism does not differ fundamentally. The long chain fatty acids are esterified by the intestinal cells and transferred as VLDL-like particles to lymph. X

  9. Comparative Evaluation of Sealing Ability, Water Absorption, and Solubility of Three Temporary Restorative Materials: Anin vitroStudy.

    Science.gov (United States)

    Prabhakar, A R; Shantha Rani, N; V Naik, Saraswathi

    2017-01-01

    The quality of the coronal seal of root canal filling material is important for periapical health. Absorption of water or saliva by the temporary restorative materials leads to dimensional changes, loss of retention, staining and breaking in margin contours. Hence this study was carried out to evaluate and compare the sealing properties, water absorption and solubility of IRM (intermediate restorative material), Cavit G and GC Caviton. Experimental, in vitro intergroup randomized control trial. 36 non carious premolars were randomly selected assigned to three groups, 12 teeth in each. Standard endodontic access cavities of approximately 4x4mm wide were prepared followed by the root canal obturation with Gutta-percha and restoration with experimental materials. For microleakage testing dye penetration method was used with 2% methylene blue dye. Followed by evaluation and scoring under stereomicroscope at 40x magnification. Disc shaped 12 specimens for each group were prepared for each material, stored in desiccator at 37° C, weighed daily to verify mass stabilization (dry mass,m1). Thereafter, the specimens were stored in distilled water at 37°C for 7days to obtain the mass after saturation with water (m2). The specimens were placed in the desiccators again, at 37° C, and reweighed until a constant dry mass is obtained (m3). Water absorption (WS) and solubility (SL) was determined by using the formulas, WS = m3 - m2/V and SL= ml - m3/ V. GC Caviton showed least microleakage and least water absorption followed by IRM and Cavit G, the differences were statistically highly significant ( p Cavit G. Prabhakar AR, Rani NS, Naik SV. Comparative Evaluation of Sealing Ability, Water Absorption, and Solubility of Three Temporary Restorative Materials: An in vitro Study. Int J Clin Pediatr Dent 2017;10(2):136-141.

  10. [Study on determination of eight metal elements in Hainan arecanut leaf by flame atomic absorption spectrophotometry].

    Science.gov (United States)

    Liu, Li-yun; Wang, Ping; Feng, Mei-li; Dong, Zhi-guo; Li, Jie

    2008-12-01

    Arecanut is a sort of palm that is important economic crop for the farmers in Hainan province of China, wherein there are many kinds of metal elements such as K, Ca, Na, Mg, Fe, Mn, Cu, Zn etc. These elements are important nutrition for the growth of arecanut. It is very valuable to study on the content of these metal elements in arecanut leaf in terms of plant nutriology of arecanut. The arecanut leaf in Wangling county, Hainan province of China was sampled by diagonal-field-sampling method. Refering to other plant sample determination by FAAS, the detailed studies are done with different digestion and determination methods. In the present paper the effects of mixed acid of HNO3-HClO4 digestion method on determining the amount of metal elements in the arecanut leaf by FAAS is reported, and another one is incineration digestion method. FAAS method was established for the determination of K, Ca, Mg, Na, Fe, Mn, Cu and Zn The samples were incinerated or heated with HNO3-HClO4 (4:1). In the meantime, the optimum parameters of FAAS and effects of different digestion methods on the results were discussed. The recovery rate of standard addition is 98.36%-102.38% in the first method; RSD is 0.42%-2.328% (n=6); The recovery rate of standard addition is 99.22%-103.72% in the second method; RSD is 0.58%-1.283 (n=6). The metal amount determined by the first method is lower than the second method, the ratio is 0.9703-0.9934. The two methods are satisfied, but the latter is better. It is precise enough to common experiment to use flame atomic absorption spectrophotometry with digestion by incineration If the especially precise experiment is required, the digestion methods with mixed acid of HNO3-HClO4 may be introduced. The paper introduced methods dependable for determination of some metal elements in order to study on some nutrient effects of these metal elements in arecanut.

  11. Study of molecular iodine, iodate ions, iodide ions, and triiodide ions solutions absorption in the UV and visible light spectral bands

    Science.gov (United States)

    Kireev, S. V.; Shnyrev, S. L.

    2015-07-01

    The paper reports on experimental studies concerning the absorption spectra of molecular iodine and its \\text{IO}3- , I-, \\text{I}3- anions in the spectral band of 180-600 nm. Values of the absorption cross-sections of the above mentioned substances have been measured, and relations of absorption coefficients to concentrations have been studied. The results obtained demonstrate that the spectral band under consideration is likely to be successfully used for simultaneous real-time detection of substances containing iodine with an absorption method using laser emission sources in the UV and visible light spectral bands.

  12. Magnetic anisotropy of L 10 -ordered FePt thin films studied by Fe and Pt L2,3 -edges x-ray magnetic circular dichroism

    Science.gov (United States)

    Ikeda, K.; Seki, T.; Shibata, G.; Kadono, T.; Ishigami, K.; Takahashi, Y.; Horio, M.; Sakamoto, S.; Nonaka, Y.; Sakamaki, M.; Amemiya, K.; Kawamura, N.; Suzuki, M.; Takanashi, K.; Fujimori, A.

    2017-10-01

    The strong perpendicular magnetic anisotropy of L 10 -ordered FePt has been the subject of extensive studies for a long time. However, it is not known which element, Fe or Pt, mainly contributes to the magnetic anisotropy energy. We have investigated the anisotropy of the orbital magnetic moments of Fe 3d and Pt 5d electrons in L 10 -ordered FePt thin films by Fe and Pt L2 ,3 -edge x-ray magnetic circular dichroism (XMCD) measurements for samples with various degrees of long-range chemical order S. Fe L2 ,3 -edge XMCD showed that the orbital magnetic moment was larger when the magnetic field was applied perpendicular to the film than parallel to it and that the anisotropy of the orbital magnetic moment increased with S. Pt L2 ,3 -edge XMCD also showed that the orbital magnetic moment was smaller when the magnetic field was applied perpendicular to the film than parallel to it, opposite to the Fe L2 ,3 -edge XMCD results although the anisotropy of the orbital magnetic moment increases with S like the Fe edge. These results are qualitatively consistent with the first-principles calculation by Solovyev et al. [Phys. Rev. B 52, 13419 (1995)], which also predicts the dominant contributions of Pt 5d to the magnetic anisotropy energy rather than Fe 3d due to the strong spin-orbit coupling and the small spin splitting of the Pt 5d bands in L 10 -ordered FePt.

  13. Experimental and Computational Studies on the Scattering of an Edge-Guided Wave by a Hidden Crack on a Racecourse Shaped Hole

    Directory of Open Access Journals (Sweden)

    Benjamin Steven Vien

    2017-07-01

    Full Text Available Reliable and quantitative non-destructive evaluation for small fatigue cracks, in particular those in hard-to-inspect locations, is a challenging problem. Guided waves are advantageous for structural health monitoring due to their slow geometrical decay of amplitude with propagating distance, which is ideal for rapid wide-area inspection. This paper presents a 3D laser vibrometry experimental and finite element analysis of the interaction between an edge-guided wave and a small through-thickness hidden edge crack on a racecourse shaped hole that occurs, in practice, as a fuel vent hole. A piezoelectric transducer is bonded on the straight edge of the hole to generate the incident wave. The excitation signal consists of a 5.5 cycle Hann-windowed tone burst of centre frequency 220 kHz, which is below the cut-off frequency for the first order Lamb wave modes (SH1. Two-dimensional fast Fourier transformation (2D FFT is applied to the incident and scattered wave field along radial lines emanating from the crack mouth, so as to identify the wave modes and determine their angular variation and amplitude. It is shown experimentally and computationally that mid-plane symmetric edge waves can travel around the hole’s edge to detect a hidden crack. Furthermore, the scattered wave field due to a small crack length, a, (compared to the wavelength λ of the incident wave is shown to be equivalent to a point source consisting of a particular combination of body-force doublets. It is found that the amplitude of the scattered field increases quadratically as a function of a/λ, whereas the scattered wave pattern is independent of crack length for small cracks a << λ. This study of the forward scattering problem from a known crack size provides a useful guide for the inverse problem of hidden crack detection and sizing.

  14. Anticancer efficacy and absorption, distribution, metabolism, and toxicity studies of Aspergiolide A in early drug development

    Directory of Open Access Journals (Sweden)

    Wang Y

    2014-10-01

    Full Text Available Yuanyuan Wang, Xin Qi, Dehai Li, Tianjiao Zhu, Xiaomei Mo, Jing LiKey Laboratory of Marine Drugs, Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, Qingdao, People's Republic of ChinaAbstract: Since the first anthracycline was discovered, many other related compounds have been studied in order to overcome its defects and improve efficacy. In the present paper, we investigated the anticancer effects of a new anthracycline, aspergiolide A (ASP-A, from a marine-derived fungus in vitro and in vivo, and we evaluated the absorption, distribution, metabolism, and toxicity drug properties in early drug development. We found that ASP-A had activity against topoisomerase II that was comparable to adriamycin. ASP-A decreased the growth of various human cancer cells in vitro and induced apoptosis in BEL-7402 cells via a caspase-dependent pathway. The anticancer efficacy of ASP-A on the growth of hepatocellular carcinoma xenografts was further assessed in vivo. Results showed that, compared with the vehicle group, ASP-A exhibited significant anticancer activity with less loss of body weight. A pharmacokinetics and tissue distribution study revealed that ASP-A was rapidly cleared in a first order reaction kinetics manner, and was enriched in cancer tissue. The maximal tolerable dose (MTD of ASP-A was more than 400 mg/kg, and ASP-A was not considered to be potentially genotoxic or cardiotoxic, as no significant increase of micronucleus rates or inhibition of the hERG channel was seen. Finally, an uptake and transport assay of ASP-A was performed in monolayers of Caco-2 cells, and ASP-A was shown to be absorbed through the active transport pathway. Altogether, these results indicate that ASP-A has anticancer activity targeting topoisomerase II, with a similar structure and mechanism to adriamycin, but with much lower toxicity. Nonetheless, further molecular structure optimization is necessary.Keywords: aspergiolide A, anticancer

  15. Edge passivation induced single-edge ferromagnetism of zigzag MoS{sub 2} nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Rui; Sun, Hui; Ma, Ben; Hu, Jingguo, E-mail: jghu@yzu.edu.cn; Pan, Jing, E-mail: panjing_yz@163.com

    2017-01-30

    We performed density functional theory study on electronic structure, magnetic properties and stability of zigzag MoS{sub 2} nanoribbons (ZMoS{sub 2}NRs) with and without oxygen (O) passivation. The bare ZMoS{sub 2}NRs are magnetic metal with ferromagnetic edge states, edge passivation decreases their magnetism because of the decrease of edge unsaturated electrons. Obviously, the electronic structure and magnetic properties of ZMoS{sub 2}NRs greatly depend on edge states. When both edges are passivated by O atoms, ZMoS{sub 2}NRs are nonmagnetic metals. When either edge is passivated by O atoms, the systems exhibit single-edge ferromagnetism and magnetism concentrates on the non-passivated edge. Edge passivation can not only tune the magnetism of ZMoS{sub 2}NRs, but also enhance their stability by eliminating dangling bonds. These interesting findings on ZMoS{sub 2}NRs may open the possibility of their application in nanodevices and spintronics. - Highlights: • Edge passivation for tuning magnetism of zigzag MoS{sub 2} nanoribbons (ZMoS{sub 2}NRs) is proposed. • Edge passivation can tune ZMoS{sub 2}NRs from nonmagnetic metal to ferromagnetic metal. • When either edge is passivated, the systems exhibit single-edge ferromagnetic states. • These findings may inspire great interest in the community of ZMoS{sub 2}NRs and motivate numerous experimental researches.

  16. Study on the microstructure and water absorption changes of exterior thin-layer polymer renders during natural and artificial ageing

    Directory of Open Access Journals (Sweden)

    Gintare Griciute

    2015-03-01

    Full Text Available This paper presents the experimental investigation results of exterior render of external thermal insulation composite systems (ETICS. The study involved natural (long-term and artificially accelerated (short-term ageing including effect of UV radiation. For research purposes the cycle of accelerated UV radiation ageing test, imitating the impact of one natural year in Lithuanian climate conditions, have been composed and used. In order to determine the visual, microstructure and water absorption changes and find out the correlation between the natural and artificial weathering, the results of tested aged and untreated samples have been compared. The main attention was focused on the changes of structure and physical properties after short-term and long-term ageing tests. The structural changes of render surface of ETICS after UV tests were determined using scanning electron microscope (SEM. The water absorption of ETIC system was determined by partially submerging. Analysis of render surface microstructure showed that UV rays destroy continuous polymer film on the acrylic and silicone render surface, but water absorption of ETICS does not increase in both cases. Water absorption rates of acrylic, silicon and silicate renders after one natural year of exposure become similar. The polymer film formed on exterior acrylic and silicone render surface was destroyed during one year natural and equivalent laboratory ageing. In conjunction, the carbonization process was taking place, the newly formed calcite crystals covering pores and capillaries, consequently the water absorption rate of all ETICS samples decreased.DOI: http://dx.doi.org/10.5755/j01.ms.21.1.4869

  17. Free edge effects study in laminated composites using Digital Image Correlation: effect of material and geometrical singularities

    Directory of Open Access Journals (Sweden)

    Brieu M.

    2010-06-01

    Full Text Available Composite materials are today used for various industrial applications. However, delamination on free edges, where stress gradients are strong, still remain a problem. In the aim of a better understanding of such phenomenons, Digital Image Correlation (DIC measurements have been carried out on [(15n/-15n2]s laminates under uniaxial tensile strain. Three different composites with different mechanical properties and microstructure have been tested as well as two samples geometries: flat and with ply drop. Experimental results show high shear strain concentrations near 15°/-15° interlaminar interfaces on free edges which depend on material mechanical properties and microstructure and increase in the vicinity of a geometrical singularity.

  18. Electron paramagnetic resonance, optical absorption, IR and Raman spectral studies on pelecypod shell

    Science.gov (United States)

    Lakshmi Reddy, S.; Reddy, K. N. M.; Siva Reddy, G.; Reddy, B. J.; Frost, R. L.; Endo, Tamio

    2008-02-01

    Pelecypod shell originated from Kolleru lake of Andhra Pradesh is used in the present work. It contains Mn(II) and Fe(III) in traces. The EPR spectrum of the compound is due to Mn(II) which is in three independent sites. The three g values are evaluated with slight differences. The hyperfine component varies from 9.33 to 9.49 mT. The zero field splitting parameter is also ranges from 43.8(1) to 44.1(1) mT. Using the covalence parameter the number of ligands around metal is estimated as 20. In EPR spectrum Fe(III) is identified. The optical absorption spectrum is attributed to Mn(II) in octahedral geometry. Further 10 Dq band is attributed to Fe(II) in the optical absorption spectrum. NIR spectral results are due to water fundamentals, whereas IR and Raman spectrum is due to carbonate ion fundamentals.

  19. A study into light scattering and absorption by aluminum nanoparticles in PETN

    Science.gov (United States)

    Aduev, B.; Nurmukhametov, D.; Zvekov, A.; Nikitin, A.

    2014-11-01

    The paper is devoted to experimental and theoretical research into nanopartides' optic properties in pentaerythritol tetranitrate (petn) matrix. A photometric sphere was applied for the transmittance and sum of transmittance and reflectance measurement of petn pressed pellets containing aluminum nanoparticles at the light wavelength 643 nm. The theory of light propagation in terms of spherical harmonics solution of radiative transfer equation in the slab geometry with Fresnel boundary conditions was developed. The properties of aluminum nanoparticles were evaluated in terms of Mie theory. The absorbed energy distribution inside the sample was calculated. It was shown that the Beer's type law is applicable approximately. The apparent light absorption cross section determined, which takes into account both scattering and absorption, is bigger than the geometrical one. The aluminum refractive index value, estimated during comparison of theory with the experimental data, agrees well with the handbook's data.

  20. Strontium Localization in Bone Tissue Studied by X-Ray Absorption Spectroscopy

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Raffalt, Anders Christer; Ståhl, Kenny

    2014-01-01

    Strontium has recently been introduced as a pharmacological agent for the treatment and prevention of osteoporosis. We determined the localization of strontium incorporated into bone matrix from dogs treated with Sr malonate by X-ray absorption spectroscopy. A new approach for analyzing the X......-ray absorption spectra resulted in a compositional model and allowed the relative distribution of strontium in the different bone components to be estimated. Approximately 35–45 % of the strontium present is incorporated into calcium hydroxyapatite (CaHA) by substitution of some of the calcium ions occupying...... highly ordered sites, and at least 30 % is located at less ordered sites where only the first solvation shell is resolved, suggesting that strontium is sur- rounded by only oxygen atoms similar to Sr2? in solution. Strontium was furthermore shown to be absorbed in collagen in which it obtains a higher...

  1. Excited-State Dynamics of Carotenoids Studied by Femtosecond Transient Absorption Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ingu; Pang, Yoonsoo [Department of Physics and Photon Science, Gwangju (Korea, Republic of); Lee, Sebok [Gwangju Institute of Science and Technology, Gwangju (Korea, Republic of)

    2014-03-15

    Carotenoids, natural antenna pigments in photosynthesis share a symmetric backbone of conjugated polyenes. Contrary to the symmetric and almost planar geometries of carotenoids, excited state structure and dynamics of carotenoids are exceedingly complex. In this paper, recent infrared and visible transient absorption measurements and excitation dependent dynamics of 8'-apo-β-caroten-8'-al and 7',7'-dicyano-7'-apo-β-carotene will be reviewed. The recent visible transient absorption measurements of 8'-apo-β-caroten-8'-al in polar and nonpolar solvents will also be introduced to emphasize the complex excited-state dynamics and unsolved problems in the S{sub 2} and S{sub 1} excited states.

  2. Numerical and experimental study on the ability of dynamic roughness to alter the development of a leading edge vortex

    Science.gov (United States)

    Griffin, Christopher D.

    Dynamic stall is an unsteady aerodynamic phenomenon garnering much research interest because it occurs in a variety of applications. For example, dynamic stall is known to occur on helicopter rotor blades, wind turbines, high maneuvering military aircraft, and flapping wings. Dynamic stall occurs when an aerodynamic lifting device, such as an airfoil, wing, or turbomachine blade, undergoes a rapid pitching motion. It also occurs on lifting devices that are impulsively started at high angles of attack. Dynamic stall can "delay" aerodynamic stall to angles of attack that are significantly beyond the static stall angle of attack. During dynamic stall a large leading edge vortex (LEV) is formed, which creates greater fluid acceleration over the wing or airfoil, thus sustaining lift. As this vortex is shed downstream stall eventually occurs and there is an abrupt increase in drag and a large shift in pitching moment. Research has been performed to better understand the mechanisms occurring during dynamic stall in an effort to find ways to best take advantage of the increased lift associated with dynamic stall, but avoid the downfalls that occur once stall is initiated. Few attempts have been made to alter the LEV, and these attempts have used methods associated with laminar boundary layer separation control. Although these methods have shown promise, they suffer from the drawback that they exhaust more energy than is gained by flow control, while also only being effective at certain flight regimes. The research described herein documents the first study on the ability of dynamic roughness to alter the LEV encountered on a rapidly pitching airfoil. Both numerical and experimental studies were performed, including two-dimensional and three-dimensional computational fluid dynamics (CFD) simulations as well as stereo and planar particle image velocimetry (PIV) experiments. Evidence for the ability of small scale dynamic roughness to alter the development of the LEV was

  3. Effect of trailing edge shape on the separated flow characteristics around an airfoil at low Reynolds number: A numerical study

    Science.gov (United States)

    Thomareis, Nikitas; Papadakis, George

    2017-01-01

    Direct numerical simulations of the flow field around a NACA 0012 airfoil at Reynolds number 50 000 and angle of attack 5° with 3 different trailing edge shapes (straight, blunt, and serrated) have been performed. Both time-averaged flow characteristics and the most dominant flow structures and their frequencies are investigated using the dynamic mode decomposition method. It is shown that for the straight trailing edge airfoil, this method can capture the fundamental as well as the subharmonic of the Kelvin-Helmholtz instability that develops naturally in the separating shear layer. The fundamental frequency matches well with relevant data in the literature. The blunt trailing edge results in periodic vortex shedding, with frequency close to the subharmonic of the natural shear layer frequency. The shedding, resulting from a global instability, has an upstream effect and forces the separating shear layer. Due to forcing, the shear layer frequency locks onto the shedding frequency while the natural frequency (and its subharmonic) is suppressed. The presence of serrations in the trailing edge creates a spanwise pressure gradient, which is responsible for the development of a secondary flow pattern in the spanwise direction. This pattern affects the mean flow in the near wake. It can explain an unexpected observation, namely, that the velocity deficit downstream of a trough is smaller than the deficit after a protrusion. Furthermore, the insertion of serrations attenuates the energy of vortex shedding by de-correlating the spanwise coherence of the vortices. This results in weaker forcing of the separating shear layer, and both the subharmonics of the natural frequency and the shedding frequency appear in the spectra.

  4. Theoretical Study on the Oxidation Mechanism and Dynamics of the Zigzag Graphene Nanoribbon Edge by Oxygen and Ozone

    OpenAIRE

    Xu, Kun; Ye, Peide D.

    2014-01-01

    Graphene nanoribbons (GNRs), as an emerging class of material, hold great potential for the future high speed and low power electronic and spintronic devices. The fabrication of GNRs is of the utmost interest in terms of graphene based device research. Chemical narrowing of GNRs by oxidation is a promising technique in producing nanoribbons of desired widths. In this article, we hope to elucidate the etching mechanism of zigzag GNR (ZGNR) edge by oxidation through theoretical investigations. ...

  5. [Study of self-absorption effect on laser-induced metal plasma].

    Science.gov (United States)

    Chen, Jin-Zhong; Ma, Rui-Ling; Wang, Jing; Li, Xu; Su, Hong-Xin

    2014-09-01

    In order to reduce the effect of the spectral line self-absorption on the analysis result in the laser induced plasma and enhance the qualities of spectrum, the spectral information was recorded by the spectral analysis system consisting of a modular multifunctional grating spectrometer and a CCD detector etc., and the electron temperature and electron density of the plasma were measured with the spectroscopic methods. A plane mirror device was used to constraint the laser plasma, and a reasonable explanation was got through comparing the linear evolution under different experimental conditions and measuring the temperature, electronic density and sample evaporation. The result shows that when an appropriate plane mirror device was used to constraint the laser plasma, the axial temperature of the plasma increased and the radial distribution of the plasma becomes uniform; the electron density increased dramatically; however, obviously sample evaporation decreased, which may be the reasons for being able to effectively reduce the level of self-absorption spectral lines. Therefore, the plane mirror device could reduce the self-absorption effect in the laser-induced plasma. This makes it possible to choose a sensitive line that acts as analysis line in the quantitative analysis of the major elements. In other words, this promotes the measurement precision in the laser-induced break-down spectroscopy.

  6. Further studies on the absorption of actinide elements from the gastrointestinal tract of neonatal animals

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, M.F.; Gorham, L.S. (Pacific Northwest Lab., Richland, WA (USA))

    1982-10-01

    Plutonium retention was measured after intragastric administration to neonatal rats, dogs and swine. At 1 week after administration, substantially more of the actinide remained in swine and dog than in rats. The quantity of /sup 238/Pu absorbed by piglets was markedly influenced by such factors as compound solubility, mass of plutonium administered, oxidation state of the actinide, and age of the animal at gavage. Cortisone treatment reduced absorption, but was less effective in piglets than in neonatal rats. Measurements of /sup 238/Pu transport from ligated segments of the neonatal swine intestine indicated highest absorption from the duodenum, where the actinide was shown, autoradiographically, to be deposited in the epithelial region; in the ileum, deposition was predominantly in the lacteal region. Absorption of actinides by neonatal swine decreased in the order of /sup 233/U> /sup 238/Pu>/sup 237/Np>/sup 24/4Cm>/sup 241/Am. Measurements at 1 yr after gavage showed a much higher retention by swine than by rats.

  7. Further studies on the absorption of actinide elements from the gastrointestinal tract of neonatal animals

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, M.F.; Gorham, L.S.

    1982-10-01

    Plutonium retention was measured after intragastric administration to neonatal rats, dogs and swine. At 1 week after administration, substantially more of the actinide remained in swine and dogs than in rats. The quantity of /sup 238/Pu absorbed by piglets was markedly influenced by such factors as compound solubility, mass of plutonium administered, oxidation state of the actinide, and age of the animal at gavage. Cortisone treatment reduced absorption, but was less effective in piglets than in neonatal rats. Measurements of /sup 238/Pu transport from ligated segments of the neonatal swine intestine indicated highest absorption from the duodenum, where the actinide was shown, autoradiographically, to be deposited in the epithelial region; in the ileum, deposition was predominantly in the lacteal region. Absorption of actinides by neonatal swine decreased in the order of /sup 233/U greater than /sup 238/Pu greater than /sup 237/Np greater than /sup 244/Cm greater than /sup 241/Am. Measurements at 1 yr after gavage showed a much higher retention by swine than by rats.

  8. Numerical study of the interaction of the N-wave with the plate leading edge in the supersonic stream

    Science.gov (United States)

    Khotyanovsky, Dmitry; Kudryavtsev, Alexey; Kosinov, Alexander

    2017-10-01

    The results of three-dimensional numerical simulations of the interaction of the plane N-wave propagating at an angle to the free stream in the transverse direction with the sharp and blunted leading edges of the plate in a supersonic flow are presented. Interaction of the N-wave with a weak shock attached to the leading edge of the sharp plate causes corrugation of the shock wave surface that propagates downstream. A steady pressure perturbation is also formed that propagates inside the boundary layer in the transverse direction at an angle close to the Mach angle. This perturbation causes curving of the streamlines in the boundary layer and generation of a quasi-steady vorticity disturbance. In the case of the N-wave impinging on the leading edge of the blunted plate there is a large subsonic zone behind the bow shock where the pronounced oblique directivity of the disturbance transmitted through the shock is declined. Nevertheless, local disturbances of the flow parameters are observed in the boundary layer downstream of the region of the contact of the oblique shocks of the N-wave with the bow shock.

  9. Absorption in periodic layered structures

    OpenAIRE

    Moroz, Alexander; Tip, Adriaan; Combes, Jean-Michel

    2000-01-01

    Photonic band structure of metal-dielectric and semiconductor-dielectric layered structures are studied in the presence of a strong absorption. It is shown that absorption can enlarge some gaps by as much as 50%.

  10. Statistical study of the location and size of the electron edge of the Low-Latitude Boundary Layer as observed by Cluster at mid-altitudes

    Directory of Open Access Journals (Sweden)

    Y. V. Bogdanova

    2006-10-01

    Full Text Available The nature of particle precipitations at dayside mid-altitudes can be interpreted in terms of the evolution of reconnected field lines. Due to the difference between electron and ion parallel velocities, two distinct boundary layers should be observed at mid-altitudes between the boundary between open and closed field lines and the injections in the cusp proper. At lowest latitudes, the electron-dominated boundary layer, named the "electron edge" of the Low-Latitude Boundary Layer (LLBL, contains soft-magnetosheath electrons but only high-energy ions of plasma sheet origin. A second layer, the LLBL proper, is a mixture of both ions and electrons with characteristic magnetosheath energies. The Cluster spacecraft frequently observe these two boundary layers. We present an illustrative example of a Cluster mid-altitude cusp crossing with an extended electron edge of the LLBL. This electron edge contains 10–200 eV, low-density, isotropic electrons, presumably originating from the solar wind halo population. These are occasionally observed with bursts of parallel and/or anti-parallel-directed electron beams with higher fluxes, which are possibly accelerated near the magnetopause X-line. We then use 3 years of data from mid-altitude cusp crossings (327 events to carry out a statistical study of the location and size of the electron edge of the LLBL. We find that the equatorward boundary of the LLBL electron edge is observed at 10:00–17:00 magnetic local time (MLT and is located typically between 68° and 80° invariant latitude (ILAT. The location of the electron edge shows a weak, but significant, dependence on some of the external parameters (solar wind pressure, and IMF BZ- component, in agreement with expectations from previous studies of the cusp location. The latitudinal extent of the electron edge has been estimated using new multi-spacecraft techniques. The Cluster tetrahedron crosses the electron and ion boundaries of the LLBL/cusp with

  11. Statistical study of the location and size of the electron edge of the Low-Latitude Boundary Layer as observed by Cluster at mid-altitudes

    Directory of Open Access Journals (Sweden)

    Y. V. Bogdanova

    2006-10-01

    Full Text Available The nature of particle precipitations at dayside mid-altitudes can be interpreted in terms of the evolution of reconnected field lines. Due to the difference between electron and ion parallel velocities, two distinct boundary layers should be observed at mid-altitudes between the boundary between open and closed field lines and the injections in the cusp proper. At lowest latitudes, the electron-dominated boundary layer, named the "electron edge" of the Low-Latitude Boundary Layer (LLBL, contains soft-magnetosheath electrons but only high-energy ions of plasma sheet origin. A second layer, the LLBL proper, is a mixture of both ions and electrons with characteristic magnetosheath energies. The Cluster spacecraft frequently observe these two boundary layers. We present an illustrative example of a Cluster mid-altitude cusp crossing with an extended electron edge of the LLBL. This electron edge contains 10–200 eV, low-density, isotropic electrons, presumably originating from the solar wind halo population. These are occasionally observed with bursts of parallel and/or anti-parallel-directed electron beams with higher fluxes, which are possibly accelerated near the magnetopause X-line. We then use 3 years of data from mid-altitude cusp crossings (327 events to carry out a statistical study of the location and size of the electron edge of the LLBL. We find that the equatorward boundary of the LLBL electron edge is observed at 10:00–17:00 magnetic local time (MLT and is located typically between 68° and 80° invariant latitude (ILAT. The location of the electron edge shows a weak, but significant, dependence on some of the external parameters (solar wind pressure, and IMF BZ- component, in agreement with expectations from previous studies of the cusp location. The latitudinal extent of the electron edge has been estimated using new multi-spacecraft techniques. The Cluster tetrahedron crosses the electron and ion boundaries of

  12. Nonlinear absorption in discrete systems

    Energy Technology Data Exchange (ETDEWEB)

    Spire, A; Leon, J [Physique Mathematique et Theorique, CNRS-UMR5825, Universite Montpellier 2, 34095 Montpellier (France)

    2004-10-01

    In the context of nonlinear scattering, a continuous wave incident onto a nonlinear discrete molecular chain of coupled oscillators can be partially absorbed as a result of a three-wave resonant interaction that couples two HF-waves of frequencies close to the edge of the Brillouin zone. Hence both nonlinearity and discreteness are necessary for generating this new absorption process which manifests itself by soliton generation in the medium. As a paradigm of this nonlinear absorption we consider here the Davydov model that describes exciton-phonon coupling in hydrogen-bonded molecular chains.

  13. In vivo and in vitro studies on the absorption characteristics of β-cryptoxanthin in the intestine.

    Science.gov (United States)

    Takaishi, Naoki; Satsu, Hideo; Takayanagi, Katsuhiko; Mukai, Katsuyuki; Shimizu, Makoto

    2012-01-01

    β-Cryptoxanthin (β-CRX) is a carotenoid abundantly present in the Satsuma mandarin (Citrus unshiu Marc.), one of the most popular fruits in Japan, and it is reported to have several health benefits. Although it is thought to have higher bioavailability than other carotenoids, the usual daily intake is small, and a good method to improve its bioavailability is needed. Hence we studied the effect of emulsification on the absorption characteristics of β-CRX in the intestine. Human trials showed that its serum transfer efficiency was statistically higher in the emulsified formulation than in fresh Satsuma mandarin juice. Caco-2 permeability studies indicated that emulsifiers preferentially accelerate the absorption of the non-esterified form of β-CRX, suggesting that emulsification is more effective for free β-CRX. This information might be useful to improve the efficiency of β-CRX serum transfer, as well as to increase the health benefits of β-CRX.

  14. Mn K edge XAFS of La_1-xSr_xMnO_3

    Science.gov (United States)

    Shibata, Tomohiro; Bunker, Bruce; Mitchell, John; Schiffer, Peter

    2002-03-01

    Mn K edge x-ray absorption fine structure of a canonical CMR material, La_1-xSr_xMnO_3, was measured with various compositions at 10K and 290K in order to study the local distortion-- non-distortion of Mn-O octahedron. The results are compared with the previous pair density function [D.Louca, et al, Phys.Rev.B 56, R8475(1997)] and diffraction results. The detailed fit results will be presented.

  15. Bayesian inversion from sabine absorption coefficients to flow resistivity values for porous absorbers

    DEFF Research Database (Denmark)

    Jeong, Cheol-Ho

    2015-01-01

    The Sabine absorption coefficient, as the equivalent absorption coefficient of a test specimen in a reverberation chamber based on two reverberation time sets with and without an absorber specimen according to ISO 354, has several problems. The most prominent problem is that the Sabine absorption...... coefficient of an identical specimen varies largely with the test reverberation chamber where it is measured. Therefore, the measured quantity is regarded as a combination of the true absorption characteristic of the specimen and a factor exclusively added by the room. In this study, a Bayesian framework...... to determine the flow resistivity of a porous material from the Sabine absorption coefficient was investigated through a reliable model. The model for the flow resistivity estimation is based on an equivalent fluid model, i.e., Miki’s model, together with the most advanced model that accounts for edge...

  16. Absorption coefficients of CFC-11 and CFC-12 needed for atmospheric remote sensing and global warming studies

    Science.gov (United States)

    Varanasi, Prasad

    1992-01-01

    Spectral absorption coefficients k(v) in the atmospheric window are reported for CFC-11 and CFC-12. Data obtained with a grating spectrometer are compared with NCAR cross sections and measurements of k(v) made with a tunable diode laser spectrometer at various temperature-pressure combinations representing tangent heights or layers in the atmosphere are presented. The results are suitable for atmospheric remote sensing and global warming studies.

  17. An X-ray absorption spectroscopic study on mixed conductive La0.6Sr0.4Co0.8Fe0.2O(3-δ) cathodes. I. Electrical conductivity and electronic structure.

    Science.gov (United States)

    Orikasa, Yuki; Ina, Toshiaki; Nakao, Takayuki; Mineshige, Atsushi; Amezawa, Koji; Oishi, Masatsugu; Arai, Hajime; Ogumi, Zempachi; Uchimoto, Yoshiharu

    2011-10-06

    The electrical conduction mechanism of mixed conductive perovskite oxides, La(0.6)Sr(0.4)Co(0.8)Fe(0.2)O(3-δ), for cathode materials of solid oxide fuel cells has been investigated from electronic structural changes during oxygen vacancy formation. La(0.6)Sr(0.4)Co(0.8)Fe(0.2)O(3-δ) was annealed under various oxygen partial pressures p(O(2))s at 1073 K and quenched. Iodometric titration indicated that the oxygen nonstoichiometry of La(0.6)Sr(0.4)Co(0.8)Fe(0.2)O(3-δ) depended on the annealing p(O(2)), with more oxygen vacancies introduced at lower than at higher p(O(2))s. X-Ray absorption spectroscopic measurements were performed at the O K-, Co L-, Fe L-, Co K-, and Fe K-edges. The valence states of the Co and Fe ions were investigated by the X-ray absorption near edge structure (XANES) at the Co and Fe L(III)-edges. While the Fe average valence was almost constant, the valence of the Co ions decreased with oxygen vacancy introduction. The O K-edge XANES spectra indicated that electrons were injected into the Co 3d/O 2p hybridization state with oxygen vacancy introduction. Both absorption edges at the Co and Fe K-edge XANES shifted towards lower energies with oxygen vacancy introduction. The shift at the Co K-edge resulted from the decrease in the Co average valence and that at the Fe K-edge appeared to be caused by changes in the coordination environment around the Fe ions. The total conductivity of La(0.6)Sr(0.4)Co(0.8)Fe(0.2)O(3-δ) decreased with decreasing p(O(2)), due to a decreasing hole concentration.

  18. Narrative absorption

    DEFF Research Database (Denmark)

    Narrative Absorption brings together research from the social sciences and Humanities to solve a number of mysteries: Most of us will have had those moments, of being totally absorbed in a book, a movie, or computer game. Typically we do not have any idea about how we ended up in such a state. No...

  19. Study on the optical absorption and green emission of ZnO phosphors by varying Al doping contents

    Science.gov (United States)

    Li, Chundong; Lv, Jinpeng; Liang, Zhiqiang; Yao, Shulong

    2013-01-01

    The blue band optical absorption and green luminescence of ZnO phosphors doping with aluminum are systematic studied. The Al content is varied from 0.01 at.% to 1 at.%. SEM images illustrated that Al doping can effectively suppress the ZnO grain growth. XRD results clearly manifest that the Al solubility limit in ZnO is around 0.1 at.%. It is also found that the E1 (LO) vibration mode in the Raman spectra exhibits a good correlation with the blue band optical absorption and green photoluminescence. The results revealed that both VO0 and VO+ can give rise to the E1 (LO) vibration mode. We conclude that the VO and Oi defects are the dominant reason of the green photoluminescence in ZnO phosphors, in oxygen-deficient and oxygen-rich conditions, respectively.

  20. Effect of edge plasmons on the optical properties of MoS2 monolayer flakes

    Science.gov (United States)

    Rossi, Tuomas P.; Winther, Kirsten T.; Jacobsen, Karsten W.; Nieminen, Risto M.; Puska, Martti J.; Thygesen, Kristian S.

    2017-10-01

    Finite MoS2 nanoparticles are known to support metallic edge states that are responsible for their catalytic activity. In this work we employ time-dependent density-functional theory (TDDFT) to study the influence of such edge states on the optical properties of triangular MoS2 monolayer flakes. We find that the edge states support collective plasmon-like excitations that couple strongly to the optical field leading to pronounced absorption peaks below the onset of interband transitions on the basal plane. Additionally, structural relaxation of the flakes can significantly distort the edge states. Thus, we observe that while an evenly-spaced edge configuration supports one-dimensional (1D) plasmon modes similar to those of an ideal 1D electron gas, the relaxed structures show mixed plasmon and single-electron excitations in the low-energy response. Our findings illustrate the sensitivity of the optical response of MoS2 nanostructures to the details of the edge configuration.

  1. Ultra-fast X-ray absorption spectroscopy for the study of matter in transient regime; Spectroscopie d'absorption ultra-rapide de rayonnement X pour l'etude de la matiere en regime transitoire

    Energy Technology Data Exchange (ETDEWEB)

    Lecherbourg, L

    2007-12-15

    In this work, we study the physics of dense matter, plasmas or solids, using X-ray absorption spectroscopy. Through the use of sources produced by laser-matter interaction, we have measured the absorption spectra of aluminum and bromine plasmas, as well as those of vanadium dioxide (VO{sub 2}). The measurement of absorption coefficients allows us to probe the dense matter and to study its properties. The experiments are carried out following the same principle: they use the same experimental set-up, called pump-probe. When the matter is dense, the absorption properties of an atom are modified by the surrounding environment. In a plasma, it is mainly the bound- bound transitions which are altered: the shapes of those spectral rays are modified. In a solid, the position of the neighbouring atoms in relation to the absorbing atom modify the structure of absorption levels (bound-free transition). The study of this structure allows us to measure the parameters of the material, and provides information such as the state of the electronic band or the interatomic gaps. The experiments carried out at the LULI have allowed us to probe plasmas in the relatively unknown regime of the Warm Dense Matter. One of the key parameters is that the plasma is characterised independently (FDI diagnostic). It allows for a better comparison of the measured absorption against a calculation made with the numerical model OPA-S. The experiments carried out at INRS have led to the realisation of an experimental system having the characteristics which allow the study of the dynamics of solids showing ultra-fast phase transition. For those experiments, we have used vanadium dioxide as a model system allowing us to test the feasibility of the method. (author)

  2. Validation of phenol red versus gravimetric method for water reabsorption correction and study of gender differences in Doluisio's absorption technique.

    Science.gov (United States)

    Tuğcu-Demiröz, Fatmanur; Gonzalez-Alvarez, Isabel; Gonzalez-Alvarez, Marta; Bermejo, Marival

    2014-10-01

    The aim of the present study was to develop a method for water flux reabsorption measurement in Doluisio's Perfusion Technique based on the use of phenol red as a non-absorbable marker and to validate it by comparison with gravimetric procedure. The compounds selected for the study were metoprolol, atenolol, cimetidine and cefadroxil in order to include low, intermediate and high permeability drugs absorbed by passive diffusion and by carrier mediated mechanism. The intestinal permeabilities (Peff) of the drugs were obtained in male and female Wistar rats and calculated using both methods of water flux correction. The absorption rate coefficients of all the assayed compounds did not show statistically significant differences between male and female rats consequently all the individual values were combined to compare between reabsorption methods. The absorption rate coefficients and permeability values did not show statistically significant differences between the two strategies of concentration correction. The apparent zero order water absorption coefficients were also similar in both correction procedures. In conclusion gravimetric and phenol red method for water reabsorption correction are accurate and interchangeable for permeability estimation in closed loop perfusion method. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Electrolyte changes: An indirect method to assess irrigation fluid absorption complications during transurethral resection of prostate: A prospective study

    Directory of Open Access Journals (Sweden)

    Gupta Kumkum

    2010-01-01

    Full Text Available Context: Fluid absorption is inevitable complication of transuretheral resection of prostate and serum electrolytes changes can indirectly assess the irrigation fluid absorption. Aims: To monitor the extent of 1.5% glycineirrigation fluid absorption during transurethral resection of prostate (TURP, by measuring the changes of serum sodium and potassium levels peri-operatively. Settings and Design: This is a randomized prospective cohort observational study. Materials and Methods: The 86 male patients of ASA grades I to III in the age group of 50 to 80 years, scheduled for elective TURP surgery under central neuraxial block, were studied. Their preoperative and post-operative serum sodium, potassium and calcium levels were measured. When duration of surgery exceeds 60 min, serum sodium and potassium levels were done intra-operatively with venous blood samples by using blood gas analyser. The height of irrigation fluid column was kept constant at 60 cm. These changes were correlated with the volume of irrigating fluid used, duration of procedure and the volume of prostate gland resected. Statistical Analysis Used: The values of pre and postoperative sodium, potassium and calcium serum levels were compared and statistical significance of the difference in values was assessed using Student′s paired t test. Results: Statistically significant reduction of serum sodium levels (hyponatremia and elevation of serum potassium levels (hyperkalemia were observed post-operatively, which was directly proportional to volume of irrigating fluid used, duration of procedure and volume of prostate gland resected. No significant changes in serum calcium level were observed. Conclusions: To measure serum electrolytes changes during TURP surgery, it is simple and economical method for indirect assessment of fluid absorption for early identification of TURP syndrome.

  4. Intricacies of the Co3 + spin state in Sr2Co0.5Ir0.5O4 : An x-ray absorption and magnetic circular dichroism study

    Science.gov (United States)

    Agrestini, S.; Kuo, C.-Y.; Mikhailova, D.; Chen, K.; Ohresser, P.; Pi, T. W.; Guo, H.; Komarek, A. C.; Tanaka, A.; Hu, Z.; Tjeng, L. H.

    2017-06-01

    We report on a combined soft x-ray absorption and magnetic circular dichroism (XMCD) study at the Co-L3 ,2 edge on the hybrid 3 d /5 d solid state oxide Sr2Co0.5Ir0.5O4 with K2NiF4 structure. Our data indicate unambiguously a pure high spin state (S =2 ) for the Co3 + (3 d6 ) ions with a significant unquenched orbital moment Lz/2 Sz=0.25 despite the sizable elongation of the CoO6 octahedra. Using quantitative model calculations based on parameters consistent with our spectra, we have investigated the stability of this high spin state with respect to the competing low spin and intermediate spin states.

  5. Absorption characteristics of bacteriorhodopsin molecules

    Indian Academy of Sciences (India)

    The analytical expression for the absorption coefficient of BR film is applied to study the absorption characteristics of BR molecules in a typical laser system operating at funda- mental wavelength 514 nm. The experimental data available for the absorption coefficients of the levels B and M corresponding to the wavelength ...

  6. Fixed Full Arches Supported by Tapered Implants with Knife-Edge Thread Design and Nanostructured, Calcium-Incorporated Surface: A Short-Term Prospective Clinical Study

    Directory of Open Access Journals (Sweden)

    Soheil Bechara

    2017-01-01

    Full Text Available Purpose. To evaluate implant survival, peri-implant bone loss, and complications affecting fixed full-arch (FFA restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface. Methods. Between January 2013 and December 2015, all patients referred for implant-supported FFA restorations were considered for enrollment in this study. All patients received implants with a knife-edge thread design and nanostructured calcium-incorporated surface (Anyridge®, Megagen, South Korea were restored with FFA restorations and enrolled in a recall program. The final outcomes were implant survival, peri-implant bone loss, biologic/prosthetic complications, and “complication-free” survival of restorations. Results. Twenty-four patients were selected. Overall, 215 implants were inserted (130 maxilla, 85 mandible, 144 in extraction sockets and 71 in healed ridges. Thirty-six FFAs were delivered (21 maxilla, 15 mandible: 27 were immediately loaded and 9 were conventionally loaded. The follow-up ranged from 1 to 3 years. Two fixtures failed, yielding an implant survival rate of 95.9% (patient-based. A few complications were registered, for a “complication-free” survival of restorations of 88.9%. Conclusions. FFA restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface are successful in the short term, with high survival and low complication rates; long-term studies are needed to confirm these outcomes.

  7. A study on the edge chipping according to spindle speed and inclination angle of workpiece in laser-assisted milling of silicon nitride

    Science.gov (United States)

    Woo, Wan-Sik; Lee, Choon-Man

    2018-02-01

    Ceramics are difficult to machine due to their high hardness and brittleness. As an effective method for machining ceramics, laser-assisted machining (LAM) has been studied by many researchers. In particular, many studies of methods to improve the machinability of silicon nitride using LAM have been performed. However, there is little research on the effect of the inclination angle of the workpiece, because varying the angle increases the difficulty of controlling the laser preheating and tool path. This paper investigates the effect of preheating temperature, spindle speed and inclination angle of the workpiece on edge chipping of silicon nitride in an effort to obtain an enhanced surface finish using laser-assisted milling (LAMill). The machining conditions were determined by considering the parameters that can reduce edge chipping using related theory. Experimental results showed a reduction in edge chipping based on increases in preheating temperature, spindle speed and inclination angle of the workpiece. Also, by increasing the spindle speed and the inclination angle of the workpiece, surface roughness was decreased due to reduction in the cutting force. The energy efficiency of LAMill by comparing the specific cutting energy according to the machining conditions is analyzed.

  8. Fixed Full Arches Supported by Tapered Implants with Knife-Edge Thread Design and Nanostructured, Calcium-Incorporated Surface: A Short-Term Prospective Clinical Study

    Science.gov (United States)

    Bechara, Soheil; Lukosiunas, Algirdas; Kubilius, Ricardas

    2017-01-01

    Purpose. To evaluate implant survival, peri-implant bone loss, and complications affecting fixed full-arch (FFA) restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface. Methods. Between January 2013 and December 2015, all patients referred for implant-supported FFA restorations were considered for enrollment in this study. All patients received implants with a knife-edge thread design and nanostructured calcium-incorporated surface (Anyridge®, Megagen, South Korea) were restored with FFA restorations and enrolled in a recall program. The final outcomes were implant survival, peri-implant bone loss, biologic/prosthetic complications, and “complication-free” survival of restorations. Results. Twenty-four patients were selected. Overall, 215 implants were inserted (130 maxilla, 85 mandible), 144 in extraction sockets and 71 in healed ridges. Thirty-six FFAs were delivered (21 maxilla, 15 mandible): 27 were immediately loaded and 9 were conventionally loaded. The follow-up ranged from 1 to 3 years. Two fixtures failed, yielding an implant survival rate of 95.9% (patient-based). A few complications were registered, for a “complication-free” survival of restorations of 88.9%. Conclusions. FFA restorations supported by implants with a knife-edge thread design and nanostructured, calcium-incorporated surface are successful in the short term, with high survival and low complication rates; long-term studies are needed to confirm these outcomes. PMID:28246595

  9. On the edge: haptic discrimination of edge sharpness.

    Directory of Open Access Journals (Sweden)

    Andy L Skinner

    Full Text Available The increasing ubiquity of haptic displays (e.g., smart phones and tablets necessitates a better understanding of the perceptual capabilities of the human haptic system. Haptic displays will soon be capable of locally deforming to create simple 3D shapes. This study investigated the sensitivity of our haptic system to a fundamental component of shapes: edges. A novel set of eight high quality shape stimuli with test edges that varied in sharpness were fabricated in a 3D printer. In a two alternative, forced choice task, blindfolded participants were presented with two of these shapes side by side (one the reference, the other selected randomly from the remaining set of seven and after actively exploring the test edge of each shape with the tip of their index finger, reported which shape had the sharper edge. We used a model selection approach to fit optimal psychometric functions to performance data, and from these obtained just noticeable differences and Weber fractions. In Experiment 1, participants performed the task with four different references. With sharpness defined as the angle at which one surface meets the horizontal plane, the four JNDs closely followed Weber's Law, giving a Weber fraction of 0.11. Comparisons to previously reported Weber fractions from other haptic manipulations (e.g. amplitude of vibration suggests we are sufficiently sensitive to changes in edge sharpness for this to be of potential utility in the design of future haptic displays. In Experiment 2, two groups of participants performed the task with a single reference but different exploration strategies; one was limited to a single touch, the other unconstrained and free to explore as they wished. As predicted, the JND in the free exploration condition was lower than that in the single touch condition, indicating exploration strategy affects sensitivity to edge sharpness.

  10. A study on reducing the absorption of lidocaine from the airway in cats.

    Science.gov (United States)

    Chen, Yunfeng; Zeng, Yiming; Zhang, Yin

    2017-08-01

    To determine if the combination of lidocaine with epinephrine or gamma globulin would decrease the rate or reduce the amount of local absorption of lidocaine through the airway. Twenty adult male cats were randomly and evenly distributed into four groups: 1) Group LG: lidocaine administered with gamma globulin; 2) Group LS: lidocaine administered with physiological saline); 3) Group LE: lidocaine administered with epinephrine; 4) Group C: control group. Invasive blood pressure, heart rate, and concentration of lidocaine were recorded before and after administration. The peak of plasma concentrations appeared difference (Group LG: 1.39 ± 0.23 mg/L; Group LS: 1.47 ± 0.29 mg/L and Group LE: 0.99 ± 0.08 mg/L). Compared to Group C, there were significant differences in the average heart rate of Groups LG, LS, and LE (P 0.05). Administering lidocaine in combination with gamma globulin through airway causes significant decrease the rate and reduce the amount of local absorption of lidocaine in cats.

  11. Strontium localization in bone tissue studied by X-ray absorption spectroscopy.

    Science.gov (United States)

    Frankær, Christian Grundahl; Raffalt, Anders Christer; Stahl, Kenny

    2014-02-01

    Strontium has recently been introduced as a pharmacological agent for the treatment and prevention of osteoporosis. We determined the localization of strontium incorporated into bone matrix from dogs treated with Sr malonate by X-ray absorption spectroscopy. A new approach for analyzing the X-ray absorption spectra resulted in a compositional model and allowed the relative distribution of strontium in the different bone components to be estimated. Approximately 35-45% of the strontium present is incorporated into calcium hydroxyapatite (CaHA) by substitution of some of the calcium ions occupying highly ordered sites, and at least 30% is located at less ordered sites where only the first solvation shell is resolved, suggesting that strontium is surrounded by only oxygen atoms similar to Sr(2+) in solution. Strontium was furthermore shown to be absorbed in collagen in which it obtains a higher structural order than when present in serum but less order than when it is incorporated into CaHA. The total amount of strontium in the samples was determined by inductively coupled plasma mass spectrometry, and the amount of Sr was found to increase with increasing dose levels and treatment periods, whereas the relative distribution of strontium among the different components appears to be independent of treatment period and dose level.

  12. Effects of polymer intercalation in calcium silicate hydrates on drug loading capacities and drug release kinetics: an X-ray absorption near edge structure study

    National Research Council Canada - National Science Library

    Guo, Xiaoxuan; Zhu, Ying-Jie; Hu, Yongfeng; Wu, Jin; Yiu, Yun-Mui; Sham, Tsun-Kong

    2017-01-01

    Different calcium silicate hydrate (CSH)/polymer composites are synthesized by using a controlled precipitation reaction between calcium salt and silicate salt, followed by the addition of various polymer solutions at room temperature...

  13. Study of influencing factors to chromophoric dissolved organic matter absorption properties from fluorescence features in Taihu lake in autumn

    Directory of Open Access Journals (Sweden)

    Chuang-Chun Huang

    2013-04-01

    Full Text Available In order to identify the components of chromophoric dissolved organic matter (CDOM, confirm the influence of components to the absorption coefficient of CDOM (aCDOM, and estimate aCDOM from fluorescence spectra, fluorescence and optical measurements of CDOM were carried out in November 2008. The results indicate that, the primary component of CDOM is humic-like. The secondary component is tryptophan-like, which is the product of phytoplankton and aquatic debris rather than the wastewater treatment drainaged from city. In this study, six fluorophores with multiple excitation-emission matrices (EEMs peaks (A, B, C, N, M, T were identified according to the parallel factor analysis (PARAFAC. The average contribution of each component to the CDOM is 19.93, 18.82, 16.88, 16.39, 12.26, and 15.72%, respectively. Red Shifted phenomenon will happen with the increase of fluorescence intensity for ultraviolet and terrestrially humic-like. Conversely, marine humic-like will appear Reverse Red Shifted with the increase of fluorescence intensity. The primary contributor to the shoulder value of CDOM’s absorption coefficient at 275 nm is phytoplankton productivity, followed by marine humic-like. The main contributors to the shoulder shape are UV humic-like and phytoplankton productivity, followed by marine humic-like and tryptophan-like. A strong correlation between CDOM absorption and fluorescence intensity at emission wavelength of 424 nm and excitation wavelength ranging from 280 to 360 nm was found. The absorption coefficient can be retrieved successfully from the same excitation wavelength’s fluorescence intensity by an exponential model.

  14. Delayed electron relaxation in CdTe nanorods studied by spectral analysis of the ultrafast transient absorption

    Energy Technology Data Exchange (ETDEWEB)

    Kriegel, I., E-mail: ilka.kriegel@iit.it [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Scotognella, F. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); CNST of IIT@POLIMI, Via Pascoli 70/3, 20133 Milano (Italy); Soavi, G. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Brescia, R. [Department of Nanochemistry, Istituto Italiano di Tecnologia (IIT), via Morego 30, 16163 Genova (Italy); Rodríguez-Fernández, J.; Feldmann, J. [Photonics and Optoelectronics Group, Department of Physics and CeNS, Ludwig-Maximilians-Universität München, Amalienstr. 54, 80799 Munich (Germany); Nanosystems Initiative Munich (NIM), Schellingstr. 4, 80799 Munich (Germany); Lanzani, G., E-mail: guglielmo.lanzani@iit.it [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); CNST of IIT@POLIMI, Via Pascoli 70/3, 20133 Milano (Italy); Tassone, F. [CNST of IIT@POLIMI, Via Pascoli 70/3, 20133 Milano (Italy)

    2016-06-01

    Highlights: • We study the photophysics of CdTe nanorods by ultrafast absorption spectroscopy. • We fit photobleaching and photoinduced absorption features at all time delays. • Dynamics are extracted from superpositions of bleaches (Gaussians) and derivatives. • Fast non-radiative recombination and slower hole trapping processes are extracted. • A potential approach to unveil ultrafast non-radiative recombination processes. - Abstract: In transient absorption (TA) spectra, the bleach features originating from state filling are overlapped by their energy-shifted derivatives, arising from excited state energy level shifts. This makes the direct extraction of carrier dynamics from a single-wavelength time-trace misleading. Fitting TA spectra in time, as Gaussian functions and their derivative-like shifted Gaussians, allows to individually extract the real dynamics of both photobleached transitions, and their energy shifts. In CdTe nanorods (NRs) we found a delayed heating of holes due to the release of the large excess energy in the electron relaxation process. The slow hole-trapping process is consistent with a high number of surface trap states in these model NRs. Our results show that only a correct disentanglement of bleaching and energy shift contributions provides a reliable framework to extract the underlying carrier relaxation dynamics, including trapping, non-radiative recombination, and eventually carrier multiplication.

  15. Utilization of 'elemental' sulfur by different phototrophic sulfur bacteria (Chromatiaceae, Ectothiorhodospiraceae): A sulfur K-edge XANES spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Franz, B; Prange, A [Niederrhein University of Applied Sciences, Competence Center for Microbiology and Biotechnology (CCMB), Rheydter Strasse 277, 41065 Moenchengladbach (Germany); Lichtenberg, H; Hormes, J [Louisiana State University, Center for Advanced Microstructures and Devices (CAMD), 6980 Jefferson Highway, Baton Rouge, LA 70806 (United States); Dahl, C, E-mail: A.Prange@gmx.d [University of Bonn, Institute for Microbiology and Biotechnology, Meckenheimer Allee 168, 53115 Bonn (Germany)

    2009-11-15

    Phototrophic sulfur bacteria are generally able to use elemental sulfur as an electron donor for anoxygenic photosynthesis. Elemental sulfur is mainly a mixture of cyclo-octasulfur and polymeric sulfur. The purple sulfur bacterium Allochromatium vinosum strongly prefers the polymeric sulfur fraction showing that sulfur speciation has a strong influence on availability of elemental sulfur. X-ray absorption near edge structure (XANES) spectroscopy was used to investigate whether polymeric sulfur is also the preferred sulfur species in other purple sulfur bacteria belonging to the families Chromatiaceae and Ecothiorodospiraceae. The cultures were fed with 50 mM of elemental sulfur consisting of 68% polymeric sulfur and 30% cyclo-octasulfur. In all cultures, elemental sulfur was converted into intra- or extracellular sulfur globules, respectively, and further oxidized to sulfate. Sulfate concentrations were determined by HPLC and turbidometric assays, respectively. However, the added elemental sulfur was only partly used by the bacteria, one part of the 'elemental sulfur' remained in the cultures and was not taken up. XANES spectroscopy revealed that only the polymeric sulfur fraction was taken up by all cultures investigated. This strongly indicates that polymeric 'chain-like' sulfur is the form preferably used by phototrophic sulfur bacteria.

  16. Determinação de diagramas de bandas de energia e da borda de absorção em SnO2, depositado via sol-gel, sobre quartzo Determination of the band energy diagram and absorption fundamental edge in SnO2, deposited via sol-gel, on quartz

    Directory of Open Access Journals (Sweden)

    E. A. Floriano

    2009-03-01

    Full Text Available Propriedades ópticas e estruturais de filmes finos de SnO2, depositados sobre substratos de quartzo, são apresentadas. Os filmes são preparados pela técnica de molhamento via sol-gel. Uma avaliação das propriedades eletrônicas do cristal (bulk e das superfícies (110 e (101 do material é também efetuada, através de cálculos baseados em um método mecânico-quântico que utiliza a Teoria do Funcional da Densidade (DFT em conjunto com o funcional hibrido B3LYP. A borda fundamental de absorção, obtida experimentalmente, é então comparada com os diagramas de bandas de energia do bulk e superfícies (110 e (101, calculadas.Optical and structural properties of SnO2 thin films, deposited on quartz substrates, are presented. Films are prepared by the sol-gel-dip-coating technique. An evaluation of the electronic properties of bulk and surfaces (110 and (101 of the material is also carried out, through calculation based on a quantum-mechanical method using the Density Functional Theory (DFT in conjunction with the hybrid functional B3LYP. The absorption fundamental edge, experimentally obtained, is compared to the calculated band energy diagram of bulk and surfaces (110 and (101.

  17. Monolithic lithium disilicate complete single crowns with feather-edge preparation design in the posterior region: A multicentric retrospective study up to 12 years.

    Science.gov (United States)

    Schmitz, Johannes H; Cortellini, Davide; Granata, Stefano; Valenti, Marco

    2017-07-20

    This retrospective study evaluated the clinical success and survival of monolithic lithium disilicate single crowns in the posterior region fabricated with feather-edge margins and cemented with resin-based self-etching cement. In total, 627 pressed monolithic lithium disilicate restorations on posterior teeth (110 first premolars, 151 second premolars, 240 first molars, 121 second molars, 5 third molars) were placed in 335 patients. All teeth were prepared with feather-edge margins and restored with single crowns. The modified California Dental Association criteria were used to clinically evaluate subjects during regular maintenance recalls. The mean follow-up time was 48.17 months (SD, 27.7; range, 6 to 144). Nine crowns were replaced during the follow-up period due to bulk fracture of the material (overall 97.93% survival rate), and four teeth were extracted. No other technical or biologic failure was observed. In this retrospective evaluation, monolithic lithium disilicate crowns with feather-edge margins yielded clinical outcomes similar to those reported with other margin designs and materials. Following the same clinical protocol, crowns on second molars showed lower survival rates when compared to restorations on other teeth in the posterior region. Careful evaluation is mandatory in high-risk patients and terminal teeth. Alternative restorative materials, such as full-contour zirconia crowns, should be considered for the restoration of second molars.

  18. Experimental Study on Use of Sound Absorption Treatment for Reduction of Environmental Sound Propagation and Reverberation in Staircases: A Case Study in Housing

    Directory of Open Access Journals (Sweden)

    Toru Matsuda

    2017-02-01

    Full Text Available In recent years, many open-plan houses have been proposed not only for comfort reasons, but also as a place to engage in family life. However, in contrast to the fact that this kind of plan makes it easy for people to interact, the daily life household sounds that occur inside the home may be perceived as noise. It is especially difficult to suppress the propagation of sound and reverberation in staircase and stairwell areas due to the absence of sound-absorbing furniture. In this study, we focused on addressing sound management within the staircase area in open-plan housing where sound absorption is particularly difficult. In order to suppress sound propagation on the upper and lower floors and the reverberation of sound, we placed a thin sound absorption panel on the wall, ceiling, and riser of the staircase. As a result, we were able to confirm that the propagation of sound on upper and lower floors can be suppressed by carrying out the sound absorption treatment on the staircase. Furthermore, we found that in stairway landing areas, the suppression effect of the propagation of sound varies depending on the position of the sound source and the positioning of the sound absorption panel, and that there is a position for placing the sound absorption panel where the sound-absorbing effect is effective.

  19. Chiral edge fluctuations of colloidal membranes

    Science.gov (United States)

    Jia, Leroy; Zakhary, Mark; Dogic, Zvonimir; Pelcovits, Robert; Powers, Thomas

    Using experiments and theory we study chiral fluctuations of the edge of a nearly flat colloidal membrane, consisting of rod-like viruses held together by the depletion interaction. Our measurements show an anomalous peak in the power spectrum around 1 inverse micron. Using an effective theory to describe the liquid crystal degrees of freedom by geometric properties of the edge, such as length, geodesic torsion, and curvature, we calculate the spectrum of out-of-plane edge fluctuations. The peak arises for sufficiently strong chirality, and corresponds to the instability of a flat membrane to a shape with helical, rippled edges.

  20. X-ray absorption spectroscopy studies of electrochemically deposited thin oxide films.

    Energy Technology Data Exchange (ETDEWEB)

    Balasubramanian, M.

    1998-06-02

    We have utilized ''in situ'' X-ray Absorption Fine Structure Spectroscopy to investigate the structure and composition of thin oxide films of nickel and iron that have been prepared by electrodeposition on a graphite substrate from aqueous solutions. The films are generally disordered. Structural information has been obtained from the analysis of the data. We also present initial findings on the local structure of heavy metal ions, e.g. Sr and Ce, incorporated into the electrodeposited nickel oxide films. Our results are of importance in a number of technological applications, among them, batteries, fuel cells, electrochromic and ferroelectric materials, corrosion protection, as well as environmental speciation and remediation.