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Sample records for surface photovoltage spectra

  1. AC surface photovoltage of indium phosphide nanowire networks

    Energy Technology Data Exchange (ETDEWEB)

    Lohn, Andrew J.; Kobayashi, Nobuhiko P. [California Univ., Santa Cruz, CA (United States). Baskin School of Engineering; California Univ., Santa Cruz, CA (US). Nanostructured Energy Conversion Technology and Research (NECTAR); NASA Ames Research Center, Moffett Field, CA (United States). Advanced Studies Laboratories

    2012-06-15

    Surface photovoltage is used to study the dynamics of photogenerated carriers which are transported through a highly interconnected three-dimensional network of indium phosphide nanowires. Through the nanowire network charge transport is possible over distances far in excess of the nanowire lengths. Surface photovoltage was measured within a region 10.5-14.5 mm from the focus of the illumination, which was chopped at a range of frequencies from 15 Hz to 30 kHz. Carrier dynamics were modeled by approximating the nanowire network as a thin film, then fitted to experiment suggesting diffusion of electrons and holes at approximately 75% of the bulk value in InP but with significantly reduced built-in fields, presumably due to screening by nanowire surfaces. (orig.)

  2. Surface photovoltage and photoluminescence spectroscopy of self-assembled InAs/InP quantum wires

    International Nuclear Information System (INIS)

    Donchev, V; Ivanov, T S; Borisov, K; Angelova, T; Cros, A; Cantarero, A; Fuster, D; Shtinkov, N; Gonzalez, Y; Gonzalez, L

    2010-01-01

    The optical properties of InAs/InP multi-layer quantum wire (QWR) structures of various spacer thicknesses have been investigated by means of room temperature surface photovoltage and photoluminescence spectroscopy. Combined with empirical tight binding calculations, the spectra have revealed transitions assigned to QWR families with heights equal to integer number of 5, 6 and 7 monolayers. From the comparison of the experimental and theoretical results the atomic concentration of phosphorus in the wires has been estimated.

  3. Surface photovoltage and photoluminescence spectroscopy of self-assembled InAs/InP quantum wires

    Science.gov (United States)

    Donchev, V.; Ivanov, T. S.; Angelova, T.; Cros, A.; Cantarero, A.; Shtinkov, N.; Borisov, K.; Fuster, D.; González, Y.; González, L.

    2010-02-01

    The optical properties of InAs/InP multi-layer quantum wire (QWR) structures of various spacer thicknesses have been investigated by means of room temperature surface photovoltage and photoluminescence spectroscopy. Combined with empirical tight binding calculations, the spectra have revealed transitions assigned to QWR families with heights equal to integer number of 5, 6 and 7 monolayers. From the comparison of the experimental and theoretical results the atomic concentration of phosphorus in the wires has been estimated.

  4. Surface photovoltage measurements and finite element modeling of SAW devices.

    Energy Technology Data Exchange (ETDEWEB)

    Donnelly, Christine

    2012-03-01

    Over the course of a Summer 2011 internship with the MEMS department of Sandia National Laboratories, work was completed on two major projects. The first and main project of the summer involved taking surface photovoltage measurements for silicon samples, and using these measurements to determine surface recombination velocities and minority carrier diffusion lengths of the materials. The SPV method was used to fill gaps in the knowledge of material parameters that had not been determined successfully by other characterization methods. The second project involved creating a 2D finite element model of a surface acoustic wave device. A basic form of the model with the expected impedance response curve was completed, and the model is ready to be further developed for analysis of MEMS photonic resonator devices.

  5. Transient surface photovoltage measurement over 12 orders of magnitude in time

    Science.gov (United States)

    Dittrich, Thomas; Fengler, Steffen; Franke, Michael

    2017-05-01

    The measurement of transient surface photovoltage (SPV) signals in a fixed capacitor arrangement over 12 orders of magnitude in time has been demonstrated for a SnO2:F/TiO2/In2S3 layer system under high vacuum. For this purpose, a high impedance buffer with a bandwidth above 200 MHz and an effective input resistance of 200-700 TΩ has been developed. Fast separation of photo generated charge carriers within ns and very slow relaxation of SPV signals excited with short laser pulses and the measurement of SPV spectra under continuous illumination with a halogen lamp were demonstrated.

  6. Raman Scattering and Surface Photovoltage Spectroscopy Studies of InGaAs/GaAs Radial Superlattices

    Science.gov (United States)

    Angelova, T.; Cros, A.; Ivanov, Ts.; Donchev, V.; Cantarero, A.; Shtinkov, N.; Deneke, Ch.; Schmidt, O. G.

    2011-12-01

    In this work we get insight into the multilayer structure of rolled-up microtube radial superlattices (RSLs) by the study of the optical and folded acoustic phonon modes of individual microtubes. Raman results show shifts of the InGaAs and GaAs related longitudinal optical modes that can be related to the strain state of the tubes. The folding of the acoustic modes has been related with the periodicity of the artificial superlattice formed by the multiple turns of the heterostructures. Information on the electronic structure and optical transitions of RSLs has been obtained by surface photovoltage spectroscopy. Room temperature spectra reveal several electronic transitions with energies below 1.3 eV. These transitions have been identified as originating from defect levels at the interfaces, as well as from the RSLs and the In0.215Ga0.785As/GaAs quantum well in the unfolded regions of the sample.

  7. A Study of the Surface Photovoltage of ZnO-Resin Layers.

    Science.gov (United States)

    Tashiro, I; Kimura, T; Endo, K

    1969-01-01

    The surface photovoltage of ZnO resin layer has been used as the basis for an imaging process generally known as chargeless electrophotography. This paper explores effects of the ambient air pressure and the layer temperature on the surface photovoltage of ZnO resin layers. Experiments were made by using ZnO-silicone resin layer, ZnO-alkyd resin layer, and ZnO-acryl resin layer. The surface potential of the dark adapted layers were measured while the ambient air pressure decreased, and the surface photovoltage and its decay curve were measured under various ambient air pressures. ZnO-silicone resin layer showed a remarkably high sensitivity in terms of surface photovoltage to the ambient air pressure changes. Marked variations were observed in the surface potential of the dark adapted layers both in air and in a vacuum of 5 x 10(-5) Torr when the layer temperature had been slowly raised. The surface potential exhibited a maximum peak when silicone resin was used as a binder and a minimum peak when alkyd resin or acryl resin was used, both peaks being registered at a temperature slightly higher than room temperature in air. After the layers had been annealed for a few hours at a high temperature, relationships between the surface photovoltage and the layer temperature were measured while the layer temperature decreased. The surface photovoltage and its decay of the ZnO-silicone resin layer revealed higher sensitivity to the changes of ambient air pressure and layer temperature than to those of other ZnO-resin layers. This difference is accounted for by a specific property of the silicone resin that enforces adsorption of the water molecule onto the surface of ZnO. Some applications of the above experiments are also discussed.

  8. Surface photovoltage investigation of gold chains on Si(111) by two-photon photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Otto, Sebastian; Biedermann, Kerstin; Fauster, Thomas [Lehrstuhl fuer Festkoerperphysik, Universitaet Erlangen-Nuernberg, Staudtstr. 7, D-91058 Erlangen (Germany)

    2011-07-01

    We present surface photovoltage measurements on Si(111)-(7 x 7) with monoatomic gold chains. The gold coverage was varied between zero and 0.6 ML, where the Si(111)-(5 x 2)-Au reconstruction covers the surface completely. During the two-photon photoemission experiments the p- or n-doped samples were illuminated by infrared (IR, E{sub IR}=1.55 eV) and ultraviolet (UV, E{sub UV}=4.65 eV) laser pulses. For all coverages the photovoltage was determined for sample temperatures of 90 K and 300 K by variation of the IR and UV laser power. P-doped as well as n-doped Si(111) wafers show a linear dependence of the photovoltage on gold coverage. This stands in contrast to scanning tunneling spectroscopy measurements, which show a coverage-independent photovoltage over a wide coverage range for n-doped wafers. While for p-doped wafers our experimentally determined photovoltage is in agreement with previous reports, for n-doped wafers the observed values are lower than expected.

  9. Characterisation of multi-layer InAs/InP quantum wires by surface photovoltage and photoluminescence spectroscopies

    International Nuclear Information System (INIS)

    Ivanov, Ts; Donchev, V; Angelova, T; Cros, A; Cantarero, A; Shtinkov, N; Borissov, K; Fuster, D; Gonzalez, Y; Gonzalez, L

    2010-01-01

    The optical properties of multi-layer InAs/InP quantum wires (QWRs) with two different spacer thicknesses have been investigated by means of room temperature surface photovoltage (SPV) and photoluminescence (PL) spectroscopies, combined with empirical tight binding electronic structure calculations and structural data. The SPV and PL spectra reveal several features, which energy positions are in good agreement. They have been ascribed to excitonic transitions, which take place in the QWR families with heights differing by an integer number of monolayers. Comparing the experimental results with the theoretical ones, we have estimated the QWR family heights and the average atomic concentration of phosphorus in the QWRs. From the simultaneous analysis of the SPV amplitude and phase spectra, based on our vector model for SPV signal representation, a deeper understanding of the SPV results and of the mechanisms of carrier separation in the sample is obtained.

  10. Characterisation of multi-layer InAs/InP quantum wires by surface photovoltage and photoluminescence spectroscopies

    Science.gov (United States)

    Ivanov, Ts; Donchev, V.; Angelova, T.; Cros, A.; Cantarero, A.; Shtinkov, N.; Borissov, K.; Fuster, D.; González, Y.; González, L.

    2010-11-01

    The optical properties of multi-layer InAs/InP quantum wires (QWRs) with two different spacer thicknesses have been investigated by means of room temperature surface photovoltage (SPV) and photoluminescence (PL) spectroscopies, combined with empirical tight binding electronic structure calculations and structural data. The SPV and PL spectra reveal several features, which energy positions are in good agreement. They have been ascribed to excitonic transitions, which take place in the QWR families with heights differing by an integer number of monolayers. Comparing the experimental results with the theoretical ones, we have estimated the QWR family heights and the average atomic concentration of phosphorus in the QWRs. From the simultaneous analysis of the SPV amplitude and phase spectra, based on our vector model for SPV signal representation, a deeper understanding of the SPV results and of the mechanisms of carrier separation in the sample is obtained.

  11. Nanoscale surface photovoltage of organic semiconductors with two pass Kelvin probe microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Escasain, E; Colchero, J; Palacios-Lidon, E [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Lopez-Elvira, E; Baro, A M, E-mail: elisapl@um.es [Instituto de Ciencia de Materiales de Madrid-CSIC, Campus de Cantoblanco, E-28049, Madrid (Spain)

    2011-09-16

    Kelvin probe microscopy implemented with controlled sample illumination is used to study nanoscale surface photovoltage effects. With this objective a two trace method, where each scanning line is measured with and without external illumination, is proposed. This methodology allows a direct comparison of the contact potential images acquired in darkness and under illumination and, therefore, the surface photovoltage is simply inferred. Combined with an appropriate data analysis, the temporal and spatial evolution of reversible and irreversible photo-induced processes can be obtained. The potential and versatility of this technique is applied to MEH-PPV thin films. Photo-physical phenomena such as the mesoscale polymer electronic light-induced response as well as the local nanoscale electro-optical properties are studied.

  12. Nanoscale Surface Photovoltage Mapping of 2D Materials and Heterostructures by Illuminated Kelvin Probe Force Microscopy

    KAUST Repository

    Shearer, Melinda J.

    2018-02-01

    Nanomaterials are interesting for a variety of applications, such as optoelectronics and photovoltaics. However, they often have spatial heterogeneity, i.e. composition change or physical change in the topography or structure, which can lead to varying properties that would influence their applications. New techniques must be developed to understand and correlate spatial heterogeneity with changes in electronic properties. Here we highlight the technique of surface photovoltage-Kelvin probe force microscopy (SPV-KFM), which is a modified version of non-contact atomic force microscopy capable of imaging not only the topography and surface potential, but also the surface photovoltage on the nanoscale. We demonstrate its utility in probing monolayer WSe2-MoS2 lateral heterostructures, which form an ultrathin p-n junction promising for photovoltaic and optoelectronic applications. We show surface photovoltage maps highlighting the different photoresponse of the two material regions as a result of the effective charge separation across this junction. Additionally, we study the variations between different heterostructure flakes and emphasize the importance of controlling the synthesis and transfer of these materials to obtain consistent properties and measurements.

  13. Characterization of fluorene – thiophene copolymer layers by the surface photovoltage method

    Czech Academy of Sciences Publication Activity Database

    Toušek, J.; Pavlačková, Petra; Cimrová, Věra; Toušková, J.

    2008-01-01

    Roč. 268, č. 1 (2008), s. 96-99 ISSN 1022-1360. [Microsymposium on Advanced Polymer Materials for Photonics and Electronics /47./. Prague, 15.07.2007-19.07.2007] R&D Projects: GA AV ČR IAA4050409; GA MŠk(CZ) 1M06031 Institutional research plan: CEZ:AV0Z40500505 Keywords : conjugated polymers * diffusion length * fluorene-thiophene * surface photovoltage * thin films Subject RIV: BM - Solid Matter Physics ; Magnetism

  14. Exciton diffusion length and concentration of holes in MEH-PPV polymer using the surface voltage and surface photovoltage methods

    Czech Academy of Sciences Publication Activity Database

    Toušek, J.; Toušková, J.; Remeš, Zdeněk; Čermák, Jan; Kousal, J.; Kindl, Dobroslav; Kuřitka, I.

    2012-01-01

    Roč. 552, NOV (2012), s. 49-52 ISSN 0009-2614 R&D Projects: GA ČR(CZ) GBP108/12/G108 Institutional research plan: CEZ:AV0Z10100521 Keywords : surface photovoltage * Kelvin probe force microscopy * conjugated polymers Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.145, year: 2012

  15. Surface Photovoltage Spectroscopy and AFM Analysis of CIGSe Thin Film Solar Cells

    Directory of Open Access Journals (Sweden)

    Nima E. Gorji

    2015-01-01

    Full Text Available The band gap, grain size, and topography of a Cu(In,GaSe2 (CIGSe thin film solar cell are analyzed using surface photovoltage spectroscopy (SPV and atomic force microscopy (AFM techniques. From the steep increase in SPV signal the band gap of the CIGSe absorber, In2S3 and ZnO layers are extracted and found to be 1.1, 1.3 and 2.6 eV, respectively. Already below the band gap of ZnO layer, a slight SPV response at 1.40 eV photon energies is observed indicating the presence of deep donor states. The root mean square (rms of the surface roughness is found to be 37.8 nm from AFM surface topography maps. The grain sizes are almost uniform and smaller than 1 μm.

  16. Surface photovoltage method for the quality control of silicon epitaxial layers on sapphire

    Energy Technology Data Exchange (ETDEWEB)

    Yaremchuk, A. F.; Starkov, A. V.; Zaikin, A. V., E-mail: lynch0000@gmail.com [National Rsearch University MIET (Russian Federation); Alekseev, A. V. [ZAO “Telekom-STV” (Russian Federation); Sokolov, E. M. [ZAO “Epiel” (Russian Federation)

    2014-12-15

    The surface photovoltage method is used to study “silicon-on-sapphire” epitaxial layers with a thickness of 0.3–0.6 μm, which are used to fabricate p-channel MOS (metal—oxide-semiconductor) transistors with improved radiation hardness. It is shown that the manner in which the photoconductivity of the epitaxial layer decays after the end of a light pulse generated by a light-emitting diode (wavelength ∼400 nm) strongly depends on the density of structural defects in the bulk of the structure. This enables control over how a “silicon-on-sapphire” structure is formed to provide the manufacturing of MOS structures with optimal operating characteristics.

  17. Fabrication and surface photovoltage study of hematite microparticles with hollow spindle-shaped structure

    International Nuclear Information System (INIS)

    Li Hong; Zhao Qidong; Li Xinyong; Shi Yong; Chen Guohua

    2012-01-01

    Hematite (α-Fe 2 O 3 ) particles with hollow spindle-shaped microstructure were successfully synthesized by a one-pot hydrothermal approach in large scale. The structural properties of the sample were systematically investigated by X-ray powder diffraction, scanning electron microscopy, energy-dispersive X-ray spectrum, high resolution transmission electron microscopy, selected-area electron diffraction techniques, UV-vis diffuse reflectance spectroscopy and infrared spectroscopy techniques. The characterization results revealed that the α-Fe 2 O 3 microparticles with a single-domain crystalline structure was mainly grown along the (1 0 4) crystal plane. The valence states and the surface chemical compositions of α-Fe 2 O 3 were further identified by X-ray photoelectron spectroscopy. The feature of photo-induced charge separation on spectrum was demonstrated by the surface photovoltage measurement under different external biases. The observed photoelectric characteristics of the as-fabricated material are beneficial for various optical and electronic applications.

  18. Surface photovoltage spectroscopy as a valuable nondestructive characterization technique for GaAs/GaAlAs vertical-cavity surface-emitting laser structures

    CERN Document Server

    Liang, J S; Huang, Y S; Tien, C W; Chang, Y M; Chen, C W; Li, N Y; Tiong, K K; Pollak, F H

    2003-01-01

    We have investigated an 850 nm GaAs/GaAlAs (001) vertical-cavity surface-emitting laser (VCSEL) structure using angle- and temperature-dependent surface photovoltage spectroscopy (SPS). The SPS measurements were performed as functions of angle of incidence (0 deg. <= theta <= 60 deg.) and temperature (25 deg. C <= T <= 215 deg. C) for both the metal-insulator-semiconductor (MIS) and wavelength-modulated MIS configurations. Angle-dependent reflectance (R) measurements have also been performed to illustrate the superior features of the SPS technique. The SPS spectra exhibit both the fundamental conduction to heavy-hole excitonic transition of quantum well and cavity mode (CM) plus a rich interference pattern related to the mirror stacks, whereas in the R spectra only the CM and interference features are clearly visible. The variations of SPS spectra as functions of incident angle and temperature enable exploration of light emission from the quantum well confined in a microcavity with relation to the...

  19. Exciton diffusion length in some thermocleavable polythiophene by the surface photovoltage method

    Czech Academy of Sciences Publication Activity Database

    Toušek, J.; Toušková, J.; Remeš, Zdeněk; Kousal, J.; Gevorgyan, S.A.; Krebs, F.C.

    2012-01-01

    Roč. 161, 23-24 (2012), s. 2727-2731 ISSN 0379-6779 Institutional research plan: CEZ:AV0Z10100521 Keywords : thermocleavable polythiophenes * photovoltage * excitons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.109, year: 2012

  20. Defect study of Cu2ZnSn(SxSe1-x)4 thin film absorbers using photoluminescence and modulated surface photovoltage spectroscopy

    Science.gov (United States)

    Lin, Xianzhong; Ennaoui, Ahmed; Levcenko, Sergiu; Dittrich, Thomas; Kavalakkatt, Jaison; Kretzschmar, Steffen; Unold, Thomas; Lux-Steiner, Martha Ch.

    2015-01-01

    Defect states in Cu2ZnSn(SxSe1-x)4 thin films with x = 0.28, 0.36, and 1 were studied by combining photoluminescence (PL) and modulated surface photovoltage (SPV) spectroscopy. A single broad band emission in the PL spectra was observed and can be related to quasi-donor-acceptor pair transitions. The analysis of the temperature dependent quenching of the PL band (x = 0.28, 0.36, and 1) and SPV (x = 0.28) signals resulted in activation energies below 150 meV for PL and about 90 and 300 meV for SPV. Possible intrinsic point defects that might be associated with these observed activation energies are discussed.

  1. Correlation between processing conditions of Cu2ZnSn(SxSe1-x)4 and modulated surface photovoltage

    Science.gov (United States)

    Lin, X. Z.; Dittrich, Th.; Fengler, S.; Lux-Steiner, M. Ch.; Ennaoui, A.

    2013-04-01

    Cu2ZnSn(SxSe1-x)4 (CZTSSe) layers deposited from multi-component nanoparticle inks were characterized by modulated surface photovoltage (SPV) spectroscopy to investigate the effect of annealing conditions. The SPV signals increased strongly with decreasing sulfur content. Band gaps were obtained in terms of SPV onset energy. A diffusion length of above 1 μm was estimated for photo-generated electrons at x = 0.28. The band gap increased with increasing x showing an anomaly in the range of 0.5 < x < 1. The results suggested that an excess of selenium is required for the formation of a photo-active phase reliable for efficient Cu2ZnSn(SxSe1-x)4-based solar cells.

  2. Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

    Science.gov (United States)

    Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C

    2012-01-01

    Summary Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased. PMID:22497001

  3. A family of uranyl-aromatic dicarboxylate (pht-, ipa-, tpa-) framework hybrid materials: photoluminescence, surface photovoltage and dye adsorption.

    Science.gov (United States)

    Gao, Xue; Wang, Che; Shi, Zhong-Feng; Song, Jian; Bai, Feng-Ying; Wang, Ji-Xiao; Xing, Yong-Heng

    2015-07-07

    Four uranyl complexes [(UO2)(pht)H2O]·H2O (pht = phthalic acid) (1), (UO2)2(Hipa)4(H2O)2 (Hipa = isophthalic acid) (2), (UO2)(tpa)(DMF)2 (tpa = terephthalic acid) (3) and (UO2)(box)2 (box = benzoic acid) (4) were synthesized by the reaction of UO2(CH3COO)2·2H2O as the metal source and phthalic acid, isophthalic acid, terephthalic acid or benzoic acid as the ligand. They were characterized by elemental analyses, IR, UV-Vis, XRD, single crystal X-ray diffraction analysis and thermal gravimetric analysis. The structural analysis reveals that complex 1 exhibits a one-dimensional chain structure constructed by the building unit [(UO2)2(pht)4(H2O)2] and further extends the chain into a 2D supramolecular architecture by hydrogen bonding interactions. Complex 2 is a discrete [(UO2)2(Hipa)4(H2O)2] structure, and by the hydrogen bonding interaction, forms a 3D supramolecular structure. In complexes 3 and 4, adjacent uranyl polyhedra form a 1D chain through bridging terephthalic acid and benzoic acid, respectively. In order to extend their functional properties, their photoluminescence, surface photovoltage and dye adsorption properties have been studied.

  4. Conditioning of Si-interfaces by wet-chemical oxidation: Electronic interface properties study by surface photovoltage measurements

    Science.gov (United States)

    Angermann, Heike

    2014-09-01

    The field-modulated surface photovoltage (SPV) method, a very surface sensitive technique, was utilized to determine electronic interface properties on wet-chemically oxidized and etched silicon (Si) interfaces. The influence of preparation-induced surface micro-roughness and un-stoichiometric oxides on the resulting the surface charge, energetic distribution Dit(E), and density Dit,min of rechargeable states was studied by simultaneous, spectroscopic ellipsometry (SE) measurements on polished Si(111) and Si(100) substrates. Based on previous findings and new research, a study of conventional and newly developed wet-chemical oxidation methods was established, correlating the interactions between involved oxidizing and etching solutions and the initial substrate morphology to the final surface conditioning. It is shown, which sequences of wet-chemical oxidation and oxide removal, have to be combined in order to achieve atomically smooth, hydrogen terminated surfaces, as well as ultra-thin oxide layers with low densities of rechargeable states on flat, saw damage etched, and textured Si substrates, as commonly applied in silicon device and solar cell manufacturing. These conventional strategies for wet-chemical pre-treatment are mainly based on concentrated solutions. Therefore, special attention was put on the development of more environmentally acceptable processes, utilizing e.g. hot pure water with low contents of oxygen or hydrochloric acid, and of ozone, working at ambient temperatures. According to our results, these methods could be a high quality and low cost alternative to current approaches with liquid chemicals for the preparation of hydrophobic Si substrate surfaces and ultra-thin passivating oxide layers. As demonstrated for selected examples, the effect of optimized wet-chemical pre-treatments can be preserved during subsequent soft plasma enhanced chemical vapor depositions of Si oxides (SiOx), or amorphous materials such as Si (a-Si:H), Si nitride (a

  5. Surface states and spectra

    International Nuclear Information System (INIS)

    Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA

    2001-01-01

    Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)

  6. A Surface Photovoltage Study of Surface Defects on Co-Doped TiO2 Thin Films Deposited by Spray Pyrolysis

    Directory of Open Access Journals (Sweden)

    Henry Wafula

    2016-07-01

    Full Text Available Surface photovoltage (SPV spectroscopy is a powerful tool for studying electronic defects on semiconductor surfaces, at interfaces, and in bulk for a wide range of materials. Undoped and Cobalt-doped TiO2 (CTO thin films were deposited on Crystalline Silicon (c-Si and Flourine doped Tin oxide (SnO2:F substrates by chemical spray pyrolysis at a substrate temperature of 400 °C. The concentration of the Co dopant in the films was determined by Rutherford backscattering spectrometry and ranged between 0 and 4.51 at %. The amplitude of the SPV signals increased proportionately with the amount of Co in the films, which was a result of the enhancement of the slow processes of charge separation and recombination. Photogenerated holes were trapped at the surface, slowing down the time response and relaxation of the samples. The surface states were effectively passivated by a thin In2S3 over-layer sprayed on top of the TiO2 and CTO films.

  7. Dynamics in next-generation solar cells: time-resolved surface photovoltage measurements of quantum dots chemically linked to ZnO (101[combining macron]0).

    Science.gov (United States)

    Spencer, Ben F; Cliffe, Matthew J; Graham, Darren M; Hardman, Samantha J O; Seddon, Elaine A; Syres, Karen L; Thomas, Andrew G; Sirotti, Fausto; Silly, Mathieu G; Akhtar, Javeed; O'Brien, Paul; Fairclough, Simon M; Smith, Jason M; Chattopadhyay, Swapan; Flavell, Wendy R

    2014-01-01

    The charge dynamics at the surface of the transparent conducting oxide and photoanode material ZnO are investigated in the presence and absence of light-harvesting colloidal quantum dots (QDs). The time-resolved change in surface potential upon photoexcitation has been measured in the m-plane ZnO (101[combining macron]0) using a laser pump-synchrotron X-ray probe methodology. By varying the oxygen annealing conditions, and hence the oxygen vacancy concentration of the sample, we find that dark carrier lifetimes at the ZnO surface vary from hundreds of μs to ms timescales, i.e. a persistent photoconductivity (PPC) is observed. The highly-controlled nature of our experiments under ultra-high vacuum (UHV), and the use of band-gap and sub-band-gap photoexcitation, allow us to demonstrate that defect states ca. 340 meV above the valence band edge are directly associated with the PPC, and that the PPC mediated by these defects dominates over the oxygen photodesorption mechanism. These observations are consistent with the hypothesis that ionized oxygen vacancy states are responsible for the PPC in ZnO. The effect of chemically linking two colloidal QD systems (type I PbS and type II CdS-ZnSe) to the surface has also been investigated. Upon deposition of the QDs onto the surface, the dark carrier lifetime and the surface photovoltage are reduced, suggesting a direct injection of charge carriers into the ZnO conduction band. The results are discussed in the context of the development of next-generation solar cells.

  8. Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Fengler, S.; Dittrich, Th.; Rusu, M.

    2015-01-01

    Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

  9. Spectra of resonance surface photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Antsiferov, V.V.; Smirnov, G.I.; Telegin, G.G. [Budker Nuclear Physics Institute, Novosibirsk (Russian Federation)

    1995-09-01

    The theory of nonactivated electron transfer between atoms interacting reasonantly with coherent radiation and a metal surface is developed. The spectral resonances in photoabsorption and surface photoionization are found to be related to nonlinear interference effects in the interaction between discrete atomic levels and the continuum formed by the quasi-continuous electron spectrum of a normal metal. The asymmetry in the resonance surface photoionization spectrum is shown to have a shape typical of the Fano autoionization resonances. 18 refs.

  10. THEORETICAL SPECTRA OF TERRESTRIAL EXOPLANET SURFACES

    Energy Technology Data Exchange (ETDEWEB)

    Hu Renyu; Seager, Sara [Department of Earth, Atmospheric and Planetary Sciences, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Ehlmann, Bethany L., E-mail: hury@mit.edu [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States)

    2012-06-10

    We investigate spectra of airless rocky exoplanets with a theoretical framework that self-consistently treats reflection and thermal emission. We find that a silicate surface on an exoplanet is spectroscopically detectable via prominent Si-O features in the thermal emission bands of 7-13 {mu}m and 15-25 {mu}m. The variation of brightness temperature due to the silicate features can be up to 20 K for an airless Earth analog, and the silicate features are wide enough to be distinguished from atmospheric features with relatively high resolution spectra. The surface characterization thus provides a method to unambiguously identify a rocky exoplanet. Furthermore, identification of specific rocky surface types is possible with the planet's reflectance spectrum in near-infrared broad bands. A key parameter to observe is the difference between K-band and J-band geometric albedos (A{sub g}(K) - A{sub g}(J)): A{sub g}(K) - A{sub g}(J) > 0.2 indicates that more than half of the planet's surface has abundant mafic minerals, such as olivine and pyroxene, in other words primary crust from a magma ocean or high-temperature lavas; A{sub g}(K) - A{sub g}(J) < -0.09 indicates that more than half of the planet's surface is covered or partially covered by water ice or hydrated silicates, implying extant or past water on its surface. Also, surface water ice can be specifically distinguished by an H-band geometric albedo lower than the J-band geometric albedo. The surface features can be distinguished from possible atmospheric features with molecule identification of atmospheric species by transmission spectroscopy. We therefore propose that mid-infrared spectroscopy of exoplanets may detect rocky surfaces, and near-infrared spectrophotometry may identify ultramafic surfaces, hydrated surfaces, and water ice.

  11. Characterization of photovoltage evolution of ZnO films using a scanning Kelvin probe system

    International Nuclear Information System (INIS)

    Li, W.; Wu, C.W.; Qin, W.G.; Wang, G.C.; Lu, S.Q.; Dong, X.J.; Dong, H.B.; Sun, Q.L.

    2009-01-01

    Work function (WF) and surface photovoltage evolution of films can be measured using the Kelvin probe technique, and further analysis of the photoelectronic behavior can provide information on the energy level structure. In this paper, a theoretical analysis to measure surface photovoltage using Kelvin probe technique is presented. Based on this analysis, the surface photovoltage and its time-resolved evolution process as well as the energy level structure of ZnO films are determined using a scanning Kelvin probe. The present study therefore provides a simple and practical methodology for the characterization of the electronic behavior of films.

  12. A climatology of visible surface reflectance spectra

    International Nuclear Information System (INIS)

    Zoogman, Peter; Liu, Xiong; Chance, Kelly; Sun, Qingsong; Schaaf, Crystal; Mahr, Tobias; Wagner, Thomas

    2016-01-01

    We present a high spectral resolution climatology of visible surface reflectance as a function of wavelength for use in satellite measurements of ozone and other atmospheric species. The Tropospheric Emissions: Monitoring of Pollution (TEMPO) instrument is planned to measure backscattered solar radiation in the 290–740 nm range, including the ultraviolet and visible Chappuis ozone bands. Observation in the weak Chappuis band takes advantage of the relative transparency of the atmosphere in the visible to achieve sensitivity to near-surface ozone. However, due to the weakness of the ozone absorption features this measurement is more sensitive to errors in visible surface reflectance, which is highly variable. We utilize reflectance measurements of individual plant, man-made, and other surface types to calculate the primary modes of variability of visible surface reflectance at a high spectral resolution, comparable to that of TEMPO (0.6 nm). Using the Moderate-resolution Imaging Spectroradiometer (MODIS) Bidirection Reflectance Distribution Function (BRDF)/albedo product and our derived primary modes we construct a high spatial resolution climatology of wavelength-dependent surface reflectance over all viewing scenes and geometries. The Global Ozone Monitoring Experiment–2 (GOME-2) Lambertian Equivalent Reflectance (LER) product provides complementary information over water and snow scenes. Preliminary results using this approach in multispectral ultraviolet+visible ozone retrievals from the GOME-2 instrument show significant improvement to the fitting residuals over vegetated scenes. - Highlights: • Our goals was visible surface reflectance for satellite trace gas measurements. • Captured the range of surface reflectance spectra through EOF analysis. • Used satellite surface reflectance products for each given scene to anchor EOFs. • Generated a climatology of time/geometry dependent surface reflectance spectra. • Demonstrated potential to

  13. Program for the surface muon spectra calculation

    International Nuclear Information System (INIS)

    Arkatov, Yu.M.; Voloshchuk, V.I.; Zolenko, V.A.; Prokhorets, I.M.; Soldatov, S.A.

    1987-01-01

    Program for the ''surface'' muon spectrum calculation is described. The algorithm is based on simulation of coordinates of π-meson birth point and direction of its escape from meson-forming target (MFT) according to angular distribution with the use of Monte Carlo method. Ionization losses of π-(μ)-mesons in the target are taken into account in the program. Calculation of ''surface'' muon spectrum is performed in the range of electron energies from 150 MeV up to 1000 MeV. Spectra of π-mesons are calculated with account of ionization losses in the target and without it. Distributions over lengths of π-meson paths in MFT and contribution of separate sections of the target to pion flux at the outlet of meson channel are calculated as well. Meson-forming target for calculation can be made of any material. The program provides for the use of the MFT itself in the form of photon converter or photon converter is located in front of the target. The program is composed of 13 subprograms; 2 of them represent generators of pseudorandom numbers, distributed uniformly in the range from 0 up to 1, and numbers with Gauss distribution. Example of calculation for copper target of 3 cm length, electron beam current-1 μA, energy-300 MeV is presented

  14. A climatology of visible surface reflectance spectra

    Science.gov (United States)

    Zoogman, Peter; Liu, Xiong; Chance, Kelly; Sun, Qingsong; Schaaf, Crystal; Mahr, Tobias; Wagner, Thomas

    2016-09-01

    We present a high spectral resolution climatology of visible surface reflectance as a function of wavelength for use in satellite measurements of ozone and other atmospheric species. The Tropospheric Emissions: Monitoring of Pollution (TEMPO) instrument is planned to measure backscattered solar radiation in the 290-740 nm range, including the ultraviolet and visible Chappuis ozone bands. Observation in the weak Chappuis band takes advantage of the relative transparency of the atmosphere in the visible to achieve sensitivity to near-surface ozone. However, due to the weakness of the ozone absorption features this measurement is more sensitive to errors in visible surface reflectance, which is highly variable. We utilize reflectance measurements of individual plant, man-made, and other surface types to calculate the primary modes of variability of visible surface reflectance at a high spectral resolution, comparable to that of TEMPO (0.6 nm). Using the Moderate-resolution Imaging Spectroradiometer (MODIS) Bidirection Reflectance Distribution Function (BRDF)/albedo product and our derived primary modes we construct a high spatial resolution climatology of wavelength-dependent surface reflectance over all viewing scenes and geometries. The Global Ozone Monitoring Experiment-2 (GOME-2) Lambertian Equivalent Reflectance (LER) product provides complementary information over water and snow scenes. Preliminary results using this approach in multispectral ultraviolet+visible ozone retrievals from the GOME-2 instrument show significant improvement to the fitting residuals over vegetated scenes.

  15. Surface spectra of Weyl semimetals through self-adjoint extensions

    Science.gov (United States)

    Seradjeh, Babak; Vennettilli, Michael

    2018-02-01

    We apply the method of self-adjoint extensions of Hermitian operators to the low-energy, continuum Hamiltonians of Weyl semimetals in bounded geometries and derive the spectrum of the surface states on the boundary. This allows for the full characterization of boundary conditions and the surface spectra on surfaces both normal to the Weyl node separation as well as parallel to it. We show that the boundary conditions for quadratic bulk dispersions are, in general, specified by a U (2 ) matrix relating the wave function and its derivatives normal to the surface. We give a general procedure to obtain the surface spectra from these boundary conditions and derive them in specific cases of bulk dispersion. We consider the role of global symmetries in the boundary conditions and their effect on the surface spectrum. We point out several interesting features of the surface spectra for different choices of boundary conditions, such as a Mexican-hat shaped dispersion on the surface normal to Weyl node separation. We find that the existence of bound states, Fermi arcs, and the shape of their dispersion, depend on the choice of boundary conditions. This illustrates the importance of the physics at and near the boundaries in the general statement of bulk-boundary correspondence.

  16. DFT calculations of vibrational spectra of oxidized (111) diamond surface

    Czech Academy of Sciences Publication Activity Database

    Jirásek, Vít; Kozak, Halyna; Remeš, Zdeněk

    2015-01-01

    Roč. 7, č. 4 (2015), s. 275-278 ISSN 2164-6627 R&D Projects: GA ČR GPP205/12/P331; GA MŠk LH12186 Institutional support: RVO:68378271 Keywords : density functional theory * vibrational spectra * FTIR * diamond nanoparticles * functionalized diamond surface Subject RIV: JJ - Other Materials

  17. Surface enhanced Raman spectra of the organic nonlinear optic ...

    Indian Academy of Sciences (India)

    Wintec

    Institute of Chemistry, University of Opole, Olesksa 48 45-052 Opole, Poland. 1. Present Address: Department of ... The surface geometry of methyl 3-(4-methoxy phenyl)prop-2-enoate molecule was studied by analysis of the SERS spectra .... Harmonic vibrational wave numbers were calculated using analytic second de-.

  18. Reflectance variability of surface coatings reveals characteristic eigenvalue spectra

    Science.gov (United States)

    Medina, José M.; Díaz, José A.; Barros, Rui

    2012-10-01

    We have examined the trial-to-trial variability of the reflectance spectra of surface coatings containing effect pigments. Principal component analysis of reflectances was done at each detection angle separately. A method for classification of principal components is applied based on the eigenvalue spectra. It was found that the eigenvalue spectra follow characteristic power laws and depend on the detection angle. Three different subsets of principal components were examined to separate the relevant spectral features related to the pigments from other noise sources. Reconstruction of the reflectance spectra by taking only the first subset indicated that reflectance variability was higher at near-specular reflection, suggesting a correlation with the trial-to-trial deposition of effect pigments. Reconstruction by using the second subset indicates that variability was higher at short wavelengths. Finally, reconstruction by using only the third subset indicates that reflectance variability was not totally random as a function of the wavelength. The methods employed can be useful in the evaluation of color variability in industrial paint application processes.

  19. Spectrally dependent photovoltages in Schottky photodiode based on (100) B-doped diamond

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jan; Koide, Y.; Takeuchi, D.; Rezek, Bohuslav

    2014-01-01

    Roč. 115, č. 5 (2014), "053105-1"-"053105-6" ISSN 0021-8979 R&D Projects: GA ČR(CZ) GBP108/12/G108 Grant - others:AVČR(CZ) M100101209 Institutional support: RVO:68378271 Keywords : Schottky barrier * diamond * Kelvin probe force microscopy * surface photovoltage Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.183, year: 2014

  20. Photovoltage method for the research of CdS and ZnO nanoparticles and hybrid MEH-PPV/nanoparticle structures

    Czech Academy of Sciences Publication Activity Database

    Toušková, J.; Toušek, J.; Rohovec, Jan; Růžička, A.; Polonskyi, O.; Urbánek, P.; Kuřitka, I.

    2014-01-01

    Roč. 16, č. 3 (2014), Art. 2314 ISSN 1388-0764 Institutional support: RVO:67985831 Keywords : CdS * energy conversion * MEH-PPV * nanoparticles * photovoltage spectra * transmission electron microscopy * ZnO Subject RIV: DD - Geochemistry Impact factor: 2.184, year: 2014

  1. Morphology dependent change in photovoltage generation using dye-Cu doped ZnO nanoparticle mixed system

    International Nuclear Information System (INIS)

    Bandyopadhyay, Poonam; Nandy, Papiya; Basu, Ruma; Das, Sukhen

    2015-01-01

    The present report deals with the studies on hybrid photoelectrochemical cell containing a commonly used dye, phenosafranine and Cu doped ZnO nanoparticles/nanoflakes for conversion of solar energy to electrical energy. The cell consisting nanoflakes yielded voltage of high magnitude (∼784 mV), good storage duration (∼60 h) and better energy conversion efficiency (3.82%) compared to other similar cells. The particle size and morphology of the nanomaterials were determined with X-ray diffraction and electron microscopy studies. Absorption spectra of the dye-nanomaterial mixed system indicated that the absorbance of dye molecules increased with addition of nanomaterials due to adsorption of dye molecules on the surface of nanomaterials, which facilitated incident photon absorption. Presence of planar lipid membrane hindered the back recombination of photoexcited charges causing radical increase in voltage generation, efficiency and storage duration. - Highlights: • Generation of photovoltage of ∼784 mV by using Cu doped ZnO nanoflakes in PEC cell. • High storage duration of ∼60 h observed using planar lipid membrane. • Energy conversion efficiency of 3.82% obtained

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

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  3. The molecular nature of photovoltage losses in organic solar cells

    KAUST Repository

    Schlenker, Cody W.

    2011-01-01

    Since the inception of heterojunction organic photovoltaic research the organic/organic interface has been thought to play a crucial role in determining the magnitude of the open-circuit voltage. Yet, the task of defining the molecular properties dictating the photovoltage delivered by these devices, that employ mixed or neat layers of different organic molecules to convert incident photons to electricity, is still an active area of research. This will likely be a key step in designing the new materials required for improving future device efficiencies. With the intent to underscore the importance of considering both thermodynamic and kinetic factors, this article highlights recent progress in elucidating molecular characteristics dictating photovoltage losses in heterojunction organic photovoltaics. © The Royal Society of Chemistry.

  4. Thermal Infrared Spectra of Microcrystalline Sedimentary Phases: Effects of Natural Surface Roughness on Spectral Feature Shape

    Science.gov (United States)

    Hardgrove, C.; Rogers, A. D.

    2012-03-01

    Thermal infrared spectral features of common microcrystalline phases (chert, alabaster, micrite) are presented. Spectra are sensitive to mineralogy and micron-scale (~1-25 µm) surface roughness. Roughness is on the scale of the average crystal size.

  5. Surface enhanced Raman spectra of the organic nonlinear optic ...

    Indian Academy of Sciences (India)

    Wintec

    Institute of Chemistry, University of Opole, Olesksa 48 45-052 Opole, Poland. 1. Present Address: Department of Physics, V.P.S.H.S.S. for ... co-ordination chemistry. Surface-enhanced Raman scattering (SERS), using .... numbers were calculated using analytic second de- rivatives to confirm the convergence to minima on.

  6. Field verification of ADCP surface gravity wave elevation spectra

    NARCIS (Netherlands)

    Hoitink, A.J.F.; Peters, H.C.; Schroevers, M.

    2007-01-01

    Acoustic Doppler current profilers (ADCPs) can measure orbital velocities induced by surface gravity waves, yet the ADCP estimates of these velocities are subject to a relatively high noise level. The present paper introduces a linear filtration technique to significantly reduce the influence of

  7. Photoelectrochemical decomposition of bio-related compounds at a nanoporous semiconductor film photoanode and their photocurrent-photovoltage characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Kaneko, Masao, E-mail: kaneko@biophotochem.co.j [Institute of Biophotochemonics Co. Ltd., 2-1-1 Bunkyo, Mito 310-8512 (Japan); Suzuki, Shinji [Faculty of Science, Ibaraki University, 2-1-1 Bunkyo, Mito 310-8512 (Japan); Ueno, Hirohito [The Institute of Biophotochemonics Co. Ltd., 2-1-1 Bunkyo, Mito 310-8512 (Japan); Faculty of Science, Ibaraki University, 2-1-1 Bunkyo, Mito 310-8512 (Japan); Nemoto, Junichi [Institute of Biophotochemonics Co. Ltd., 2-1-1 Bunkyo, Mito 310-8512 (Japan); Fujii, Yuki [Faculty of Science, Ibaraki University, 2-1-1 Bunkyo, Mito 310-8512 (Japan)

    2010-03-30

    Photoelectrochemical decomposition of bio-related compounds such as amino acids was investigated with a biophotochemical cell comprising a mesoporous TiO{sub 2} thin film photoanode and an O{sub 2}-reducing cathode. It was concluded that a kind of Schottky junction formed at the surface of the TiO{sub 2} (called as liquid junction) induced the photodecomposition followed by generation of photocurrent/photovoltage. Complete photodecomposition was investigated by the CO{sub 2} formation yield. The photocurrent-photovoltage (J-V) characteristics of amino acids and other typical bio-related compounds were investigated, and the short circuit photocurrent (J{sub sc}), open circuit photovoltage (V{sub oc}), and Fill factor (ff) were exhibited. Effect of pH on the photodecomposition of phenylalanine and cysteine were studied; for cysteine alkaline conditions gave a high efficiency, which was interpreted by the high electron-donating ability of the dissociated -S{sup -} group. The incident light-to-current conversion efficiency (IPCE) of cysteine was 25% at 350 nm. It was for the first time shown that organic acids gave high internal quantum efficiency (eta') over 8 (=800%) in the photodecomposition; for oxalic acid it was 9.3 (=930%) and for butyric acid 8.2. The alternating current impedance spectroscopy of glycine showed that the cell performance is determined by the chemical reactions at TiO{sub 2} or Pt electrodes.

  8. Separation of Atmospheric and Surface Spectral Features in Mars Global Surveyor Thermal Emission Spectrometer (TES) Spectra

    Science.gov (United States)

    Smith, Michael D.; Bandfield, Joshua L.; Christensen, Philip R.

    2000-01-01

    We present two algorithms for the separation of spectral features caused by atmospheric and surface components in Thermal Emission Spectrometer (TES) data. One algorithm uses radiative transfer and successive least squares fitting to find spectral shapes first for atmospheric dust, then for water-ice aerosols, and then, finally, for surface emissivity. A second independent algorithm uses a combination of factor analysis, target transformation, and deconvolution to simultaneously find dust, water ice, and surface emissivity spectral shapes. Both algorithms have been applied to TES spectra, and both find very similar atmospheric and surface spectral shapes. For TES spectra taken during aerobraking and science phasing periods in nadir-geometry these two algorithms give meaningful and usable surface emissivity spectra that can be used for mineralogical identification.

  9. Asteroid surface materials: mineralogical characterizations from reflectance spectra

    International Nuclear Information System (INIS)

    Gaffey, M.J.; McCord, T.B.

    1978-01-01

    The interpretation of diagnostic parameters in the spectral reflectance data for asteroids provides a means of characterizing the mineralogy and petrology of asteroid surface materials. An interpretive technique based on a quantitative understanding of the functional relationship between the optical properties of a mineral assemblage and its mineralogy, petrology and chemistry can provide a considerably more sophisticated characterization of a single material than any matching or classification technique for those objects bright enough to allow spectral reflectance measurements. Albedos derived from radiometry and polarization data for individual asteroids can be used with spectral data to establish the spectral albedo, to define the optical density of the surface material and, in general to constrain mineralogical interpretations. (Auth.)

  10. Computer simulation of RBS spectra from samples with surface roughness

    Czech Academy of Sciences Publication Activity Database

    Malinský, Petr; Hnatowicz, Vladimír; Macková, Anna

    2016-01-01

    Roč. 371, MAR (2016), s. 101-105 ISSN 0168-583X. [22nd International conference on Ion Beam Analysis (IBA). Opatija, 14.06.2015-19.06.2015] R&D Projects: GA MŠk(CZ) LM2011019; GA ČR GA15-01602S Institutional support: RVO:61389005 Keywords : computer simulation * Rutherford backscattering * surface roughness Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.109, year: 2016

  11. Stair-Step Particle Flux Spectra on the Lunar Surface: Evidence for Nonmonotonic Potentials?

    Science.gov (United States)

    Collier, Michael R.; Newheart, Anastasia; Poppe, Andrew R.; Hills, H. Kent; Farrell, William M.

    2016-01-01

    We present examples of unusual "stair-step" differential flux spectra observed by the Apollo 14 Suprathermal Ion Detector Experiment on the lunar dayside surface in Earth's magnetotail. These spectra exhibit a relatively constant differential flux below some cutoff energy and then drop off precipitously, by about an order of magnitude or more, at higher energies. We propose that these spectra result from photoions accelerated on the lunar dayside by nonmonotonic potentials (i.e.,potentials that do not decay to zero monotonically) and present a model for the expected differential flux. The energy of the cutoff and the magnitude of the differential flux are related to the properties of the local space environment and are consistent with the observed flux spectra. If this interpretation is correct, these surface-based ion observations provide a unique perspective that both complements and enhances the conclusions obtained by remote-sensing orbiter observations on the Moon's exospheric and electrostatic properties.

  12. Near-surface thermal gradients and their effects on mid-infrared emission spectra of planetary surfaces

    Science.gov (United States)

    Henderson, B. G.; Jakosky, B. M.

    1994-01-01

    We model the heat transfer by radiation and conduction in the top few millimeters of a planetary surface to determine the magnitude of near-surface (approximately 100 micrometers) thermal gradients and their effects on mid-infrared emission spectra for a number of planetary environments. The model is one-dimensional and uses a finite difference scheme for approximately 10 micrometers layers. Calculations are peformed for samples heated at the base and from above by sunlight. Our results indicate that near-surface radiative cooling creates significant thermal gradients in the top few hundred microns of surfaces in which radiation is an importamnt heat transfer mechanism. The effect is maximized in evacuated, underdense particulate media with sufficiently high temperatures. Near-surface thermal gradients will be significant in fine-grained particulate surfaces on the Moon (40-60 K/100 micrometers) and Mercury (approximately 80 K/100 micrometers), increasing spectral contrast and creating emission maxima in the transparent regions of the spectra. They will be of lesser importance on the surface of Mars, with a maximum value of around 5 k/100 micrometers in areas of low thermal inertia, and will be negligible on planets with more substantial atmospheres (less than 1 K/100 micrometers). We conclude that the effects that thermal gradients have on mid-IR emission spectra are predictable and do not negate the utility of emission spectroscopy for remote determination of planetary surface composition.

  13. First Derivative UV Spectra of Surface Water as a Monitor of Chlorination in Drinking Water Treatment

    Directory of Open Access Journals (Sweden)

    V. Zitko

    2001-01-01

    Full Text Available Many countries require the presence of free chlorine at about 0.1 mg/l in their drinking water supplies. For various reasons, such as cast-iron pipes or long residence times in the distribution system, free chlorine may decrease below detection limits. In such cases it is important to know whether or not the water was chlorinated or if nonchlorinated water entered the system by accident. Changes in UV spectra of natural organic matter in lakewater were used to assess qualitatively the degree of chlorination in the treatment to produce drinking water. The changes were more obvious in the first derivative spectra. In lakewater, the derivative spectra have a maximum at about 280 nm. This maximum shifts to longer wavelengths by up to 10 nm, decreases, and eventually disappears with an increasing dose of chlorine. The water treatment system was monitored by this technique for over 1 year and changes in the UV spectra of water samples were compared with experimental samples treated with known amounts of chlorine. The changes of the UV spectra with the concentration of added chlorine are presented. On several occasions, water, which received very little or no chlorination, may have entered the drinking water system. The results show that first derivative spectra are potentially a tool to determine, in the absence of residual chlorine, whether or not surface water was chlorinated during the treatment to produce potable water.

  14. Photovoltage versus microprobe sheet resistance measurements on ultrashallow structures

    DEFF Research Database (Denmark)

    Clarysse, T.; Moussa, A.; Parmentier, B.

    2010-01-01

    recently been observed between junction photovoltage (JPV) based tools and a micrometer-resolution four-point probe (M4PP) tool on a variety of difficult, state-of-the-art sub-32-nm complementary metal-oxide semiconductor structures (low energy and cluster implants, with/without halo, flash- and laser......-based millisecond anneal). Conventional four-point probe tools fail on almost all of these samples due to excessive probe penetration, whereas in several cases variable probe spacing (using a conventional spreading resistance probe tool) [T. Clarysse , Mater. Sci. Eng. R. 47, 123 (2004)] still gives useful values...... to within about 20%-35% due to its limited probe penetration (5-10 nm at 5 g load). M4PP measurements give systematically a sensible and reproducible result. This is also the case for JPV-based sheet resistance measurements, although these appear to be prone to correct calibration procedures...

  15. Titan's surface spectra at the Huygens landing site and Shangri-La

    Science.gov (United States)

    Rannou, P.; Toledo, D.; Lavvas, P.; D'Aversa, E.; Moriconi, M. L.; Adriani, A.; Le Mouélic, S.; Sotin, C.; Brown, R.

    2016-05-01

    Titan is an icy satellite of Saturn with a dense atmosphere and covered by a global photochemical organic haze. Ground based observations and the Huygens descent probe allowed to retrieve the main spectral signature of the water ice (Griffith, C.A. et al. [2003]. Science 300(5619), 628-630; Coustenis, A. et al. [2005]. Icarus 177, 89-105) at the surface, possibly covered by a layer of sedimented organic material (Tomasko, M.G. et al. [2005]. Nature 438(7069), 765-778). However, the spectrum of the surface is not yet understood. In this study, we find that the surface reflectivity at the Huygens Landing Site (HLS) is well modeled by a layer of water ice grains overlaid by a moist layer of weakly compacted photochemical aggregated aerosols. Moist soils have spectra shifted toward short wavelengths relatively to spectra of dry soils. Cassini observations of Shangri-La region from orbit also show a very dark surface with a reflectivity peak shifted toward short wavelengths in respect to the reflectivity peak of bright surfaces, revealing a dichotomy between terrains based to their spectra in visible.

  16. Scaling of turbulence spectra measured in strong shear flow near the Earth’s surface

    Science.gov (United States)

    Mikkelsen, T.; Larsen, S. E.; Jørgensen, H. E.; Astrup, P.; Larsén, X. G.

    2017-12-01

    Within the lowest kilometer of the Earth’s atmosphere, in the so-called atmospheric boundary layer, winds are often gusty and turbulent. Nearest to the ground, the turbulence is predominately generated by mechanical wall-bounded wind shear, whereas at higher altitudes turbulent mixing of heat and moisture also play a role. The variance (square of the standard deviation) of the fluctuation around the mean wind speed is a measure of the kinetic energy content of the turbulence. This kinetic energy can be resolved into the spectral distributions, or spectra, as functions of eddy size, wavenumber, or frequency. Spectra are derived from Fourier transforms of wind records as functions of space or time corresponding to wavenumber and frequency spectra, respectively. Atmospheric spectra often exhibit different subranges that can be distinguished and scaled by the physical parameters responsible for: (1) their generation; (2) the cascade of energy across the spectrum from large- to small-scale; and (3) the eventual decay of turbulence into heat owing to viscosity effects on the Kolmogorov microscale, in which the eddy size is only a fraction of a millimeter. This paper addresses atmospheric turbulence spectra in the lowest part of the atmospheric boundary layer—the so-called surface layer—where the wind shear is strong owing to the nonslip condition at the ground. Theoretical results dating back to Tchen’s early work in 1953 ‘on the spectrum of energy in turbulent shear flow’ led Tchen to predict a shear production subrange with a distinct inverse-linear power law for turbulence in a strongly sheared high-Reynolds number wall-bounded flow, as is encountered in the lowest sheared part of the atmospheric boundary layer, also known as the eddy surface layer. This paper presents observations of spectra measured in a meteorological mast at Høvsøre, Denmark, that support Tchen’s prediction of a shear production subrange following a distinct power law of degree

  17. Calcium pyroxenes at Mercurian surface temperatures: investigation of in-situ emissivity spectra and thermal expansion

    Science.gov (United States)

    Ferrari, S.; Nestola, F.; Helbert, J.; Maturilli, A.; D'Amore, M.; Alvaro, M.; Domeneghetti, M.; Massironi, M.; Hiesinger, H.

    2013-12-01

    The European Space Agency and Japan Aerospace Agency mission to Mercury, named BepiColombo, will carry on board the Mercury Radiometer and Thermal Infrared Spectrometer (MERTIS) that will be able to provide surface Thermal Infra-Red (TIR) emissivity spectra from 7 to 14 μm. This range of wavelengths is very useful to identify the fine-scale structural properties of several silicates. For mineral families as pyroxenes, the emissivity peak positions are good indicators of the composition. A complication in the interpretation of MERTIS data could arise from the extreme daily surface temperature range of Mercury (70 to 725 K) that significantly affects the crystal structure and density of minerals and consequently should affect the TIR spectral signature of each single mineral present on the surface of the planet. In preparation for the MERTIS data analysis, we are extensively investigating at high temperatures conditions several mineral phases potentially detectable on the surface of Mercury. Two C2/c augitic pyroxenes, with constant calcium content and very different magnesium to iron ratio, were studied by in situ high-temperature thermal infrared spectroscopy (up to 750 K) and in situ high-temperature single-crystal X-ray diffraction (up to 770 K). The emissivity spectra of the two samples show similar band center shifts of the main three bands toward lower wavenumbers with increasing temperature. Our results indicate that the center position of bands 1 and 2 is strictly dependent on temperature, whereas the center position of band 3 is a strong function of the composition regardless the temperature. These data suggest that MERTIS spectra will be able to provide indications of C2/c augitic pyroxene with different magnesium contents and will allow a correct interpretation independently on the spectra acquisition temperature.

  18. Drop entrainment from the surface of oil mist filters: mechanisms, kinetics, and drop spectra

    OpenAIRE

    Wurster, S.; Kolb, H.; Meyer, J.; Kasper, G.

    2016-01-01

    Oil entrainment from coalescence filters has been characterized by different techniques. Drop spectra and entrainment rates were measured by a combination of techniques from 1 mm over long periods of time. Dominant entrainment mechanism(s) are identified on the basis of comparisons of entrainment rates measured in different regions of the filter surface with rates of air bubble formation, measurements of oil film thickness, as well as visual observations. Experiments are supported by force es...

  19. Energy spectra and charge states of light atoms scattered by solid surface

    International Nuclear Information System (INIS)

    Parilis, E.S.; Verleger, V.K.

    1980-01-01

    The theories of backscattering and charge state formation of light atoms (H, D, and He) for the energy range 1 keV 0 0 and theta. The dependence of epsilonsub(max) on theta determines the mean effective range for the scattering at the angle theta. The appearance of surface peaks in the energy spectra of neutrals below energy E 0 + , Hsup(*), and H - . (orig.)

  20. Determination of stress glut moments of total degree 2 from teleseismic surface wave amplitude spectra

    Science.gov (United States)

    Bukchin, B. G.

    1995-08-01

    A special case of the seismic source, where the stress glut tensor can be expressed as a product of a uniform moment tensor and a scalar function of spatial coordinates and time, is considered. For such a source, a technique of determining stress glut moments of total degree 2 from surface wave amplitude spectra is described. The results of application of this technique for the estimation of spatio-temporal characteristics of the Georgian earthquake, 29.04.91 are presented.

  1. Volume and surface photoemission from tungsten. I. Calculation of band structure and emission spectra

    DEFF Research Database (Denmark)

    Christensen, N. Egede; Feuerbacher, B.

    1974-01-01

    of photoemission spectra from W single crystals. The nondirect as well as the direct models for bulk photoemission processes are investigated. The emission from the three low-index surfaces (100), (110), and (111) exhibits strong dependence on direction and acceptance cone. According to the present band model...... there should essentially be no emission normal to the (110) face for photon energies between 9.4 and 10.6 eV. Experimental observation of emission in this gap, however, implies effects not included in the simple bulk models. In particular, effects arising from surface emission have been considered, i.......e., emission of those electrons which are excited in a single-step process from initial states near the surface to final states outside the crystal. The electrons that are emitted from the surface in directions perpendicular to the crystal planes carry information on the one-dimensional surface density...

  2. Influence of the projectile charge state on electron emission spectra from a Cu(111) surface

    Science.gov (United States)

    Archubi, C. D.; Silkin, V. M.; Gravielle, M. S.

    2015-09-01

    Double differential electron emission distributions produced by grazing impact of fast dressed ions on a Cu(111) surface are investigated focusing on the effects of the electronic band structure. The process is described within the Band-Structure-Based approximation, which is a perturbative method that includes an accurate representation of the electron-surface interaction, incorporating information of the electronic band structure of the solid. Differences in the behavior of the emission spectra for He+ q, Li+ q, Be+ q and C+ q projectiles with different charge states q are explained by the combined effect of the projectile trajectory and the projectile charge distribution.

  3. Surface Plasmons and Surface Enhanced Raman Spectra of Aggregated and Alloyed Gold-Silver Nanoparticles

    Directory of Open Access Journals (Sweden)

    Y. Fleger

    2009-01-01

    Full Text Available Effects of size, morphology, and composition of gold and silver nanoparticles on surface plasmon resonance (SPR and surface enhanced Raman spectroscopy (SERS are studied with the purpose of optimizing SERS substrates. Various gold and silver films made by evaporation and subsequent annealing give different morphologies and compositions of nanoparticles and thus different position of the SPR peak. SERS measurements of 4-mercaptobenzoic acid obtained from these films reveal that the proximity of the SPR peak to the exciting laser wavelength is not the only factor leading to the highest Raman enhancement. Silver nanoparticles evaporated on top of larger gold nanoparticles show higher SERS than gold-silver alloyed nanoparticles, in spite of the fact that the SPR peak of alloyed nanoparticles is narrower and closer to the excitation wavelength. The highest Raman enhancement was obtained for substrates with a two-peak particle size distribution for excitation wavelengths close to the SPR.

  4. Highly reproducible surface-enhanced Raman spectra on semiconductor SnO2 octahedral nanoparticles.

    Science.gov (United States)

    Jiang, Li; Yin, Penggang; You, Tingting; Wang, Hua; Lang, Xiufeng; Guo, Lin; Yang, Shihe

    2012-12-07

    Highly reproducible surface-enhanced Raman scattering (SERS) spectra are obtained on the surface of SnO(2) octahedral nanoparticles. The spot-to-spot SERS signals show a relative standard deviation (RSD) consistently below 20 % in the intensity of the main Raman peaks of 4-mercaptobenzoic acid (4-MBA) and 4-nitrobenzenethiol (4-NBT), indicating good spatial uniformity and reproducibility. The SERS signals are believed to mainly originate from a charge-transfer (CT) mechanism. Time-dependent density functional theory (TD-DFT) is used to simulate the SERS spectrum and interpret the chemical enhancement mechanism in the experiment. The research extends the application of SERS and also establishes a new uniform SERS substrate. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Surface Stokes drift in the Baltic Sea based on modelled wave spectra

    Science.gov (United States)

    Tuomi, Laura; Vähä-Piikkiö, Olga; Alenius, Pekka; Björkqvist, Jan-Victor; Kahma, Kimmo K.

    2018-01-01

    The Stokes drift is an important component in the surface drift. We used the wave model WAM to evaluate the mean values and exceedance probabilities of the surface Stokes drift in the Baltic Sea. As there is no direct way to verify the accuracy of the modelled Stokes drift, we compared the bulk parameters calculated by the wave model against buoy measurements to ensure the quality of the wave hindcast. Furthermore, we evaluated the surface Stokes drift from measured wave spectra to assess the accuracy of the modelled surface Stokes drift. The importance of the Stokes drift as a component of the total surface drift was evaluated by calculating the hindcast mean values and percentiles of the surface Stokes drift. The mean values were between 0.08 and 0.10 ms-1 in the open sea areas, thus being of the same order of magnitude as the mean wind shear currents. The highest values of the surface Stokes drift were slightly larger than 0.6 ms-1. The comparison of modelled Stokes drift values to estimates obtained from measured spectra suggests that the mean values are well represented by the model. However, the higher modelled values are most likely slightly too large because the wave energy was overestimated during high wind situations in some of the sub-basins, such as the Gulf of Finland. A comparison to a drifter experiment showed that use of the Stokes drift improves the estimate of both the drift speed and the direction in the Gulf of Finland. Parameterised methods to evaluate the Stokes drift that are used, e.g. in currently available Baltic Sea drift models, overestimate the smaller values (under 0.3 ms-1) and underestimate the larger values of the Stokes drift compared to the values calculated by the wave model. The modelled surface Stokes drift direction mostly followed the forcing wind direction. This was the case even in the Gulf of Finland, where the direction of the wind and the waves can differ considerably.

  6. Gemini NorthNIRI Spectra of Pluto and Charon: Simultaneous Analysis of the Surface and Atmosphere

    Science.gov (United States)

    Cook, Jason C.; Cruikshank, Dale P.; Young, Leslie A.

    2014-01-01

    94035We report on our analysis of blended Pluto and Charon spectra over the wavelength range 1.4 to 2.5 m as obtained by the NIRI instrument on Gemini North on June 25-28, 2004. The data have a resolving power () around 1500 and a SNR around 200 per pixel. The observed blended spectra are compared to models that combine absorption from the solid ice on the surface using Hapke theory, and absorption from the gaseous atmosphere. We assume the spectrum is a combination of several spatially separate spectral units: a CH4-rich ice unit, a volatile unit (an intimate mixture of N2, CH4 and CO), and a Charon unit (H2O, ammonia hydrate and kaolinite). We test for the presence of hydrocarbons (i.e. C2H6) and nitriles (i.e. HCN) and examine cases where additional ices are present as either pure separate spatial units, mixed with the CH4-rich unit or part of the volatile unit. We conclude that 2-4 of Plutos surface is covered with pure-C2H6 and our identification of C2H6 is significantly strengthened when absorption due to gaseous CH4 is included. The inclusion of Plutos atmosphere demonstrates that low-resolution, high-SNR observations are capable of detecting Plutos atmosphere during a time when Plutos atmosphere may have been undergoing rapid changes (1988-2002) and no high-resolution spectra were obtained. In particular, we identify features at 1.665 and 2.317 m as the Q-branch of the 23 and 3+4 bands of gaseous CH4, respectively. The later band is also evident in many previously published spectra of Pluto. Our analysis finds it is unnecessary to include 13CO to explain the depth of the 2.405 m, which has been previously suggested to be a spectral blended with C2H6, but we cannot definitively rule out its presence. Funding for this work (Cook) has been provided by a NASA-PATM grant.

  7. Photovoltage and photocurrent in Pd–oxide–InP structures in a hydrogen medium

    Energy Technology Data Exchange (ETDEWEB)

    Imenkov, A. N.; Grebenshchikova, E. A., E-mail: eagr.iropt7@mail.ioffe.ru; Shutaev, V. A. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Ospennikov, A. M. [Russian Institute of Radionavigation and Time (Russian Federation); Sherstnev, V. V.; Yakovlev, Yu. P. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2016-07-15

    Pd–oxide–InP (MOS) structures are fabricated, and their physical and photoelectric properties in a hydrogen atmosphere are investigated. It is established that a decrease in photovoltage of the structure and a large increase in photocurrent in the circuit are observed under the pulsed effect of hydrogen on the structure with a palladium layer illuminated by a light-emitting diode (LED of the wavelength λ = 0.9 μm). The kinetics and mechanism of the variation in the photovoltage and photocurrent are considered. It is assumed that the photovoltage decreases because of the ionization of hydrogen atoms in the Pd layer, and the photocurrent increases due to the thermionic emission of nonequilibrium electrons from the Pd layer into the semiconductor. On the basis of results of the investigations, the sensitive element for an optoelectronic hydrogen sensor is developed.

  8. Scaling of turbulence spectra measured in strong shear flow near the Earth’s surface

    DEFF Research Database (Denmark)

    Mikkelsen, Torben Krogh; Larsen, Søren Ejling; Ejsing Jørgensen, Hans

    2017-01-01

    Within the lowest kilometer of the Earth's atmosphere, in the so-called atmospheric boundary layer, winds are often gusty and turbulent. Nearest to the ground, the turbulence is predominately generated by mechanical wall-bounded wind shear, whereas at higher altitudes turbulent mixing of heat......) their generation; (2) the cascade of energy across the spectrum from large- to small-scale; and (3) the eventual decay of turbulence into heat owing to viscosity effects on the Kolmogorov microscale, in which the eddy size is only a fraction of a millimeter. This paper addresses atmospheric turbulence spectra...... in the lowest part of the atmospheric boundary layer—the so-called surface layer—where the wind shear is strong owing to the nonslip condition at the ground. Theoretical results dating back to Tchen's early work in 1953 'on the spectrum of energy in turbulent shear flow' led Tchen to predict a shear production...

  9. The Analyses of Turbulence Characteristics in the Atmospheric Surface Layer Using Arbitrary-Order Hilbert Spectra

    Science.gov (United States)

    Wei, W.; Schmitt, F. G.; Huang, Y. X.; Zhang, H. S.

    2016-05-01

    Turbulent characteristics in the atmospheric surface layer are investigated using a data-driven method, Hilbert spectral analysis. The results from empirical mode decomposition display a set of intrinsic mode functions whose characteristic scales suggest a dyadic filter-bank property. It can be concluded from the joint probability density function of the intrinsic mode functions that the turbulent properties are totally different under different stratifications: the amplitudes (or energies) are arranged according to the stability parameter [InlineEquation not available: see fulltext.] for stable conditions, but tend to cluster randomly for unstable cases. The intermittency analyses reveal that second-order Hilbert marginal spectra display a power-law behaviour in the inertial subrange, and that the scaling exponent functions deviate from the theoretical values due to the strong intermittency in the stable boundary layer.

  10. A Generalized Approach to Model the Spectra and Radiation Dose Rate of Solar Particle Events on the Surface of Mars

    Science.gov (United States)

    Guo, Jingnan; Zeitlin, Cary; Wimmer-Schweingruber, Robert F.; McDole, Thoren; Kühl, Patrick; Appel, Jan C.; Matthiä, Daniel; Krauss, Johannes; Köhler, Jan

    2018-01-01

    For future human missions to Mars, it is important to study the surface radiation environment during extreme and elevated conditions. In the long term, it is mainly galactic cosmic rays (GCRs) modulated by solar activity that contribute to the radiation on the surface of Mars, but intense solar energetic particle (SEP) events may induce acute health effects. Such events may enhance the radiation level significantly and should be detected as immediately as possible to prevent severe damage to humans and equipment. However, the energetic particle environment on the Martian surface is significantly different from that in deep space due to the influence of the Martian atmosphere. Depending on the intensity and shape of the original solar particle spectra, as well as particle types, the surface spectra may induce entirely different radiation effects. In order to give immediate and accurate alerts while avoiding unnecessary ones, it is important to model and well understand the atmospheric effect on the incoming SEPs, including both protons and helium ions. In this paper, we have developed a generalized approach to quickly model the surface response of any given incoming proton/helium ion spectra and have applied it to a set of historical large solar events, thus providing insights into the possible variety of surface radiation environments that may be induced during SEP events. Based on the statistical study of more than 30 significant solar events, we have obtained an empirical model for estimating the surface dose rate directly from the intensities of a power-law SEP spectra.

  11. Fluorescence and Raman spectra on surface of K9 glass by high fluence ultraviolet laser irradiation at 355 nm

    Science.gov (United States)

    Zhang, Zhen; Huang, Jin; Geng, Feng; Zhou, Xiaoyan; Feng, Shiquan; Ren, Dahua; Cheng, Xinlu; Jiang, Xiaodong; Wu, Weidong; Zheng, Wanguo; Tang, Yongjian

    2013-11-01

    In order to explore the damage mechanisms of K9 glass irradiated by high energy density ultraviolet laser, laser-induced fluorescence and Raman spectra were investigated. Compared the fluorescence spectra of damaged area, undamaged area and sub-damaged area, it can be conclude that the fluorescence spectrum of sub-damaged area is different from the structure of the other two areas. Especially, the main peak of the spectra at 415 nm reveals the unique characteristics of K9 glass. The structure at the sub-damaged area enhances intensity of the Raman scattering spectra. Three peaks of the spectra at about 500 nm and two characteristic peaks at about 550 nm exhibit the characterization of damaged area. A peak of the Raman scattering spectra at 350 nm which related to water can be observed. The relationship between intensity of Raman scattering and laser intensity at 355 nm is investigated by confocal Raman microscopy. At sub-damage area, signal of Raman scattering is rather high and decreased dramatically with respect to energy density. The major band at about 1470 cm-1 sharpened and moved to higher frequency with densification. These phenomena demonstrate that the structure of sub-damaged area has some characterization compared with the damaged area. The investigation of defect induced fluorescence and Raman spectra on surface of K9 glass is important to explore the damage mechanisms of optical materials irradiated by ultraviolet laser irradiation at 355 nm.

  12. Extracting Optical Fiber Background from Surface-Enhanced Raman Spectroscopy Spectra Based on Bi-Objective Optimization Modeling.

    Science.gov (United States)

    Huang, Jie; Shi, Tielin; Tang, Zirong; Zhu, Wei; Liao, Guanglan; Li, Xiaoping; Gong, Bo; Zhou, Tengyuan

    2017-08-01

    We propose a bi-objective optimization model for extracting optical fiber background from the measured surface-enhanced Raman spectroscopy (SERS) spectrum of the target sample in the application of fiber optic SERS. The model is built using curve fitting to resolve the SERS spectrum into several individual bands, and simultaneously matching some resolved bands with the measured background spectrum. The Pearson correlation coefficient is selected as the similarity index and its maximum value is pursued during the spectral matching process. An algorithm is proposed, programmed, and demonstrated successfully in extracting optical fiber background or fluorescence background from the measured SERS spectra of rhodamine 6G (R6G) and crystal violet (CV). The proposed model not only can be applied to remove optical fiber background or fluorescence background for SERS spectra, but also can be transferred to conventional Raman spectra recorded using fiber optic instrumentation.

  13. Origin of Photovoltage Enhancement via Interfacial Modification with Silver Nanoparticles Embedded in an a-SiC:H p-Type Layer in a-Si:H Solar Cells.

    Science.gov (United States)

    Li, Tiantian; Zhang, Qixing; Ni, Jian; Huang, Qian; Zhang, Dekun; Li, Baozhang; Wei, Changchun; Yan, Baojie; Zhao, Ying; Zhang, Xiaodan

    2017-03-29

    We used silver nanoparticles (Ag-NPs) embedded in the p-type semiconductor layer of hydrogenated amorphous silicon (a-Si:H) solar cells in the Schottky barrier contact design to modify the interface between aluminum-doped ZnO (ZnO:Al, AZO) and p-type hydrogenated amorphous silicon carbide (p-a-SiC:H) without plasmonic absorption. The high work function of the Ag-NPs provided a good channel for the transport of photogenerated holes. A p-type nanocrystalline SiC:H layer was used to compensate for the real surface defects and voids on the surface of Ag-NPs to reduce recombination at the AZO/p-type layer interface, which then enhanced the photovoltage of single-junction a-Si:H solar cells to values as high as 1.01 V. The Ag-NPs were around 10 nm in diameter and thermally stable in the p-type a-SiC:H film at the solar-cell process temperature. We will also show that a wide range of photovoltages between 1.01 and 2.89 V could be obtained with single-, double-, and triple-junction solar cells based on the single-junction a-Si:H solar cells with tunable high photovoltage. These solar cells are suitable photocathodes for solar water-splitting applications.

  14. Simultaneous enhancement of photovoltage and charge transfer in Cu{sub 2}O-based photocathode using buffer and protective layers

    Energy Technology Data Exchange (ETDEWEB)

    Li, Changli; Delaunay, Jean-Jacques, E-mail: jean@mech.t.u-tokyo.ac.jp [School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Hisatomi, Takashi; Watanabe, Osamu; Domen, Kazunari [Department of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Nakabayashi, Mamiko; Shibata, Naoya [Institute of Engineering Innovation, The University of Tokyo, 2-11-16, Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2016-07-18

    Coating n-type buffer and protective layers on Cu{sub 2}O may be an effective means to improve the photoelectrochemical (PEC) water-splitting performance of Cu{sub 2}O-based photocathodes. In this letter, the functions of the buffer layer and protective layer on Cu{sub 2}O are examined. It is found that a Ga{sub 2}O{sub 3} buffer layer can form a buried junction with Cu{sub 2}O, which inhibits Cu{sub 2}O self-reduction as well as increases the photovoltage through a small conduction band offset between the two semiconductors. The introduction of a TiO{sub 2} thin protective layer not only improves the stability of the photocathode but also enhances the electron transfer from the photocathode surface into the electrolyte, thus resulting in an increase in photocurrent at positive potentials. These results show that the selection of overlayers with appropriate conduction band positions provides an effective strategy for obtaining a high photovoltage and high photocurrent in PEC systems.

  15. Measurements of reflectance spectra of ion-bombarded ice and application to surfaces in the outer Solar System

    International Nuclear Information System (INIS)

    O'Shaughnessy, D.J.; Boring, J.W.; Johnson, R.E.

    1988-01-01

    A number of the icy satellites of the outer planets exhibit interesting hemispherical differences in brightness which have been attributed to enhanced bombardment by the local plasma of one hemisphere. The plasma bombardment is thought to erode the icy surfaces and implant species, thereby altering the surface reflectance spectra, as well as producing fresh plasma. Here we present the first results of laboratory measurements of the wavelength dependence of the alteration of the visible reflectance spectra of H 2 O ice irradiated by keV ions. When the implanted species is chemically neutral, absorption is slightly enhanced below 0.55 μm. For an incident species containing sulphur, a strong absorption feature is produced at 0.4 μm corresponding (probably) to S 3 . This occurs at too large a wavelength to account for the absorption feature observed at Europa by Voyager and therefore casts doubt on the recent interpretations of the reflectance data of Europa. (author)

  16. A review on data and predictions of water dielectric spectra for calculations of van der Waals surface forces.

    Science.gov (United States)

    Wang, Jianlong; Nguyen, Anh V

    2017-12-01

    Van der Waals forces are one of the important components of intermolecular, colloidal and surface forces governing many phenomena and processes. The latest examples include the colloidal interactions between hydrophobic colloids and interfaces in ambient (non-degassed) water in which dissolved gases and nanobubbles are shown to affect the van der Waals attractions significantly. The advanced computation of van der Waals forces in aqueous systems by the Lifshitz theory requires reliable data for water dielectric spectra. In this paper we review the available predictions of water dielectric spectra for calculating colloidal and surface van der Waals forces. Specifically, the available experimental data for the real and imaginary parts of the complex dielectric function of liquid water in the microwave, IR and UV regions and various corresponding predictions of the water spectra are critically reviewed. The data in the UV region are critical, but the available predictions are still based on the outdated data obtained in 1974 (for frequency only up to 25.5eV). We also reviewed and analysed the experimental data obtained for the UV region in 2000 (for frequency up to 50eV) and 2015 (for frequency up to 100eV). The 1974 and 2000 data require extrapolations to higher frequencies needed for calculating the van der Waals forces but remain inaccurate. Our analysis shows that the latest data of 2015 do not require the extrapolation and can be used to reliably calculate van der Waals forces. The most recent water dielectric spectra gives the (non-retarded) Hamaker constant, A=5.20×10 -20 J, for foam films of liquid water. This review provides the most updated and reliable water dielectric spectra to compute van der Waals forces in aqueous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Scaling properties of velocity and temperature spectra above the surface friction layer in a convective atmospheric boundary layer

    Directory of Open Access Journals (Sweden)

    K. G. McNaughton

    2007-06-01

    Full Text Available We report velocity and temperature spectra measured at nine levels from 1.42 meters up to 25.7 m over a smooth playa in Western Utah. Data are from highly convective conditions when the magnitude of the Obukhov length (our proxy for the depth of the surface friction layer was less than 2 m. Our results are somewhat similar to the results reported from the Minnesota experiment of Kaimal et al. (1976, but show significant differences in detail. Our velocity spectra show no evidence of buoyant production of kinetic energy at at the scale of the thermal structures. We interpret our velocity spectra to be the result of outer eddies interacting with the ground, not "local free convection".

    We observe that velocity spectra represent the spectral distribution of the kinetic energy of the turbulence, so we use energy scales based on total turbulence energy in the convective boundary layer (CBL to collapse our spectra. For the horizontal velocity spectra this scale is (zi εo2/3, where zi is inversion height and εo is the dissipation rate in the bulk CBL. This scale functionally replaces the Deardorff convective velocity scale. Vertical motions are blocked by the ground, so the outer eddies most effective in creating vertical motions come from the inertial subrange of the outer turbulence. We deduce that the appropriate scale for the peak region of the vertical velocity spectra is (z εo2/3 where z is height above ground. Deviations from perfect spectral collapse under these scalings at large and small wavenumbers are explained in terms of the energy transport and the eddy structures of the flow.

    We find that the peaks of the temperature spectra collapse when wavenumbers are scaled using (z1/2 zi1/2. That is, the lengths of the thermal structures depend on both the lengths of the

  18. Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra.

    Science.gov (United States)

    Mullin, Jonathan; Valley, Nicholas; Blaber, Martin G; Schatz, George C

    2012-09-27

    Multiscale models that combine quantum mechanics and classical electrodynamics are presented, which allow for the evaluation of surface-enhanced Raman (SERS) and hyper-Raman scattering spectra (SEHRS) for both chemical (CHEM) and electrodynamic (EM) enhancement mechanisms. In these models, time-dependent density functional theory (TDDFT) for a system consisting of the adsorbed molecule and a metal cluster fragment of the metal particle is coupled to Mie theory for the metal particle, with the surface of the cluster being overlaid with the surface of the metal particle. In model A, the electromagnetic enhancement from plasmon-excitation of the metal particle is combined with the chemical enhancement associated with a static treatment of the molecule-metal structure to determine overall spectra. In model B, the frequency dependence of the Raman spectrum of the isolated molecule is combined with the enhancements determined in model A to refine the enhancement estimate. An equivalent theory at the level of model A is developed for hyper-Raman spectra calculations. Application to pyridine interacting with a 20 nm diameter silver sphere is presented, including comparisons with an earlier model (denoted G), which combines plasmon enhanced fields with gas-phase Raman (or hyper-Raman) spectra. The EM enhancement factor for spherical particles at 357 nm is found to be 10(4) and 10(6) for SERS and SEHRS, respectively. Including both chemical and electromagnetic mechanisms at the level of model A leads to enhancements on the order of 10(4) and 10(9) for SERS and SEHRS.

  19. Argon and krypton Auger spectra induced by ion bombardment of aluminium and silicon surfaces

    International Nuclear Information System (INIS)

    Nixon, A.P.; Gallon, T.E.; Yousif, F.; Matthew, J.A.D.

    1994-01-01

    Measurements are reported of Auger (autoionization) spectra of Ar and Kr produced by bombarding Al and Si substrates with Ar + and Kr + ions in the 110 eV-5 keV energy range. These are shown to be consistent with the simple Doppler model suggested, for Ne and Al and Si, in a previous paper. Once corrected using the model, the observed Auger energies are shown to correspond to theoretical predictions produced using Dirac-Fock calculations. (Author)

  20. Homogeneity of Surface Sites in Supported Single-Site Metal Catalysts: Assessment with Band Widths of Metal Carbonyl Infrared Spectra.

    Science.gov (United States)

    Hoffman, Adam S; Fang, Chia-Yu; Gates, Bruce C

    2016-10-06

    Determining and controlling the uniformity of isolated metal sites on surfaces of supports are central goals in investigations of single-site catalysts because well-defined species provide opportunities for fundamental understanding of the surface sites. CO is a useful probe of surface metal sites, often reacting with them to form metal carbonyls, the infrared spectra of which provide insights into the nature of the sites and the metal-support interface. Metals bonded to various support surface sites give broad bands in the spectra, and when narrow bands are observed, they indicate a high degree of uniformity of the metal sites. Much recent work on single-site catalysts has been done with supports that are inherently nonuniform, giving supported metal species that are therefore nonuniform. Herein we summarize values of ν CO data characterizing supported iridium gem-dicarbonyls, showing that the most nearly uniform of them are those supported on zeolites and the least uniform are those supported on metal oxides. Guided by ν CO data of supported iridium gem-dicarbonyls, we have determined new, general synthesis methods to maximize the degree of uniformity of iridium species on zeolites and on MgO. We report results for a zeolite HY-supported iridium gem-dicarbonyl with full width at half-maximum values of only 4.6 and 5.2 cm -1 characterizing the symmetric and asymmetric CO stretches and implying that this is the most nearly uniform supported single-site metal catalyst.

  1. Orientation and Optical Polarized Spectra (380–900 nm of Methylene Blue Crystals on a Glass Surface

    Directory of Open Access Journals (Sweden)

    Maja D. Milošević

    2013-01-01

    Full Text Available The crystallographic directions of the crystal toward the vector of polarized light can accurately be positioned, so the information that we gain from polarized spectra can be consistently interpreted according to known crystal structure. The orientation and optical properties of the methylene blue (MB crystals were analyzed by XRD, XRPD, and polarized VIS-NIR spectroscopy. Cationic dye, MB, was polymerized into crystals on a glass slate. The blue color crystals showed pronounced dichroism, twin lamellar structure and bladed to fibrous habit. According to XRD data, [010] direction lies perpendicular to the crystal surface, so we recognized it as (0k0 face, while [100] and [001] directions coincide with crystal elongation and crystal thickness respectively. In this paper, the polarized spectra of MB crystal are presented, measured with the aim of acquisition of referent values, which could be helpful for the identification of MB molecular aggregation.

  2. Directional short wind wave spectra derived from the sea surface photography

    Science.gov (United States)

    Dulov, Vladimir; Yurovskaya, Maria; Chapron, Bertrand; Kudryavtsev, Vladimir

    2014-05-01

    New field measurements of 2-D wave number short wind wave spectra in the wavelength range from few millimeters to few decimeters are reported and discussed. The measurement method proposed by [Kosnik and Dulov, 2011] is based on stereophotography and image brightness contrast processing. The method strongly builds on the brightness cross-spectral analysis to reduce the noise within this short wave gravity and capillary range. Field measurements of wind wave spectra are still rare, and the reported data thus provide valuable information to bring new evidences on the 2-D spectral distribution of short wind waves in the wavelength range from decimeters to millimeters. As found, the folded spectra of decimeter waves are very weakly dependent on the wind speed and its direction. Wind speed and direction sensitivity only starts to appear in the short wavelength range, more precisely in the vicinity of the wave number 100 rad/m, where the wind exponent grows from 0.5 to 1.5-2.5 at 800 rad/m, and angular anisotropy parameter introduced by [Elfouhaily et al., 1997] amounts the value of 0.5. These aspects are consistent with other previously reported optical and radar data. For the latter, we solely extracted the polarization sensitivity to best isolate the contribution associated to the wave saturation spectrum around the Bragg resonant wave number. For the former, mean-squared slope statistics were used to assess the integrated shortscale directional spectral properties. As revealed, observed direction spectral distributions are significantly different from those previously suggested [Elfouhaily et al., 1997; Kudryavtsev et al., 2003, 2005]. On the basis of these new in situ measurements, we then propose to revise the semiempirical analytical model of short wind wave spectra developed by [Kudryavtsev et al., 2003, 2005]. In this model the key parameter is exponent n governing the nonlinear dissipation rate as D ~ Bn+1, where B is saturation spectrum. Accordingly, new

  3. On the spectra and coherence of some surface meteorological parameters in the Arabian Sea

    Digital Repository Service at National Institute of Oceanography (India)

    RameshKumar, M.R.; Fernandes, A.A.

    . In addition to peaks in the annual, semiannual and four-month periodicities, the various surface parameters exhibited some energy at 2, 3 and 4 year cycles. It was also found that most of the surface meteorological parameters were coherent (at 95% confidence...

  4. Near-surface temperature gradients and their effects on thermal-infrared emission spectra of particulate planetary surfaces

    Science.gov (United States)

    Henderson, B. G.; Jakosky, B. M.

    1993-01-01

    The infrared energy emitted from a planetary surface is generated within a finite depth determined by the material's absorption skin depth. This parameter varies significantly with wavelength in the infrared but has an average value of around 50 microns for most geologic materials. In solid rock, heat transfer is efficient enough so that this 50 micron zone of the near surface from which the radiation emanates will be more or less isothermal. In particulate materials, however, heat transfer is more complicated and occurs via a combination of mechanisms, including solid conduction within grains and across grain contacts, conduction through the interstitial gas, and thermal radiation within individual particles and across the void spaces in between grains. On planets with substantial atmospheres, the gas component dominates the heat transfer and tends to mitigate near-surface thermal gradients. However, on airless bodies, the gas component is absent and heat transfer occurs via solid conductions and radiation. If the particles are small relative to the average absorption skin depth, then the top 50-100 microns or so of the surface will be cooled by radiation to space allowing the creation of significant near-surface thermal gradients. In those regions of the spectrum where the absorption coefficient is low, the emission will come from the deeper, warmer parts of the medium, whereas in regions of high absorption, the emission will emanate from shallower, cooler parts of the medium. The resulting emission spectrum will show non-compositional features as a result of the thermal structure in the material. We have modeled the heat transfer in a particulate medium in order to determine the magnitude of near-surface thermal gradients for surfaces on airless bodies and on Mars. We use the calculated thermal structure to determine the effects it has on the infrared emission spectrum of the surface.

  5. Microscopic surface wettability electrochemical characterization of tight sandstone with infrared spectra testing

    Science.gov (United States)

    Song, L.; Ning, Z. F.; Li, N.; Zhang, B.; Ding, G. Y.

    2017-08-01

    The distribution of charge density on the surface of microscopic tight oil is studied by using Stern double electric layer theory, and the mathematical flow model of polar fluid with micro powers in tight oil reservoir is established. The Fourier transform infrared (FTIR) were used to investigate the interaction of rock surface functional groups with fluids. The results show that: (1) When the external fluid of the polar group passes through the dense micro-nano pore, it will form an electric double layer on the surface of the rock, there will be a certain thickness of the liquid membrane, the fluid migration has a certain Of the electrical viscosity effect, will have a certain flow resistance. (2) The Fourier transform infrared spectroscopy of the Chang 7 tight reservoir rock samples exists and distributes different kinds of peaks. The left peak trend determines the presence of hydroxyl groups. The four fronts and types of the right side can be used to obtain that calcium carbonate CO3 2- exists. (3) There are CO3 2- and hydroxyl functional minerals in the Chang 7 tight sandstone samples. It is consistent with the basic mineral analysis measured by X-ray diffraction. When the external fluid affects the rock surface, the surface will occur in the physical van der Waals force and chemical bond interaction, so it will affect the flow of water on the surface.

  6. Thermal emission from particulate surfaces: A comparison of scattering models with measured spectra

    Science.gov (United States)

    Moersch, J. E.; Christensen, P. R.

    1995-01-01

    Emissivity spectra of particulate mineral samples are highly dependent on particle size when that size is comparable to the wavelength of light emitted (5-50 micrometers for the midinfrared). Proper geologic interpretation of data from planetary infrared spectrometers will require that these particle size effects be well understood. To address this issue, samples of quartz powders were produced with narrow, well-characterized particle size distributions. Mean particle diameters in these samples ranged from 15 to 227 micrometers. Emission spectra of these powders allow the first detailed comparison of the complex spectral variations with particle size observed in laboratory data with the predictions of radiative transfer models. Four such models are considered here. Hapke's relectance theory (converted to emissivity via Kirchoff's law) is the first model tested. Hapke's more recently published emission theory is also employed. The third model, the 'Mie/Conel' model, uses Mie single scattering with a two-stream approximation for multiple scattering. This model, like the first, is a converted reflec- tance model. Mie scattering assumes particles are both spherical and well separated, which is not true for the quartz powders, but includes diffraction effects. The fourth model uses the Mie solution for single scattering by spheres and inputs those results into the multiple scattering formalism of Hapke's emission theory. The results of the four models are considered in relation to the values of the optical constants n and k. We have grouped these as class 1 (k large), class 2 (k moderate, n is approximately 2), class 3 (k small, n is approximately 2), and class 4 (k small, n is approximately 1). In general, the Mie/Hapke hybrid model does best at predicting variations with grain size. In particular, it predicts changes of the correct pattern, although incorrect magnitude, for class 1 bands, where large increases in emissivity with decreasing grain size are observed

  7. Surface defect assisted broad spectra emission from CdSe quantum dots for white LED application

    Science.gov (United States)

    Samuel, Boni; Mathew, S.; Anand, V. R.; Correya, Adrine Antony; Nampoori, V. P. N.; Mujeeb, A.

    2018-02-01

    This paper reports, broadband photoluminescence from CdSe quantum dots (QDs) under the excitation of 403 nm using fluorimeter and 403 nm CW laser excitation. The broad spectrum obtained from the colloidal quantum dots was ranges from 450 nm to 800 nm. The broadness of the spectra was attributed to the merging of band edge and defect driven emissions from the QDs. Six different sizes of particles were prepared via kinetic growth method by using CdO and elemental Se as sources of Cd and Se respectively. The particle sizes were measured from TEM images. The size dependent effect on broad emission was also studied and the defect state emission was found to be predominant in very small QDs. The defect driven emission was also observed to be redshifted, similar to the band edge emission, due to quantum confinement effect. The emission corresponding to different laser power was also studied and a linear relation was obtained. In order to study the colour characteristics of the emission, CIE chromaticity coordinate, CRI and CCT of the prepared samples were measured. It is observed that, these values were tunable by the addition of suitable intensity of blue light from the excitation source to yield white light of various colour temperatures. The broad photoluminescence spectrum of the QDs, were compared with that of a commercially available white LED. It was found that the prepared QDs are good alternatives for the phosphor in phosphor converted white LEDs, to provide good spectral tunability.

  8. Quantitative determination of the intensities of known components in spectra obtained from surface analytical techniques

    International Nuclear Information System (INIS)

    Nelson, G.C.

    1984-01-01

    Linear least-squares methods have been used to quantitatively decompose experimental data obtained from surface analytical techniques into its separate components. The mathematical procedure for accomplishing this is described and examples are given of the use of this method with data obtained from Auger electron spectroscopy [both N(E) and derivative], x-ray photoelectron spectroscopy, and low energy ion scattering spectroscopy. The requirements on the quality of the data are discussed

  9. Simulation of RBS spectra with known 3D sample surface roughness

    Czech Academy of Sciences Publication Activity Database

    Malinský, Petr; Siegel, J.; Hnatowicz, Vladimír; Macková, Anna; Švorčík, V.

    2017-01-01

    Roč. 406, SEP (2017), s. 99-103 ISSN 0168-583X R&D Projects: GA MŠk LM2015056; GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:61389005 Keywords : computer simulation * surface roughness * AFM Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders OBOR OECD: Nuclear physics Impact factor: 1.109, year: 2016

  10. EPR Studies of Spin Labels Bound to Ceramic Surfaces, and Simulation of Magnetic Resonance Spectra by Molecular Trajectory.

    Science.gov (United States)

    Auteri, Francesco Paul

    Electron paramagnetic resonance (EPR) spectroscopy is sensitive to molecular rotational correlation times in the range of 10^{-6} to 10^{-11} seconds. EPR spin labels are often attached or incorporated into molecular structures as probes of local viscosities and dynamics. In part I of this work, methods of covalently attaching a variety of spin labels to silica and alumina ceramic surfaces are developed in an attempt to study local viscosities at varying distances from about 5 A^circ to 25 A^circ from the ceramic/liquid interface. Three solvents, diethyl ether, benzene, and cyclohexane, are chosen for detailed study in combination with the spin labels, TEMPOL, 5-DOXYL, and 12-DOXYL. EPR spectra of each system are taken over the range of temperatures from -140 ^circC to 50^circ C (or just below the solvent boiling point). Spectra show good sensitivity to solvent, temperature, and probe. The effect of adding 3% (w/o) poly-(octadecyl-methacrylate) (PODM) to benzene and cyclohexane on spin label mobility is also studied in this work. Rotational correlation times from lineshapes are analyzed assuming isotropic rotation using spectral splitting, line width, and simulation methods. These approaches are often inadequate for the more complex spectral line shapes observed for tethered spin labels, especially in the intermediate motional regime where sensitivity to anisotropic dynamics is greatest. In part II of this work, a novel approach to the prediction of spectral line shapes is developed. It is shown that EPR spectra may be computed directly from molecular trajectories using classical approximations to describe the time evolution of the magnetization vector under fluctuating effective interaction tensor values. Line shape simulations using molecular trajectories generated by Brownian dynamics theory are less time intensive than existing methods. Simulation of magnetic resonance line shapes by molecular trajectories as generated by programs such as CHARMM promises to be

  11. [Study on Square Super-Lattice Pattern with Surface Discharge in Dielectric Barrier Discharge by Optical Emission Spectra].

    Science.gov (United States)

    Niu, Xue-jiao; Dong, Li-fang; Liu, Ying; Wang, Qian; Feng, Jian-yu

    2016-02-01

    Square super-lattice pattern with surface discharge consisting of central spots and dim spots is firstly observed in the mixture of argon and air by using a dielectric barrier discharge device with water electrodes. By observing the image, it is found that the central spot is located at the centriod of its surrounding four dim spots. The short-exposure image recorded by a high speed video camera shows that the dim spot results from the surface discharges (SDs). The brightness of the central spot and is quite different from that of the dim spot, which indicates that the plasma states of the central spot and the dim spot may be differentiated. The optical emission spectrum method is used to further study the several plasma parameters of the central spot and the dim spot in different argon content. The emission spectra of the N₂ second positive band (C³IIu --> B³ IIg) are measured, from which the molecule vibration temperatures of the central spot and the dim spot are calculated respectively. The broadening of spectral line 696.57 nm (2P₂-->1S₅) is used to study the electron densities of the central spot and the dim spot. It is found that the molecule vibration temperature and electron density of the dim spot are higher than those of the central spot in the same argon content The molecule vibration temperature and electron density of the central spot and the dim spot increase with the argon content increasing from 90% to 99.9%. The surface discharge induced by the volume discharge (VD) has the determinative effect on the formation of the dim spot The experimental results above play an important role in studying the formation mechanism of surface discharg&of square super-lattice pattern with surface discharge. In addition, the studies exert an influence on the application of surface discharge and volume discharge in different fields.

  12. High-accuracy water potential energy surface for the calculation of infrared spectra

    Science.gov (United States)

    Mizus, Irina I.; Kyuberis, Aleksandra A.; Zobov, Nikolai F.; Makhnev, Vladimir Yu.; Polyansky, Oleg L.; Tennyson, Jonathan

    2018-03-01

    Transition intensities for small molecules such as water and CO2 can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high-accuracy ab initio dipole moment surfaces and wave functions from spectroscopically determined potential energy surfaces (PESs). Here, an extra high-accuracy PES of the water molecule (H216O) is produced starting from an ab initio PES which is then refined to empirical rovibrational energy levels. Variational nuclear motion calculations using this PES reproduce the fitted energy levels with a standard deviation of 0.011 cm-1, approximately three times their stated uncertainty. The use of wave functions computed with this refined PES is found to improve the predicted transition intensities for selected (problematic) transitions. A new room temperature line list for H216O is presented. It is suggested that the associated set of line intensities is the most accurate available to date for this species. This article is part of the theme issue `Modern theoretical chemistry'.

  13. High-accuracy water potential energy surface for the calculation of infrared spectra.

    Science.gov (United States)

    Mizus, Irina I; Kyuberis, Aleksandra A; Zobov, Nikolai F; Makhnev, Vladimir Yu; Polyansky, Oleg L; Tennyson, Jonathan

    2018-03-13

    Transition intensities for small molecules such as water and CO 2 can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high-accuracy ab initio dipole moment surfaces and wave functions from spectroscopically determined potential energy surfaces (PESs). Here, an extra high-accuracy PES of the water molecule (H 2 16 O) is produced starting from an ab initio PES which is then refined to empirical rovibrational energy levels. Variational nuclear motion calculations using this PES reproduce the fitted energy levels with a standard deviation of 0.011 cm -1 , approximately three times their stated uncertainty. The use of wave functions computed with this refined PES is found to improve the predicted transition intensities for selected (problematic) transitions. A new room temperature line list for H 2 16 O is presented. It is suggested that the associated set of line intensities is the most accurate available to date for this species.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

  14. Inverse modelling of Köhler theory – Part 1: A response surface analysis of CCN spectra with respect to surface-active organic species

    Directory of Open Access Journals (Sweden)

    S. Lowe

    2016-09-01

    Full Text Available In this study a novel framework for inverse modelling of cloud condensation nuclei (CCN spectra is developed using Köhler theory. The framework is established by using model-generated synthetic measurements as calibration data for a parametric sensitivity analysis. Assessment of the relative importance of aerosol physicochemical parameters, while accounting for bulk–surface partitioning of surface-active organic species, is carried out over a range of atmospherically relevant supersaturations. By introducing an objective function that provides a scalar metric for diagnosing the deviation of modelled CCN concentrations from synthetic observations, objective function response surfaces are presented as a function of model input parameters. Crucially, for the chosen calibration data, aerosol–CCN spectrum closure is confirmed as a well-posed inverse modelling exercise for a subset of the parameters explored herein. The response surface analysis indicates that the appointment of appropriate calibration data is particularly important. To perform an inverse aerosol–CCN closure analysis and constrain parametric uncertainties, it is shown that a high-resolution CCN spectrum definition of the calibration data is required where single-valued definitions may be expected to fail. Using Köhler theory to model CCN concentrations requires knowledge of many physicochemical parameters, some of which are difficult to measure in situ on the scale of interest and introduce a considerable amount of parametric uncertainty to model predictions. For all partitioning schemes and environments modelled, model output showed significant sensitivity to perturbations in aerosol log-normal parameters describing the accumulation mode, surface tension, organic : inorganic mass ratio, insoluble fraction, and solution ideality. Many response surfaces pertaining to these parameters contain well-defined minima and are therefore good candidates for calibration using a Monte

  15. Measurement of Near-Surface Salinity, Temperature and Directional Wave Spectra using a Novel Wave-Following, Lagrangian Surface Contact Buoy

    Science.gov (United States)

    Boyle, J. P.

    2016-02-01

    Results from a surface contact drifter buoy which measures near-surface conductivity ( 10 cm depth), sea state characteristics and near-surface water temperature ( 2 cm depth) are described. This light (autonomous, with low power requirements and solar panel battery recharging. Onboard sensors include an inductive toroidal conductivity probe for salinity measurement, a nine-degrees-of-freedom motion package for derivation of directional wave spectra and a thermocouple for water temperature measurement. Data retrieval for expendable, ocean-going operation uses an onboard Argos transmitter. Scientific results as well as data processing algorithms are presented from laboratory and field experiments which support qualification of buoy platform measurements. These include sensor calibration experiments, longer-term dock-side biofouling experiments during 2013-2014 and a series of short-duration ocean deployments in the Gulf Stream in 2014. In addition, a treatment method will be described which appears to minimize the effects of biofouling on the inductive conductivity probe when in coastal surface waters. Due to its low cost and ease of deployment, scores, perhaps hundreds of these novel instruments could be deployed from ships or aircraft during process studies or to provide surface validation for satellite-based measurements, particularly in high precipitation regions.

  16. Surface-enhanced Raman scattering spectra of adsorbates on Cu₂O nanospheres: charge-transfer and electromagnetic enhancement.

    Science.gov (United States)

    Jiang, Li; You, Tingting; Yin, Penggang; Shang, Yang; Zhang, Dongfeng; Guo, Lin; Yang, Shihe

    2013-04-07

    Surface-enhanced Raman scattering (SERS) spectra of 4-mercaptobenzoic acid (4-MBA) have been investigated on the surface of Cu2O nanospheres. The SERS signals were believed to originate from the static chemical enhancement, resonant chemical enhancement and electromagnetic enhancement. The coupling between the adsorbates and the semiconductor, evidenced by the shift in absorption spectrum of modified Cu2O and the enhancement of non-totally symmetric modes of the 4-MBA and 4-mercaptopyridine (4-MPY) molecules, were invoked to explain the experimental results. Furthermore, simulations were employed to investigate the nature of the enhancement mechanisms operative between the molecules and the semiconductor. Density functional theory (DFT) calculations suggested a charge transfer (CT) transition process between the molecules and the Cu2O nanospheres. Three-dimensional finite-difference time domain (3D-FDTD) simulations were conducted to map out the electromagnetic field around the Cu2O nanospheres. The experimental and simulation results have revealed the promise of the Cu2O nanospheres as a good SERS substrate and the prospect of using the SERS substrate as a valuable tool for in situ investigation and assay of the adsorption behavior on semiconductor surfaces.

  17. Identifying the structure of 4-chlorophenyl isocyanide adsorbed on Au(111) and Pt(111) surfaces by first-principles simulations of Raman spectra.

    Science.gov (United States)

    Hu, Wei; Duan, Sai; Zhang, Yujin; Ren, Hao; Jiang, Jun; Luo, Yi

    2017-12-13

    Surface Raman spectroscopy has become one of the most powerful analytical tools for interfacial structures. However, theoretical modeling for the Raman spectra of molecular adsorbate on metallic surfaces is a long-standing challenge because accurate descriptions of the electronic structure for both the metallic substrates and adsorbates are required. Here we present a quasi-analytical method for high-precision surface Raman spectra at the first principle level. Using this method, we correlate both geometrical and electronic structures of a single 4-chlorophenyl isocyanide (CPI) molecule adsorbed on a Au(111) or Pt(111) surface with its Raman spectra. The "finger-print" frequency shift of the CN stretching mode reveals the in situ configuration of CPI is vertical adsorption on the top site of the Au(111) surface, but a bent configuration when it adsorbs on the hollow site of the Pt(111) surface. Electronic structure calculations reveal that a π-back donation mechanism often causes a red shift to the Raman response of CN stretching mode. In contrast, σ donation as well as a wall effect introduces a blue shift to the CN stretching mode. A clear relationship for the dependence of Raman spectra on the surface electronic and geometrical information is built up, which largely benefits the understanding of chemical and physical changes during the adsorption. Our results highlight that high-precision theoretical simulations are essential for identifying in situ geometrical and electronic surface structures.

  18. Mathematical analysis of the Photovoltage Decay (PVD) method for minority carrier lifetime measurements

    Science.gov (United States)

    Vonroos, O. H.

    1982-01-01

    When the diffusion length of minority carriers becomes comparable with or larger than the thickness of a p-n junction solar cell, the characteristic decay of the photon-generated voltage results from a mixture of contributions with different time constants. The minority carrier recombination lifetime tau and the time constant l(2)/D, where l is essentially the thickness of the cell and D the minority carrier diffusion length, determine the signal as a function of time. It is shown that for ordinary solar cells (n(+)-p junctions), particularly when the diffusion length L of the minority carriers is larger than the cell thickness l, the excess carrier density decays according to exp (-t/tau-pi(2)Dt/4l(2)), tau being the lifetime. Therefore, tau can be readily determined by the photovoltage decay method once D and L are known.

  19. RESEARCH OF THE ENTRANCE ANGLE EFFECT ON THE REFLECTANCE SPECTRA OF THE STAINLESS STEEL SURFACE OXIDIZED BY PULSED LASER RADIATION

    Directory of Open Access Journals (Sweden)

    V. P. Veiko

    2016-05-01

    Full Text Available Subject of Research.Oxide films on the metal surfaces can be obtained both by surface-uniform infrared heating and local laser treatment e.g. by sequence of nanosecond laser pulses. Due to interference in created films the coloration of treated area is observed. The present work shows the results of spectrophotometric measurements for various light entrance angles in the range of 10-60°. Method. AISI 304 stainless steel plates were oxidized by two methods: in muffle furnace FM - 10 (Т= 500-600° С, t = 5-7 min. and at line-by-line scanning by sequence of nanosecond laser pulses (λ = 1.06 μm, τ =100 ns, r = 25 μm,q=2.91∙107 W/cm2, Nx = 30, Ny = 1. Surface research in optical resolution was realized by Carl Zeiss Axio Imager A1M. Reflectance spectra were obtained with spectrophotometer Lambda Perkin 1050 with integrating sphere at different fixed light incidence angles. Topographic features were detected by scanning probe microscopy investigation with NanoEducator equipment. Main Results. The quantitative surface geometry characteristics of AISI 304 stainless steel patterns treated by different methods are obtained. It was found that the increase of light entrance angle has no influence on the form of reflection coefficient dependence from a wavelength, but a blue-shift occurs especially for the case of laser treatment. This difference can be caused by surface topology formed by laser heating and variety of oxide film thickness. This effect results in more significant change in observed sample color for laser treatment then for infrared heating. Practical Relevance. The results obtained in the present work can be used to implement a new element of product protection against forgery with the product marking.

  20. Collisional Processing Of Comet And Asteroid Surfaces: Velocity Effects On Absorption Spectra

    Science.gov (United States)

    Jensen, Elizabeth; Lederer, S. M.; Wooden, D. H.; Lindsay, S. S.; Nakamura-Messenger, K.; Keller, L. P.; Cintala, M. J.; Zolensky, M. E.

    2012-10-01

    A new paradigm has emerged where 3.9 Gyr ago, a violent reshuffling reshaped the placement of small bodies in the solar system (the Nice model). Surface properties of these objects may have been affected by collisions caused by this event, and by collisions with other small bodies since their emplacement. These impacts affect the spectroscopic observations of these bodies today. Shock effects (e.g., planar dislocations) manifest in minerals allowing astronomers to better understand geophysical impact processing that has occurred on small bodies. At the Experimental Impact Laboratory at NASA Johnson Space Center, we have impacted forsterite and enstatite across a range of velocities. We find that the amount of spectral variation, absorption wavelength, and full width half maximum of the absorbance peaks vary non-linearly with the velocity of the impact. We also find that the spectral variation increases with decreasing crystal size (single solid rock versus granular). Future analyses include quantification of the spectral changes with different impactor densities, temperature, and additional impact velocities. Results on diopside, fayalite, and magnesite can be found in Lederer et al., this meeting. Funding was provided by the NASA PG&G grant 09-PGG09-0115, NSF grant AST-1010012, and a Cottrell College Scholarship through the Research Corporation.

  1. Online Monitoring of Laser-Generated XUV Radiation Spectra by Surface Reflectivity Measurements with Particle Detectors

    Directory of Open Access Journals (Sweden)

    Andreas Hoffmann

    2017-01-01

    Full Text Available In this contribution, we present a wavelength-sensitive method for the detection of extreme ultraviolet (XUV photon energies between 30 eV and 120 eV. The method is based on 45° reflectivity from either a cesium iodide-coated or an uncoated metal surface, which directs the XUV beam onto an electron or ion detector and its signal is used to monitor the XUV beam. The benefits of our approach are a spectrally sensitive diagnosis of the XUV radiation at the interaction place of time-resolved XUV experiments and the detection of infrared leak light though metal filters in high-harmonic generation (HHG experiments. Both features were tested using spectrally shaped XUV pulses from HHG in a capillary, and we have achieved excellent agreement with XUV spectrometer measurements and reflectivity calculations. Our obtained results are of interest for time-resolved XUV experiments presenting an additional diagnostic directly in the interaction region and for small footprint XUV beamline diagnostics.

  2. A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra.

    Science.gov (United States)

    Gavrielides, A; Duguet, T; Esvan, J; Lacaze-Dufaure, C; Bagus, P S

    2016-08-21

    Whereas poly-epoxy polymers represent a class of materials with a wide range of applications, the structural disorder makes them difficult to model. In the present work, we use good experimental model samples in the sense that they are pure, fully polymerized, flat and smooth, defect-free, and suitable for ultrahigh vacuum x-ray photoelectron spectroscopy, XPS, experiments. In parallel, we perform Hartree-Fock, HF, calculations of the binding energies, BEs, of the C1s electrons in a model molecule composed of the two constituents of the poly-epoxy sample. These C1s BEs were determined using the HF ΔSCF method, which is known to yield accurate values, especially for the shifts of the BEs, ΔBEs. We demonstrate the benefits of combining rigorous theory with careful XPS measurements in order to obtain correct assignments of the C1s XPS spectra of the polymer sample. Both the relative binding energies-by the ΔSCF method-and relative intensities-in the sudden approximation, SA, are calculated. It results in an excellent match with the experimental spectra. We are able to identify 9 different chemical environments under the C1s peak, where an exclusively experimental work would have found only 3 contributions. In addition, we observe that some contributions are localized at discrete binding energies, whereas others allow a much wider range because of the variation of their second neighbor bound polarization. Therefore, HF-ΔSCF simulations significantly increase the spectral resolution of XPS and thus offer a new avenue for the exploration of the surface of polymers.

  3. Exciton diffusion length in some thermocleavable polythiophenes by the surface photovoltage method

    DEFF Research Database (Denmark)

    Tousek, J.; Touskova, J.; Remes, Z.

    2012-01-01

    property is that P3MHOCT can serve as a precursor which, after thermal annealing, converts into more rigid and insoluble P3CT and further thermal treatment produces native unsubstituted PT. Ellipsometric measurement yielded data on the thickness of the spin coated layers; absorption coefficients were...

  4. The research on the surface photovoltaic properties of porphyrin affected by nano-TiO2

    International Nuclear Information System (INIS)

    Li Ziheng; Wang Dejun; Shi Yingyan; Wang Ping; Wang Xingqiao

    2005-01-01

    The degeneration of energy level of α, β, γ, δ-tetrahydroxylphenylporphyrin (THPP) and red shift of the photovoltage peaks of THPP are observed as the size of nano-TiO 2 decreasing using surface photovoltage (SPV) technique, while that of α, β, γ, δ-tetraphenylporphyrin (TPP) have little change. The reason for that is the existence of hydroxyls of THPP, which interact with the surface of nano-TiO 2 . This difference was also demonstrated by IR spectrum

  5. Rapid, nondestructive estimation of surface polymer layer thickness using attenuated total reflection fourier transform infrared (ATR FT-IR) spectroscopy and synthetic spectra derived from optical principles.

    Science.gov (United States)

    Weinstock, B André; Guiney, Linda M; Loose, Christopher

    2012-11-01

    We have developed a rapid, nondestructive analytical method that estimates the thickness of a surface polymer layer with high precision but unknown accuracy using a single attenuated total reflection Fourier transform infrared (ATR FT-IR) measurement. Because the method is rapid, nondestructive, and requires no sample preparation, it is ideal as a process analytical technique. Prior to implementation, the ATR FT-IR spectrum of the substrate layer pure component and the ATR FT-IR and real refractive index spectra of the surface layer pure component must be known. From these three input spectra a synthetic mid-infrared spectral matrix of surface layers 0 nm to 10,000 nm thick on substrate is created de novo. A minimum statistical distance match between a process sample's ATR FT-IR spectrum and the synthetic spectral matrix provides the thickness of that sample. We show that this method can be used to successfully estimate the thickness of polysulfobetaine surface modification, a hydrated polymeric surface layer covalently bonded onto a polyetherurethane substrate. A database of 1850 sample spectra was examined. Spectrochemical matrix-effect unknowns, such as the nonuniform and molecularly novel polysulfobetaine-polyetherurethane interface, were found to be minimal. A partial least squares regression analysis of the database spectra versus their thicknesses as calculated by the method described yielded an estimate of precision of ±52 nm.

  6. Quantification of phosphorus metabolites in human calf muscle and soft-tissue tumours from localized MR spectra acquired using surface coils

    Science.gov (United States)

    Doyle, V. L.; Payne, G. S.; Collins, D. J.; Verrill, M. W.; Leach, M. O.

    1997-04-01

    Metabolite concentrations determined from MR spectra provide more specific information than peak area ratios. This paper presents a method of quantification that allows metabolite concentrations to be determined from in vivo MR spectra acquired using a surface coil and ISIS localization. Corrections for the effects of field inhomogeneity produced by surface coils are based on a measured and calibrated spatial sensitivity field map for the coil. Account is taken of imperfections in pulse performance, coil loading effects and relaxation effects, the latter making use of published metabolite relaxation times. The technique is demonstrated on model solutions. The concentrations of the main metabolites in normal human calf muscle measured using this method are [PCr] = ; [Pi] = ; [NTP] = . Quantification of spectra acquired from soft-tissue tumours in patients both pre- and post-treatment showed that changes in metabolite concentrations are more sensitive to metabolic changes than changes in peak area ratios.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  8. Correlation of tunneling spectra with surface nano-morphology and doping in thin YBa2Cu3O7-delta films

    OpenAIRE

    Sharoni, A.; Koren, G.; Millo, O.

    2001-01-01

    Tunneling spectra measured on thin epitaxial YBa2Cu3O7-delta films are found to exhibit strong spatial variations, showing U and V-shaped gaps as well as zero bias conductance peaks typical of a d-wave superconductor. A full correspondence is found between the tunneling spectra and the surface morphology down to a level of a unit-cell step. Splitting of the zero bias conductance peak is seen in optimally-doped and overdoped films, but not in the underdoped ones, suggesting that there is no tr...

  9. Chemometric evaluation of temperature-dependent surface-enhanced Raman spectra of riboflavin: What is the best multivariate approach to describe the effect of temperature?

    Science.gov (United States)

    Kokaislová, Alžběta; Kalhousová, Milena; Gráfová, Michaela; Matějka, Pavel

    2014-10-01

    Riboflavin is an essential nutrient involved in energetic metabolism. It is used as a pharmacologically active substance in treatment of several diseases. From analytical point of view, riboflavin can be used as an active part of sensors for substances with affinity to riboflavin molecules. In biological environment, metal substrates coated with riboflavin are exposed to temperatures that are different from room temperature. Hence, it is important to describe the influence of temperature on adsorbed molecules of riboflavin, especially on orientation of molecules towards the metal surface and on stability of adsorbed molecular layer. Surface-enhanced Raman scattering (SERS) spectroscopy is a useful tool for investigation of architecture of molecular layers adsorbed on metal surfaces because the spectral features in SERS spectra change with varying orientation of molecules towards the metal surface, as well as with changes in mutual interactions among adsorbed molecules. In this study, riboflavin was adsorbed on electrochemically prepared massive silver substrates that were exposed to temperature changes according to four different temperature programs. Raman spectra measured at different temperatures were compared considering positions of spectral bands, their intensities, bandwidths and variability of all these parameters. It was found out that increase of substrate temperature up to 50 °C does not lead to any observable decomposition of riboflavin molecules, but the changes of band intensity ratios within individual spectra are apparent. To distinguish sources of variability beside changes in band intensities and widths, Principal Component Analysis (PCA) was applied. Discriminant Analysis (DA) was used to explore if the SERS spectra can be separated according to temperature. The results of Partial Least Squares (PLS) regression demonstrate the possibility to predict the sample temperature using SERS spectral features. Results of all performed experiments and

  10. Highly Efficient Perovskite-Perovskite Tandem Solar Cells Reaching 80% of the Theoretical Limit in Photovoltage.

    Science.gov (United States)

    Rajagopal, Adharsh; Yang, Zhibin; Jo, Sae Byeok; Braly, Ian L; Liang, Po-Wei; Hillhouse, Hugh W; Jen, Alex K-Y

    2017-09-01

    Organic-inorganic hybrid perovskite multijunction solar cells have immense potential to realize power conversion efficiencies (PCEs) beyond the Shockley-Queisser limit of single-junction solar cells; however, they are limited by large nonideal photovoltage loss (V oc,loss ) in small- and large-bandgap subcells. Here, an integrated approach is utilized to improve the V oc of subcells with optimized bandgaps and fabricate perovskite-perovskite tandem solar cells with small V oc,loss . A fullerene variant, Indene-C 60 bis-adduct, is used to achieve optimized interfacial contact in a small-bandgap (≈1.2 eV) subcell, which facilitates higher quasi-Fermi level splitting, reduces nonradiative recombination, alleviates hysteresis instabilities, and improves V oc to 0.84 V. Compositional engineering of large-bandgap (≈1.8 eV) perovskite is employed to realize a subcell with a transparent top electrode and photostabilized V oc of 1.22 V. The resultant monolithic perovskite-perovskite tandem solar cell shows a high V oc of 1.98 V (approaching 80% of the theoretical limit) and a stabilized PCE of 18.5%. The significantly minimized nonideal V oc,loss is better than state-of-the-art silicon-perovskite tandem solar cells, which highlights the prospects of using perovskite-perovskite tandems for solar-energy generation. It also unlocks opportunities for solar water splitting using hybrid perovskites with solar-to-hydrogen efficiencies beyond 15%. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. An algorithm for hyperspectral remote sensing of aerosols: 2. Information content analysis for aerosol parameters and principal components of surface spectra

    Science.gov (United States)

    Hou, Weizhen; Wang, Jun; Xu, Xiaoguang; Reid, Jeffrey S.

    2017-05-01

    This paper describes the second part of a series of investigation to develop algorithms for simultaneous retrieval of aerosol parameters and surface reflectance from the future hyperspectral and geostationary satellite sensors such as Tropospheric Emissions: Monitoring of POllution (TEMPO). The information content in these hyperspectral measurements is analyzed for 6 principal components (PCs) of surface spectra and a total of 14 aerosol parameters that describe the columnar aerosol volume Vtotal, fine-mode aerosol volume fraction, and the size distribution and wavelength-dependent index of refraction in both coarse and fine mode aerosols. Forward simulations of atmospheric radiative transfer are conducted for 5 surface types (green vegetation, bare soil, rangeland, concrete and mixed surface case) and a wide range of aerosol mixtures. It is shown that the PCs of surface spectra in the atmospheric window channel could be derived from the top-of-the-atmosphere reflectance in the conditions of low aerosol optical depth (AOD ≤ 0.2 at 550 nm), with a relative error of 1%. With degree freedom for signal analysis and the sequential forward selection method, the common bands for different aerosol mixture types and surface types can be selected for aerosol retrieval. The first 20% of our selected bands accounts for more than 90% of information content for aerosols, and only 4 PCs are needed to reconstruct surface reflectance. However, the information content in these common bands from each TEMPO individual observation is insufficient for the simultaneous retrieval of surface's PC weight coefficients and multiple aerosol parameters (other than Vtotal). In contrast, with multiple observations for the same location from TEMPO in multiple consecutive days, 1-3 additional aerosol parameters could be retrieved. Consequently, a self-adjustable aerosol retrieval algorithm to account for surface types, AOD conditions, and multiple-consecutive observations is recommended to derive

  12. Codependence between Crystalline and Photovoltage Evolutions in P3HT:PCBM Solar Cells Probed with in-Operando GIWAXS.

    Science.gov (United States)

    Moseguí González, Daniel; Schaffer, Christoph J; Pröller, Stephan; Schlipf, Johannes; Song, Lin; Bernstorff, Sigrid; Herzig, Eva M; Müller-Buschbaum, Peter

    2017-02-01

    We address the correlation between the crystalline state of photoactive materials in a model organic solar cell based on poly(3-hexylthiophene-2,5-diyl):phenyl-C 60 -butyric acid methyl ester (P3HT:PCBM) and the photovoltage in an in-operando investigation. I-V curves are simultaneously measured together with grazing incidence wide-angle X-ray scattering probing the crystalline state of the device active layer as a function of the operation time. The results show a high degree of correlation between open-circuit voltage V OC and the crystalline state of P3HT.

  13. Opto-electro-modulated transient photovoltage and photocurrent system for investigation of charge transport and recombination in solar cells.

    Science.gov (United States)

    Shi, Jiangjian; Li, Dongmei; Luo, Yanhong; Wu, Huijue; Meng, Qingbo

    2016-12-01

    An opto-electro-modulated transient photovoltage/photocurrent system has been developed to probe microscopic charge processes of a solar cell in its adjustable operating conditions. The reliability of this system is carefully determined by electric circuit simulations and experimental measurements. Using this system, the charge transport, recombination and storage properties of a conventional multicrystalline silicon solar cell under different steady-state bias voltages, and light illumination intensities are investigated. This system has also been applied to study the influence of the hole transport material layer on charge extraction and the microscopic charge processes behind the widely considered photoelectric hysteresis in perovskite solar cells.

  14. 3D spectrum imaging of multi-wall carbon nanotube coupled π-surface modes utilising electron energy-loss spectra acquired using a STEM/Enfina system

    International Nuclear Information System (INIS)

    Seepujak, A.; Bangert, U.; Gutierrez-Sosa, A.; Harvey, A.J.; Blank, V.D.; Kulnitskiy, B.A.; Batov, D.V.

    2005-01-01

    Numerous studies have utilised electron energy-loss (EEL) spectra acquired in the plasmon (2-10 eV) regime in order to probe delocalised π-electronic states of multi-wall carbon nanotubes (MWCNTs). Interpretation of electron energy loss (EEL) spectra of MWCNTs in the 2-10 eV regime. Carbon (accepted for publication); Blank et al. J. Appl. Phys. 91 (2002) 1657). In the present contribution, EEL spectra were acquired from a 2D raster defined on a bottle-shaped MWCNT, using a Gatan UHV Enfina system attached to a dedicated scanning transmission electron microscope (STEM). The technique utilised to isolate and sequentially filter each of the volume and surface resonances is described in detail. Utilising a scale for the intensity of a filtered mode enables one to 'see' the distribution of each resonance in the raster. This enables striking 3D resonance-filtered spectrum images (SIs) of π-collective modes to be observed. Red-shift of the lower energy split π-surface resonance provides explicit evidence of π-surface mode coupling predicted for thin graphitic films (Lucas et al. Phys. Rev. B 49 (1994) 2888). Resonance-filtered SIs are also compared to non-filtered SIs with suppressed surface contributions, acquired utilising a displaced collector aperture. The present filtering technique is seen to isolate surface contributions more effectively, and without the significant loss of statistics, associated with the displaced collector aperture mode. Isolation of collective modes utilising 3D resonance-filtered spectrum imaging, demonstrates a valuable method for 'pinpointing' the location of discrete modes in irregularly shaped nanostructures

  15. Correlation of tunneling spectra with surface nanomorphology and doping in thin YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films

    Energy Technology Data Exchange (ETDEWEB)

    Sharoni, A.; Millo, O. [Hebrew Univ., Jerusalem (Israel). Racah Inst. of Physics; Koren, G. [Technion-Israel Inst. of Tech., Haifa (Israel). Dept. of Physics

    2001-06-01

    Tunneling spectra measured on thin epitaxial YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films are found to exhibit strong spatial variations, showing U- and V-shaped gaps as well as zero-bias conductance peaks typical of a d-wave superconductor. A full correspondence is found between the tunneling spectra and the surface morphology down to a level of a unit-cell step. Splitting of the zero-bias conductance peak is seen in optimally-doped and overdoped films, but not in the underdoped ones, suggesting that there is no transition to a state of broken time-reversal symmetry in the underdoped regime. (orig.)

  16. Tailoring surface plasmon resonance and dipole cavity plasmon modes of scattering cross section spectra on the single solid-gold/gold-shell nanorod

    International Nuclear Information System (INIS)

    Chou Chau, Yuan-Fong; Lim, Chee Ming; Kumara, N. T. R. N.; Yoong, Voo Nyuk; Lee, Chuanyo; Huang, Hung Ji; Lin, Chun-Ting; Chiang, Hai-Pang

    2016-01-01

    Tunable surface plasmon resonance (SPR) and dipole cavity plasmon modes of the scattering cross section (SCS) spectra on the single solid-gold/gold-shell nanorod have been numerically investigated by using the finite element method. Various effects, such as the influence of SCS spectra under x- and y-polarizations on the surface of the single solid-gold/gold-shell nanorod, are discussed in detail. With the single gold-shell nanorod, one can independently tune the relative SCS spectrum width by controlling the rod length and rod diameter, and the surface scattering by varying the shell thickness and polarization direction, as well as the dipole peak energy. These behaviors are consistent with the properties of localized SPRs and offer a way to optically control and produce selected emission wavelengths from the single solid-gold/gold-shell nanorod. The electric field and magnetic distributions provide us a qualitative idea of the geometrical properties of the single solid-gold/gold-shell nanorod on plasmon resonance.

  17. BETA SPECTRA. I. Negatrons spectra

    International Nuclear Information System (INIS)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-01-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  18. System for Monitoring, Determining, and Reporting Directional Spectra of Ocean Surface Waves in Near Realtime from a Moored Buoy

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — A moored buoy floating at the ocean surface and anchored to the seafloor precisely measures acceleration, pitch, roll, and Earth's magnetic flux field of the buoy...

  19. Seasonal signatures in SFG vibrational spectra of the sea surface nanolayer at Boknis Eck Time Series Station (SW Baltic Sea)

    Science.gov (United States)

    Laß, K.; Bange, H. W.; Friedrichs, G.

    2013-08-01

    The very thin sea surface nanolayer on top of the sea surface microlayer, sometimes just one monomolecular layer thick, forms the interface between ocean and atmosphere. Due to the small dimension and tiny amount of substance, knowledge about the development of the layer in the course of the year is scarce. In this work, the sea surface nanolayer at Boknis Eck Time Series Station (BE), southwestern Baltic Sea, has been investigated over a period of three and a half years. Surface water samples were taken monthly by screen sampling and were analyzed in terms of organic content and composition by sum frequency generation spectroscopy, which is specifically sensitive to interfacial layers. A yearly periodicity has been observed with a pronounced abundance of sea surface nanolayer material (such as carbohydrate-rich material) during the summer months. On the basis of our results we conclude that the abundance of organic material in the nanolayer at Boknis Eck is not directly related to phytoplankton abundance alone. We speculate that indeed sloppy feeding of zooplankton together with photochemical and/or microbial processing of organic precursor compounds is responsible for the pronounced seasonality.

  20. Zn(II)-concentration dependent Raman spectra in the dithizone complex on gold nanoparticle surfaces in environmental water samples

    Science.gov (United States)

    Ly, Nguyen Hoang; Joo, Sang-Woo

    2015-11-01

    After the formation of dithizone with metal ion complexes, a selective Raman detection method for the Zn2+ ions in aqueous solutions was developed by observing the intensity change of the ring mode peaks at ∼1585 cm-1 on gold nanoparticles (AuNPs). At high concentrations of Zn2+ ions, the conformation of the dithizone complex may have different orientations on AuNPs to yield the spectral changes at ca. ∼510 and ∼1585 cm-1. The concentration dependent spectra changes indicated that a detection limit would be in the submicromolar region of Zn2+ ions. The other ions of Mg2+, K+, Fe3+, Hg2+, Co2+, Fe2+, Pb2+, Cu2+, Ni2+, Cr3+, NH4+, Cd2+, Na+, Ca2+, and Mn2+ at micromolar concentrations of 1 μM did not produce such spectral changes. The detection limit based on the Raman band intensities was estimated to be as low as 500 nM of Zn2+ ion in aqueous solutions. The three real samples of tap, river, and seawater were tested under the interference of the commonly existing interfering ions. Despite the presence of highly concentrated Na, Ca, Mg, and K, our interfacial spectroscopic methodology of Zn2+ determination could be applied in the environmental water samples.

  1. In-out asymmetry of surface excitations in reflection-electron-energy-loss spectra of polycrystalline Al

    Czech Academy of Sciences Publication Activity Database

    Salvat-Pujol, F.; Werner, W. S. M.; Novák, M.; Jiříček, Petr; Zemek, Josef

    2014-01-01

    Roč. 89, č. 20 (2014), "205435-1"-"205435-7" ISSN 1098-0121 Grant - others:AV ČR(CZ) M100101202 Institutional support: RVO:68378271 Keywords : surface excitation * in-out asymmetry * REELS * Al Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  2. Surface-enhanced Raman scattering spectra revealing the inter-cultivar differences for Chinese ornamental Flos Chrysanthemum: a new promising method for plant taxonomy

    Directory of Open Access Journals (Sweden)

    Heng Zhang

    2017-10-01

    Full Text Available Abstract Background Flos Chrysanthemi, as a part of Chinese culture for a long history, is valuable for not only environmental decoration but also the medicine and food additive. Due to their voluminously various breeds and extensive distributions worldwide, it is burdensome to make recognition and classification among numerous cultivars with conventional methods which still rest on the level of morphologic observation and description. As a fingerprint spectrum for parsing molecular information, surface-enhanced Raman scattering (SERS could be a suitable candidate technique to characterize and distinguish the inter-cultivar differences at molecular level. Results SERS spectra were used to analyze the inter-cultivar differences among 26 cultivars of Chinese ornamental Flos Chrysanthemum. The characteristic peaks distribution patterns were abstracted from SERS spectra and varied from cultivars to cultivars. For the bands distributed in the pattern map, the similarities in general showed their commonality while in the finer scales, the deviations and especially the particular bands owned by few cultivars revealed their individualities. Since the Raman peaks could characterize specific chemical components, those diversity of patterns could indicate the inter-cultivar differences at the chemical level in fact. Conclusion In this paper, SERS technique is feasible for distinguishing the inter-cultivar differences among Flos Chrysanthemum. The Raman spectral library was built with SERS characteristic peak distribution patterns. A new method was proposed for Flos Chrysanthemum recognition and taxonomy.

  3. Furan interaction with the Si(001)-(2 x 2) surface: structural, energetics, and vibrational spectra from first-principles

    International Nuclear Information System (INIS)

    Miotto, R; Ferraz, A C

    2009-01-01

    In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of furan on the silicon (001) surface. A direct comparison of different adsorption structures with x-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), near edge x-ray absorption fine structure (NEXAFS), and high resolution spectroscopy experimental data allows us to identify the [4+2 ] cycloaddition reaction as the most probable adsorbate. In addition, theoretical scanning tunnelling microscopy (STM) images are presented, with a view to contributing to further experimental investigations.

  4. Plasmon-less surface enhanced Raman spectra induced by self-organized networks of silica nanoparticles produced by femtosecond lasers.

    Science.gov (United States)

    Bellouard, Yves; Block, Erica; Squier, Jeff; Gobet, Jean

    2017-05-01

    Raman spectroscopy is the workhorse for label-free analysis of molecules. It relies on the inelastic scattering of incoming monochromatic light impinging molecules of interest. This effect leads to a very weak emission of light spectrum that provides a signature of the molecules being observed. Considerable efforts have been made over the last decades, in particular with the development of Surface Enhanced Raman Spectroscopy (SERS), to enhance the intensity of the emitted signal so that ultimately, traces of molecules can be detected. Here, we show that dense self-organized networks of quasi-monodisperse nanoparticles redepositing during femtosecond laser ablation of trenches in fused silica can lead to a significant field enhancement effect, enabling the Raman detection of a single-molecule layer deposited on the surface (so called monolayer). Unlike previously reported for SERS experiments, here, there is no metal layer promoting plasmonics effects causing localized field enhancement. The method for producing SERS substrates is therefore quite straightforward and low cost.

  5. Stochastic models and spectra of interannual variability of mean annual sea surface temperature in the North Atlantic

    Science.gov (United States)

    Privalsky, V. E.

    1988-10-01

    Estimates of one- and two-variate autoregressive models of mean annual sea surface temperature (SST) in five Smed squares in the North Atlantic are obtained by analysing time series of SST, 1881-1970. Year-to-year variations of SST are shown to follow the AR model of order one with a regression parameter of 0.5 so that their generalized spectrum decreases monotonically and relatively fast with frequency while the limits of statistical predictability amount up to two years. Two-variate models of SST reveal frequency-dependent time lags up to three years and possess slightly better statistical predictability. A feedback in the system of warm and cold currents is found with a characteristic time scale of about six years, which plays an important role in the system's energy budget.

  6. Near-infrared spectra and rovibrational dynamics on a four-dimensional ab initio potential energy surface of (HBr)2.

    Science.gov (United States)

    Castillo-Chará, J; McIntosh, A L; Wang, Z; Lucchese, R R; Bevan, J W

    2004-06-08

    Supersonic jet investigations of the (HBr)(2) dimer have been carried out using a tunable diode laser spectrometer to provide accurate data for comparison with results from a four-dimensional (4-D) ab initio potential energy surface (PES). The near-infrared nu(1) (+/-), nu(2) (+/-), and (nu(1)+nu(4))(-) bands of (H (79)Br)(2), (H (79)Br-H (81)Br), and (H (81)Br)(2) isotopomers have been recorded in the range 2500-2600 cm(-1) using a CW slit jet expansion with an upgraded near-infrared diode laser spectrometer. The 4-D PES has been calculated for (HBr)(2) using second-order Møller-Plesset perturbation theory with an augmented and polarized 6-311G basis set. The potential is characterized by a global minimum occurring at the H bond structure with the distance between the center of masses (CM) of the monomer being R(CM)=4.10 A with angles theta(A)=10 degrees, theta(B)=100 degrees and a well depth of 692.2 cm(-1), theta(A) is the angle the HBr bond of monomer A makes with the vector from the CM of A to the CM of B, and theta(B) is the corresponding angle monomer B makes with the same CM-CM vector. The barrier for the H interchange occurs at the closed C(2h) structure for which R(CM)=4.07 A, theta(A)=45 degrees, theta(B)=135 degrees, and the barrier height is 73.9 cm(-1). The PES was fitted using a linear-least squares method and the rovibrational energy levels of the complex were calculated by a split pseudospectral method. The spectroscopic data provide accurate molecular parameters for the dimer that are then compared with the results predicted on the basis of the 4-D ab initio PES. (c) 2004 American Institute of Physics.

  7. Hall Effect and transient surface photovoltage (SPV) study of Cu3BiS3 thin films

    OpenAIRE

    Mesa, Fredy

    2014-01-01

    Se presentan las propiedades eléctricas del compuesto Cu3BiS3 depositado por co-evaporación. Este es un nuevo compuesto que puede tener propiedades adecuadas para ser utilizado como capa absorbente en celdas solares. Las muestras fueron caracterizadas a través de medidas de efecto Hall y fotovoltaje superficial transiente (SPV). A través de medidas de efecto Hall se encontró que la concentración de portadores de carga n es del orden de 1016 cm-3 independiente de la relación de masas de Cu/Bi....

  8. High-bandwidth, high-sampling-rate, low-noise, two-probe transient photovoltage measuring system

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Xiaoqing, E-mail: xiaoqingchen@fudan.edu.cn [Key Laboratory of Micro and Nano Photonic Structures (Ministry of Education) and State Key Laboratory of Surface Physics, Fudan University, Shanghai 200433 (China); Wu, Bo [Department of Physics and Institute of Advanced Materials, Hong Kong Baptist University, Kowloon Tong, Hong Kong (China)

    2015-01-15

    In this article, we present a two-probe configuration for measuring transient photovoltage (TPV) signals from photo-electronic semiconductor devices. Unlike in a conventional one-probe system, the two electrodes of the devices under test in this study are both monitored in our new measuring system, giving rise to a significantly enhanced signal-to-noise ratio. Tentative experimental data ob tained from N, N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine-based organic semiconductor devices show that the bandwidth and the sampling rate of the system reach 1.5 GHz and 50 GS/s, respectively, without degradation of the noise level. In addition, the study of TPV signals on each individual electrode is allowed. The TPV values measured by the two individual probes are not identically equal to half of the differential TPV and will not cancel each other out as expected. This abnormal phenomenon is due to the photoelectric response of the photo-electronic material. This novel two-probe TPV measuring technique and abnormal TPV behavior might be useful for studying more dynamic processes in photo-electronic semiconductors.

  9. High-bandwidth, high-sampling-rate, low-noise, two-probe transient photovoltage measuring system

    International Nuclear Information System (INIS)

    Chen, Xiaoqing; Wu, Bo

    2015-01-01

    In this article, we present a two-probe configuration for measuring transient photovoltage (TPV) signals from photo-electronic semiconductor devices. Unlike in a conventional one-probe system, the two electrodes of the devices under test in this study are both monitored in our new measuring system, giving rise to a significantly enhanced signal-to-noise ratio. Tentative experimental data ob tained from N, N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine-based organic semiconductor devices show that the bandwidth and the sampling rate of the system reach 1.5 GHz and 50 GS/s, respectively, without degradation of the noise level. In addition, the study of TPV signals on each individual electrode is allowed. The TPV values measured by the two individual probes are not identically equal to half of the differential TPV and will not cancel each other out as expected. This abnormal phenomenon is due to the photoelectric response of the photo-electronic material. This novel two-probe TPV measuring technique and abnormal TPV behavior might be useful for studying more dynamic processes in photo-electronic semiconductors

  10. Enhancing the Photovoltage of Ni/ n-Si Photoanode for Water Oxidation through a Rapid Thermal Process.

    Science.gov (United States)

    Li, Shengyang; She, Guangwei; Chen, Cheng; Zhang, Shaoyang; Mu, Lixuan; Guo, Xiangxin; Shi, Wensheng

    2018-03-14

    The Ni in the Ni/ n-Si photoanode can not only protect Si from corrosion, but also catalyze the water oxidation reaction. However, the high density of interface states at the Ni/ n-Si interface could pin the Fermi level of silicon, which will lower the Schottky barrier height of the Ni/ n-Si. As a result, a low photovoltage and consequent high onset potential of Ni/ n-Si photoanode for water oxidation were generated. In this study, the interfacial states of the Ni/ n-Si photoanodes were efficiently diminished through a rapid thermal process (RTP). Calculated from the Mott-Schottky plots, the Schottky barrier height of Ni/ n-Si was increased from 0.58 to 0.78 eV after RTP. Under the illumination of 100 mW cm -2 of the Xe lamp, the onset potential of the Ni/ n-Si photoanode for water oxidation was negatively shifted for 150 mV after RTP. Besides, the RTP-treated Ni/ n-Si photoanode exhibited a high stability during the PEC water oxidation of 8 h in 1 M KOH solution.

  11. Photoelectrochemical Complexes of Fucoxanthin-Chlorophyll Protein for Bio-Photovoltaic Conversion with a High Open-Circuit Photovoltage.

    Science.gov (United States)

    Zhang, Tianning; Liu, Cheng; Dong, Wenjing; Wang, Wenda; Sun, Yan; Chen, Xin; Yang, Chunhong; Dai, Ning

    2017-12-05

    Open-circuit photovoltage (V oc ) is among the critical parameters for achieving an efficient light-to-charge conversion in existing solar photovoltaic devices. Natural photosynthesis exploits light-harvesting chlorophyll (Chl) protein complexes to transfer sunlight energy efficiently. We describe the exploitation of photosynthetic fucoxanthin-chlorophyll protein (FCP) complexes for realizing photoelectrochemical cells with a high V oc . An antenna-dependent photocurrent response and a V oc up to 0.72 V are observed and demonstrated in the bio-photovoltaic devices fabricated with photosynthetic FCP complexes and TiO 2 nanostructures. Such high V oc is determined by fucoxanthin in FCP complexes, and is rarely found in photoelectrochemical cells with other natural light-harvesting antenna. We think that the FCP-based bio-photovoltaic conversion will provide an opportunity to fabricate environmental benign photoelectrochemical cells with high V oc , and also help improve the understanding of the essential physics behind the light-to-charge conversion in photosynthetic complexes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Specific behavior of the p-aminothiophenol--silver sol system in their Ultra-Violet-Visible (UV-Visible) and Surface Enhanced Raman (SERS) spectra.

    Science.gov (United States)

    Firkala, Tamás; Tálas, Emília; Mihály, Judith; Imre, Tímea; Kristyán, Sándor

    2013-11-15

    The UV-Visible and Surface Enhanced Raman Spectroscopy (SERS) behavior of silver sol (a typical SERS agent) were studied in the presence of different bifunctional thiols such as p-aminothiophenol, p-mercaptobenzoic acid, p-nitrothiophenol, p-aminothiophenol hydrochloride, and 2-mercaptoethylamine hydrochloride in diluted aqueous solution. Our results confirm that the p-aminothiophenol induced aggregation of citrate stabilized silver colloid originates from its electrostatic nature, as well as the azo-bridge formation cannot be the reason of the observed time dependent UV-Visible spectra. Based on our parallel SERS and electrospray ionization mass spectrometry measurements, we have concluded that certain amount of oxidized form of the probe molecule has to be present for the so-called b2-mode enhancement in the SERS spectrum of p-aminothiophenol. Our findings seem to support the idea that the azo-bridge formation is responsible for the b2-mode enhancement in the SERS spectrum of p-aminothiophenol. Copyright © 2013 Elsevier Inc. All rights reserved.

  13. Absorption spectra of localized surface plasmon resonance observed in an inline/picoliter spectrometer cell fabricated by a near ultraviolet femtosecond laser

    Science.gov (United States)

    Shiraishi, Masahiko; Nishiyama, Michiko; Watanabe, Kazuhiro; Kubodera, Shoichi

    2018-03-01

    Absorption spectra based on localized surface plasmon resonance (LSPR) were obtained with an inline/picoliter spectrometer cell. The spectrometer cell was fabricated into an optical glass fiber by focusing a near UV (NUV) femtosecond laser pulses at a wavelength of 400 nm with an energy of 30 μJ. The laser beam was focused from two directions opposite to each other to fabricate a through-hole spectrometer cell. A diameter of the cell was approximately 3 μm, and the length was approximately 62.5 μm, which was nearly equal to the core diameter of the optical fiber. Liquid solution of gold nanoparticles (GNPs) with a diameter of 5-10 nm was injected into the spectrometer cell with its volume of 0.4 pL. The absorption peak centered at 518 nm was observed. An increase of absorption associated with the increase of the number of nanoparticles was in agreement with the numerical calculation based on the Lambert-Beer law.

  14. Spectrophotometric evaluation of surface morphology dependent catalytic activity of biosynthesized silver and gold nanoparticles using UV–vis spectra: A comparative kinetic study

    International Nuclear Information System (INIS)

    Ankamwar, Balaprasad; Kamble, Vaishali; Sur, Ujjal Kumar; Santra, Chittaranjan

    2016-01-01

    Graphical abstract: - Highlights: • The biosynthesized silver nanoparticles were stable for 6 months and used as effective SERS active substrate. • They are effective catalyst in the chemical reduction of 4-nitrophenol to 4-aminophenol. • Comparative catalytic efficiency of both silver and gold nanoparticles was studied spectrophotometrically. • Our results demonstrate surface morphology dependent catalytic activity of both nanoparticles. - Abstract: The development of eco-friendly and cost-effective synthetic protocol for the preparation of nanomaterials, especially metal nanoparticles is an emerging area of research in nanotechnology. These metal nanoparticles, especially silver can play a crucial role in various catalytic reactions. The biosynthesized silver nanoparticles described here was very stable up to 6 months and can be further exploited as an effective catalyst in the chemical reduction of 4-nitrophenol to 4-aminophenol. The silver nanoparticles were utilized as an efficient surface-enhanced Raman scattering (SERS) active substrate using Rhodamine 6G as Raman probe molecule. We have also carried out systematic comparative studies on the catalytic efficiency of both silver and gold nanoparticles using UV–vis spectra to monitor the above reaction spectrophotometrically. We find that the reaction follows pseudo-first order kinetics and the catalytic activity can be explained by a simple model based on Langmuir–Hinshelwood mechanism for heterogeneous catalysis. We also find that silver nanoparticles are more efficient as a catalyst compare to gold nanoparticles in the reduction of 4-nitrophenol to 4-aminophenol, which can be explained by the morphology of the nanoparticles as determined by transmission electron microscopy.

  15. The effect of radiation-thermal treatment on the physicochemical properties of the Ni-Mo/Al2O3 hydrotreatment catalyst. II. UV-Vis diffuse reflectance spectra of surface compounds after irradiation

    International Nuclear Information System (INIS)

    Solovetskii, Yu.I.; Miroshinichenko, I.I.; Lunin, V.V.

    1993-01-01

    Radiation-thermal damage of the surface and the active metal phases of hydrodesulfurization Ni-Mo/Al 2 O 3 catalysts by a fast electron beam of up to 2.0 MeV energy was studied. UV-Vis diffuse reflectance spectra of the industrial and model coked systems after radiation-thermal treatment were measured. 14 refs., 2 figs

  16. A series of M-M' heterometallic coordination polymers: syntheses, structures and surface photoelectric properties (M=Ni/Co, M'=Cd/Zn)

    International Nuclear Information System (INIS)

    Li, Lei; Niu, Shu-Yun; Jin, Jing; Meng, Qin; Chi, Yu-Xian; Xing, Yong-Heng; Zhang, Guang-Ning

    2011-01-01

    Four new heterometallic polymers, [NiCd(mal) 2 (H 2 O) 2 ]n.2nH 2 O 1, [NiZn 2 (Hcit) 2 (H 2 O) 2 ]n 2, [CoCd 2 (Hcit) 2 (H 2 O) 2 ]n 3, [CoZn 2 (Hcit) 2 (H 2 O) 2 ]n 4 (H 2 mal=malonic acid, H 4 cit=citric acid) were synthesized and characterized. The photoelectric properties of the polymers were discussed by the surface photovoltage spectroscopy (SPS). The structural analyses indicate 1 is a Ni-Cd heterometallic polymer with 3D structure bridged by the mal 2- group. 2-4 are all heterometallic polymers with 2D structures bridged by the Hcit 3- group. The results of SPS for the four polymers reveal that there are wide photovoltage response bands in the range of 300-800 nm, which indicates that they all possess photoelectric conversion properties. By the introduction of the other metals, the SPS of heterometallic polymers are broadened obviously than the SPS of monometallic complexes. Moreover, the relationships between SPS and UV-Vis absorption spectra have been discussed. -- Graphical Abstract: Four heterometallic polymers, Ni-Cd, Ni-Zn, Co-Cd, Co-Zn, were synthesized and characterized. The photoelectric properties of heterometallic polymers were discussed by SPS. The introduction of heterometallic ions will broaden the SPS of corresponded monometallic complexes. Display Omitted Highlights: → Four new heterometallic coordination polymers were reported. → The surface photoelectric properties of heterometallic polymers were studied by SPS. → They all possess photoelectric conversion properties. → The SPS of heterometallic polymers are broadened than that of monometallic complexes.

  17. Reduction of Fermi level pinning and recombination at polycrystalline CdTe surfaces by laser irradiation

    Science.gov (United States)

    Simonds, Brian J.; Kheraj, Vipul; Palekis, Vasilios; Ferekides, Christos; Scarpulla, Michael A.

    2015-06-01

    Laser processing of polycrystalline CdTe is a promising approach that could potentially increase module manufacturing throughput while reducing capital expenditure costs. For these benefits to be realized, the basic effects of laser irradiation on CdTe must be ascertained. In this study, we utilize surface photovoltage spectroscopy (SPS) to investigate the changes to the electronic properties of the surface of polycrystalline CdTe solar cell stacks induced by continuous-wave laser annealing. The experimental data explained within a model consisting of two space charge regions, one at the CdTe/air interface and one at the CdTe/CdS junction, are used to interpret our SPS results. The frequency dependence and phase spectra of the SPS signal are also discussed. To support the SPS findings, low-temperature spectrally-resolved photoluminescence and time-resolved photoluminescence were also measured. The data show that a modest laser treatment of 250 W/cm2 with a dwell time of 20 s is sufficient to reduce the effects of Fermi level pinning at the surface due to surface defects.

  18. Reduction of Fermi level pinning and recombination at polycrystalline CdTe surfaces by laser irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Simonds, Brian J. [Electrical and Computer Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Kheraj, Vipul [Electrical and Computer Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007 (India); Palekis, Vasilios; Ferekides, Christos [Electrical Engineering, University of South Florida, Tampa, Florida 33620 (United States); Scarpulla, Michael A., E-mail: scarpulla@eng.utah.edu [Electrical and Computer Engineering, University of Utah, Salt Lake City, Utah 84112 (United States); Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-06-14

    Laser processing of polycrystalline CdTe is a promising approach that could potentially increase module manufacturing throughput while reducing capital expenditure costs. For these benefits to be realized, the basic effects of laser irradiation on CdTe must be ascertained. In this study, we utilize surface photovoltage spectroscopy (SPS) to investigate the changes to the electronic properties of the surface of polycrystalline CdTe solar cell stacks induced by continuous-wave laser annealing. The experimental data explained within a model consisting of two space charge regions, one at the CdTe/air interface and one at the CdTe/CdS junction, are used to interpret our SPS results. The frequency dependence and phase spectra of the SPS signal are also discussed. To support the SPS findings, low-temperature spectrally-resolved photoluminescence and time-resolved photoluminescence were also measured. The data show that a modest laser treatment of 250 W/cm{sup 2} with a dwell time of 20 s is sufficient to reduce the effects of Fermi level pinning at the surface due to surface defects.

  19. Pattern recognition in spectra

    Science.gov (United States)

    Gebran, M.; Paletou, F.

    2017-06-01

    We present a new automated procedure that simultaneously derives the effective temperature Teff, surface gravity log g, metallicity [Fe/H], and equatorial projected rotational velocity ve sin i for stars. The procedure is inspired by the well-known PCA-based inversion of spectropolarimetric full-Stokes solar data, which was used both for Zeeman and Hanle effects. The efficiency and accuracy of this procedure have been proven for FGK, A, and late type dwarf stars of K and M spectral types. Learning databases are generated from the Elodie stellar spectra library using observed spectra for which fundamental parameters were already evaluated or with synthetic data. The synthetic spectra are calculated using ATLAS9 model atmospheres. This technique helped us to detect many peculiar stars such as Am, Ap, HgMn, SiEuCr and binaries. This fast and efficient technique could be used every time a pattern recognition is needed. One important application is the understanding of the physical properties of planetary surfaces by comparing aboard instrument data to synthetic ones.

  20. Pattern recognition in spectra

    International Nuclear Information System (INIS)

    Gebran, M; Paletou, F

    2017-01-01

    We present a new automated procedure that simultaneously derives the effective temperature T eff , surface gravity log g , metallicity [ Fe/H ], and equatorial projected rotational velocity v e sin i for stars. The procedure is inspired by the well-known PCA-based inversion of spectropolarimetric full-Stokes solar data, which was used both for Zeeman and Hanle effects. The efficiency and accuracy of this procedure have been proven for FGK, A, and late type dwarf stars of K and M spectral types. Learning databases are generated from the Elodie stellar spectra library using observed spectra for which fundamental parameters were already evaluated or with synthetic data. The synthetic spectra are calculated using ATLAS9 model atmospheres. This technique helped us to detect many peculiar stars such as Am, Ap, HgMn, SiEuCr and binaries. This fast and efficient technique could be used every time a pattern recognition is needed. One important application is the understanding of the physical properties of planetary surfaces by comparing aboard instrument data to synthetic ones. (paper)

  1. Scikit-spectra: Explorative Spectroscopy in Python

    Directory of Open Access Journals (Sweden)

    Adam Hughes

    2015-06-01

    Full Text Available Scikit-spectra is an intuitive framework for explorative spectroscopy in Python. Scikit-spectra leverages the Pandas library for powerful data processing to provide datastructures and an API designed for spectroscopy. Utilizing the new IPython Notebook widget system, scikit-spectra is headed towards a GUI when you want it, API when you need it approach to spectral analysis. As an application, analysis is presented of the surface-plasmon resonance shift in a solution of gold nanoparticles induced by proteins binding to the gold’s surface. Please refer to the scikit-spectra website for full documentation and support: http://hugadams.github.io/scikit-spectra/

  2. Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr.

    Science.gov (United States)

    Lin, Sen; Xie, Daiqian; Guo, Hua

    2009-07-02

    We report global potential energy surfaces for both the ground (X(1)A') and the excited (A(1)A'') electronic states of HGeBr as well as the transition dipole moment surface between them using an internally contracted multireference configuration interaction method with the Davidson correction and an augmented correlation-consistent polarized valence quadruple-zeta basis set. Vibrational energy levels of HGeBr and DGeBr are calculated on both the ground and the excited electronic states and found in good agreement with the available experimental band origins. In addition, the A(1)A''-X(1)A' absorption and emission spectra of the two isotopomers were obtained, and an excellent agreement with the available experimental spectra was found.

  3. Enhancement of the photocatalytic activity of TiO2 nanoparticles by surface-capping DBS groups

    International Nuclear Information System (INIS)

    Wang Baiqi; Jing Liqiang; Qu Yichun; Li Shudan; Jiang Baojiang; Yang Libin; Xin Baifu; Fu Honggang

    2006-01-01

    TiO 2 nanoparticles capped with sodium dodecylbenzenesulfonate (DBS) are synthesized by a sol-hydrothermal process using tetrabutyl titanate and DBS as raw materials. The effects of surface-capping DBS on the surface photovoltage spectroscopy (SPS), photoluminescence (PL) and photocatalytic performance of TiO 2 nanoparticles are principally investigated together with their relationships. The results show that the surface of TiO 2 nanoparticles can be well capped by DBS groups while the pH value and added DBS amount are controlled at 5.0 and 2% of TiO 2 mass weight, respectively, and the linkage between DBS groups and TiO 2 surfaces is mainly by means of quasi-sulphonate bond. The intensities of SPS and PL spectra of TiO 2 obviously decrease after DBS-capping, while the activity can greatly increase during the photocatalytic degradation of Rhodamine B (RhB) solution, which are mainly attributed to the electron-withdrawing character of the DBS groups. Moreover, the enhancement of photocatalytic activity of DBS-capped TiO 2 is also related to the increase in the capability for adsorbing RhB

  4. Study on the Multi-level Resistance-Switching Memory and Memory-State-Dependent Photovoltage in Pt/Nd:SrTiO3 Junctions

    Science.gov (United States)

    Wang, Shengkai; Sun, Xianwen; Li, Guanghui; Jia, Caihong; Li, Guoqiang; Zhang, Weifeng

    2018-01-01

    Pt/Nd:SrTiO3 (STO)/In devices were fabricated by depositing Schottky-contact Pt and Ohmic-contact In electrodes on a single crystal STO with Nd doping. The Pt/Nd:STO/In devices show multi-level resistance-switching (RS) memory and memory-state-dependent photovoltage (PV) effects, which can be controlled by the applied pulse width or magnitude. Both the RS and PV are related to the bias-induced modulation of the interface barrier, both in height and width, at the Pt/Nd:STO interface. The results establish a strong connection between the RS/PV effects and the modulation of the Nd:STO interface triggered by applied electric field and provide a new route by using an open-circuit voltage for non-destructively sensing multiple non-volatile memory states.

  5. Comparison of the operation of polymer/fullerene, polymer/polymer, and polymer/nanocrystal solar cells: a transient photocurrent and photovoltage study

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhe; Gao, Feng; Greenham, Neil C.; McNeill, Christopher R. [Cavendish Laboratory, University of Cambridge, J J Thomson Ave, Cambridge, CB3 0HE (United Kingdom)

    2011-04-22

    We utilize transient techniques to directly compare the operation of polymer/fullerene, polymer/nanocrystal, and polymer/polymer bulk heterojunction solar cells. For all devices, poly(3-hexylthiophene) (P3HT) is used as the electron donating polymer, in combination with either the fullerene derivative phenyl-C{sub 61}-butyric acid methyl ester (PCBM) in polymer/fullerene cells, CdSe nanoparticles in polymer/nanocrystal cells, or the polyfluorene copolymer poly((9,9-dioctylfluorene)-2,7-diyl-alt-[4,7-bis(3-hexylthien-5-yl)-2,1,3-benzothiadiazole]-2,2-diyl) (F8TBT) in polymer/polymer cells. Transient photocurrent and photovoltage measurements are used to probe the dynamics of charge-separated carriers, with vastly different dynamic behavior observed for polymer/fullerene, polymer/polymer, and polymer/nanocrystal devices on the microsecond to millisecond timescale. Furthermore, by employing transient photocurrent analysis with different applied voltages we are also able to probe the dynamics behavior of these cells from short circuit to open circuit. P3HT/F8TBT and P3HT/CdSe devices are characterized by poor charge extraction of the long-lived carriers attributed to charge trapping. P3HT/PCBM devices, in contrast, show relatively trap-free operation with the variation in the photocurrent decay kinetics with applied bias at low intensity, consistent with the drift of free charges under a uniform electric field. Under solar conditions at the maximum power point, we see direct evidence of bimolecular recombination in the P3HT/PCBM device competing with charge extraction. Transient photovoltage measurements reveal that, at open circuit, photogenerated charges have similar lifetimes in all device types, and hence, the extraction of these long-lived charges is a limiting process in polymer/nanocrystal and polymer/polymer devices. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Spectra of Velocity components over Complex Terrain

    DEFF Research Database (Denmark)

    Panofsky, H. A.; Larko, D.; Lipschut, R.

    1982-01-01

    Spectra have been measured over a variety of types of complex terrain: on tops of hills and escarpments, over land downstream of a water surface, and over rolling terrain. Differences between spectra over many types of complex terrain, and over uniform terrain, can be explained by these hypothese...

  7. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces.

    Science.gov (United States)

    Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

    2018-03-14

    Full-dimensional vibrational spectra are calculated for both X - (H 2 O) and X - (D 2 O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

  8. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces

    Science.gov (United States)

    Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

    2018-03-01

    Full-dimensional vibrational spectra are calculated for both X-(H2O) and X-(D2O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

  9. Terrestrial analogs for interpretation of infrared spectra from the Martian surface and subsurface: Sulfate, nitrate, carbonate, and phyllosilicate-bearing Atacama Desert soils

    Science.gov (United States)

    Sutter, B.; Dalton, J. B.; Ewing, S. A.; Amundson, R.; McKay, C. P.

    2007-10-01

    Hyperarid (Mars soils have similar sulfate concentrations; possess phyllosilicates (e.g., smectite) and minor carbonate. Nitrate has not been detected on Mars, but its presence has been proposed. The similar compositions of Atacama and Mars soils have prompted the visible-infrared (0.35-25 μm) investigation of Atacama soils as Mars analogs. Results from this work determined the best infrared features for detecting sulfate, nitrate, carbonate, and phyllosilicate on Mars. The fundamental region (>6.5 μm) was not suited for salt and phyllosilicate detection because of overlapping spectra from primary silicates (e.g., feldspar), water and carbon dioxide. The visible near-infrared (0.35-2.5 μm) region was suited for detecting carbonate, nitrate, gypsum water of hydration, and phyllosilicate hydroxyls without interference from primary silicates. However, gypsum water of hydration features can obscure phyllosilicate hydroxyl, carbonate and nitrate, features if gypsum levels are high. Overtone/combination absorption features in the midinfrared were determined to be the best indicators of sulfate (4.48-4.70 μm), nitrate (4.12 μm), and carbonate (3.98 μm) because interferences from overlapping primary silicate and water features are not present in this region. Interferences from CO2 and thermal emission effects in the overtone/combination region are possible but may be minimized by corrective techniques. Infrared analysis of Atacama Desert soils can provide insight into the spectral search of sulfate, nitrate, carbonate, and phyllosilicate containing soils on Mars.

  10. New ab initio potential energy surfaces for both the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiCl.

    Science.gov (United States)

    Lin, Sen; Xie, Daiqian

    2011-06-01

    New ab initio potential energy surfaces for the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multi-reference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. For the excited state Ã1A″, an extended active space (18 electrons in 12 orbitals) was used. The calculated vibrational energy levels of HSiCl and DSiCl of the ground and excited electronic states are in better agreement with the available experimental values than the previous theoretical results. In addition, with the calculated transition dipole moment, the absorption and emission spectra of HSiCl and DSiCl were calculated using an efficient single Lanczos propagation method and are in reasonable agreement with the available observed spectra. Copyright © 2011 Wiley Periodicals, Inc.

  11. Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra.

    Science.gov (United States)

    Soto, C A Téllez; Ramos, J M; Costa Junior, A C; Vieira, Laís S; Rangel, João L; Raniero, L; Fávero, Priscila P; Lemma, Tibebe; Ondar, Grisset F; Versiane, Otavio; Martin, A A

    2013-10-01

    Surface enhancement Raman scattering (SERS) of two tautomer of thiobarbituric acid was obtained using silver and gold nanoparticles. Large band enhancement in the region of the ν(C=S), ν(C=C), δ(CH2), and δ(CNH) vibrational modes was found. Natural bond analysis of the tautomer species revealed expressive values of charge transfer, principally from lone pair electron orbitals of the S, N, and O atoms. Complete vibrational assignment was done for the two tautomers using the B3LYP/6-311+G (d, p) procedure, band deconvolution analysis, and from a rigorous interpretation of the normal modes matrix. The calculated spectra agree well with the experimental ones. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Ab Initio Potential Energy Surfaces for Both the Ground (X̃1A′ and Excited (A∼1A′′ Electronic States of HSiBr and the Absorption and Emission Spectra of HSiBr/DSiBr

    Directory of Open Access Journals (Sweden)

    Anyang Li

    2012-01-01

    Full Text Available Ab initio potential energy surfaces for the ground (X̃1A′ and excited (A˜A′′1 electronic states of HSiBr were obtained by using the single and double excitation coupled-cluster theory with a noniterative perturbation treatment of triple excitations and the multireference configuration interaction with Davidson correction, respectively, employing an augmented correlation-consistent polarized valence quadruple zeta basis set. The calculated vibrational energy levels of HSiBr and DSiBr of the ground and excited electronic states are in excellent agreement with the available experimental band origins. In addition, the absorption and emission spectra of HSiBr and DSiBr were calculated using an efficient single Lanczos propagation method and are in good agreement with the available experimental observations.

  13. Infrared Spectroscopic Analyses of Sulfate, Nitrate, and Carbonate-bearing Atacama Desert Soils: Analogs for the Interpretation of Infrared Spectra from the Martian Surface

    Science.gov (United States)

    Dalton, J. B.; Dalton, J. B.; Ewing, S. A.; Amundson, R.; McKay, C. P.

    2005-01-01

    The Atacama Desert of northern Chile is the driest desert on Earth, receiving only a few mm of rain per decade. The Mars climate may, in the past, have been punctuated by short-lived episodes of aqueous activity. The paleo-Martian environment may have had aqueous conditions similar to the current conditions that exist in the Atacama, and Mars soils may have formed with soil chemistry and mineralogy similar to those found in the Atacama. Remote and in-situ analysis of the Martian surface using infrared technology has a long heritage. Future investigations of the subsurface mineralogy are likely to build upon this heritage, and will benefit from real life lessons to be learned from terrestrial analog studies. To that end, preliminary results from a near- and mid-infrared spectroscopic study of Atacama soil profiled at a range of depths are presented.

  14. Excimer emission properties on pyrene-labeled protein surface: correlation between emission spectra, ring stacking modes, and flexibilities of pyrene probes.

    Science.gov (United States)

    Fujii, Akira; Sekiguchi, Yutaka; Matsumura, Hiroyoshi; Inoue, Tsuyoshi; Chung, Wen-Sheng; Hirota, Shun; Matsuo, Takashi

    2015-03-18

    The excimer emission of pyrene is popularly employed for investigating the association between pyrene-labeled biomolecules or between pyrene-labeled places in a biomolecule. The property of pyrene excimer emission is affected by the fluctuation in ring stacking modes, which originates from the structural flexibilities of pyrene probes and/or of labeled places. Investigations of the excimer emission in terms of dynamics of pyrene stacking modes provide the detailed spatial information between pyrene-labeled places. In order to evaluate the effects of probe structures and fluctuation in pyrene-pyrene association modes on their emission properties on protein surface, three types of pyrene probe with different linker lengths were synthesized and conjugated to two cysteine residues in the A55C/C77S/V169C mutant of adenylate kinase (Adk), an enzyme that shows a structural transition between OPEN and CLOSED forms. In the CLOSED form of Adk labeled by a pyrene probe with a short linker, excimer emission was found to be predominated by the ground-state association of pyrenes. The pyrene stacking structure on the protein surface was successfully determined by an X-ray crystallographic analysis. However, the emission decay in the protein suggested the existence of several stacking orientations in solution. With the increase in the linker length, the effect of fluctuation in pyrene association modes on the spectral properties distinctly emerged at both ground and excited states. The combination of steady-state and time-resolved spectroscopic analyses is useful for differentiation in the origin of the excimer emission, which is essential for precisely understanding the interaction fashions between pyrene-labeled biomolecules.

  15. Spectra of Graphs

    NARCIS (Netherlands)

    Brouwer, A.E.; Haemers, W.H.

    2012-01-01

    This book gives an elementary treatment of the basic material about graph spectra, both for ordinary, and Laplace and Seidel spectra. The text progresses systematically, by covering standard topics before presenting some new material on trees, strongly regular graphs, two-graphs, association

  16. Spectra of alkali atoms

    International Nuclear Information System (INIS)

    Santoso, Budi; Arumbinang, Haryono.

    1981-01-01

    Emission spectra of alkali atoms has been determined by using spectrometer at the ultraviolet to infra red waves range. The spectra emission can be obtained by absorption spectrophotometric analysis. Comparative evaluations between experimental data and data handbook obtained by spark method were also presented. (author tr.)

  17. Synthesis, spectra and X-ray crystallography of dipyridin-2-ylmethanone oxime and its CuX2(oxime)2 complexes: Thermal, Hirshfeld surface and DFT analysis

    Science.gov (United States)

    Warad, Ismail; Abdoh, Muneer; Al Ali, Anas; Shivalingegowda, Naveen; Kumara, Karthik; Zarrouk, Abdelkader; Lokanath, Neartur Krishnappagowda

    2018-02-01

    Dipyridin-2-ylmethanone oxime (C11H9N3O), was prepared using di-2-pyridyl ketone. The oxime ligand and its neutral CuX2 (oxime)2 (X = Cl or Br) complexes have been identified with the aid of several spectroscopic techniques such as: IR, EI-MS, EA, UV-visible, TG, 1H-NMR and finally the structure of the free oxime ligand was confirmed by X-ray diffraction studies. The oxime crystallizes in the monoclinic space group P21/c, with cell parameters a = 8.8811 (8) Å, b = 10.6362 (8) Å, c = 11.2050 (8) Å, β = 109.085 (4) º, V = 1000.26 (14) Å3 and Z = 4. The molecular conformation is stabilized by a strong intramolecular Osbnd H⋯N hydrogen bonding between the hydroxyl group of the oxime moiety and the nitrogen of the pyridine ring. Since the oxime structure was solved by XRD, the ligand structure parameters like bond length and angles were compared to the DFT computed one, the UV-visible to TD-SCF and Hirshfeld surface to MEP analysis.

  18. Experimental study of angular neutron flux spectra on a slab surface to assess nuclear data and calculational methods for a fusion reactor design

    International Nuclear Information System (INIS)

    Oyama, Yukio

    1988-06-01

    This paper presents an experimental approach to interpret the results of integral experiments for fusion neutronics research. The measurement is described of the angular neutron flux on a restricted area of slab assemblies with D-T neutron bombardment by using the time-of-flight (TOF) method with an NE213 neutron detector over an energy range from 0.05 to 15 MeV. A two bias scheme was developed to obtain an accurate detection efficiency over a wide energy range. The detector-collimator response function was introduced to define the restricted surface area and to determine the effective measured area. A series of measurements of the angular neutron flux on slabs of fusion blanket materials, i.e., Be, C, and Li 2 O, as functions of neutron leaking angle and slab thickness have been performed to examine neutron transport characteristics in bulk materials. The calculational analyses of the experimental results have been also carried out by using Monte Carlo neutron transport codes, i.e., MORSE-DD and MCNP. The existing nuclear data files, i.e., JENDL-3PR1, -3PR2, ENDF/B-IV and -V were tested by comparing with the experimental results. From the comparisons, the data on C and 7 Li in the present files are fairly sufficient. Those on beryllium, however, is insufficient for the estimation of high threshold reactions such as tritium production in a fusion reactor blanket design. It is also found that the total and elastic cross sections are more important for accurate predictions of neutronic parameters at deep position. The comparisons between the measured and calculated results provide information to understand the results of the previous integral experiments for confirmation of accuracy of fusion reactor designs. (author)

  19. Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H2O+-Ne open-shell ionic complex

    Science.gov (United States)

    Dopfer, Otto; Roth, Doris; Maier, John P.

    2001-04-01

    The intermolecular potential of the H2O+-Ne open-shell ionic dimer in its doublet electronic ground state has been investigated by infrared spectroscopy in the vicinity of the O-H stretch vibrations (ν1 and ν3) and ab initio calculations at the unrestricted Møller-Plesset second-order (MP2) level with a basis set of aug-cc-pVTZ quality. The rovibrational structure of the photodissociation spectrum is consistent with a proton-bound planar H-O-H-Ne structure and a Ne-H separation of R0=1.815(5) Å. The complexation-induced redshifts are Δν1=-69 cm-1 and Δν3=-6 cm-1, respectively. Tunneling splittings observed in the perpendicular component of the ν3 hybrid band of H2O+-Ne are attributed to hindered internal rotation between the two equivalent proton-bound equilibrium structures. The interpretation of the H2O+-Ne spectrum is supported by the spectrum of the monodeuterated species, for which both the proton-bound and the deuteron-bound isomers are observed (DOH+-Ne, HOD+-Ne). The equilibrium structure of the calculated potential energy surface of H2O+-Ne has a slightly translinear proton bond, which is characterized by a Ne-H separation of Re=1.77 Å, a bond angle of φe=174°, and dissociation energies of De=756 cm-1 and D0=476 cm-1. According to the calculated potential, the exchange tunneling between the two equivalent minima occurs via the planar bridged transition state with C2v symmetry and a barrier of 340 cm-1. In general, the calculated properties of H2O+-Ne show good agreement with the experimental data. Initial steps in the microsolvation of the water cation in neon are discussed by comparing the calculated and experimental properties of H2O+-Nen (n=0-2) with neon matrix isolation data (n→∞).

  20. Metal-metal bonding and structures of metal string complexes Cr3(dpa)4Cl2, Cr3(dpa)4(NCS)2, and [Cr3(dpa)4Cl2](PF6) from IR, Raman, and surface-enhanced Raman spectra.

    Science.gov (United States)

    Hsiao, Chung-Jen; Lai, Szu-Hsueh; Chen, I-Chia; Wang, Wen-Zhen; Peng, Shie-Ming

    2008-12-25

    We recorded infrared, Raman, and surface-enhanced Raman scattering (SERS) spectra of metal-string complexes Cr(3)(dpa)(4)X(2) (dpa = di(2-pyridyl)amido, X = Cl, NCS) and [Cr(3)(dpa)(4)Cl(2)](PF(6)) and dipyridylamine (Hdpa) to determine their vibrational frequencies and to study their structures. For the SERS measurements these complexes were adsorbed on silver nanoparticles in aqueous solution to eliminate the constraints of a crystal lattice. From the results of analysis of the vibrational normal modes we assign the infrared band at 346 cm(-1) to the Cr(3) asymmetric stretching vibration of the symmetric form and the Raman line at 570 cm(-1) to the Cr-Cr stretching mode for the unsymmetric form of Cr(3)(dpa)(4)Cl(2). Complex Cr(3)(dpa)(4)Cl(2) exhibits both symmetric (s-) and unsymmetric (u-) forms in solution but Cr(3)(dpa)(4)(NCS)(2) only the s-form. The structures for both complexes in their ground states have the s-form. The oxidized complex [Cr(3)(dpa)(4)Cl(2)](PF(6)) has only a u-form for which the Cr-Cr stretching mode is assigned to the band at 570 cm(-1). From the variation with temperature from 23 to 60 degrees C of the intensity of this line, we obtained the proportion of the u-form Cr(3)(dpa)(4)Cl(2); the enthalpy change is thus obtained to be DeltaH = 46.2 +/- 3.3 kJ mol(-1) and the entropy change is DeltaS = 138 +/- 10.3 J K(-1) mol(-1) for the reaction u-Cr(3)(dpa)(4)Cl(2) s-Cr(3)(dpa)(4)Cl(2). From the spectral intensities and band frequencies in SERS spectra, Hdpa is expected to adsorb on a silver nanoparticle with the amido nitrogen and pyridyl rings tilted from the silver surface, whereas the trichromium complex with the chromium ion line is orthogonal to the silver surface normal in aqueous silver solution.

  1. Construction of a 2D Co(II) Coordination Polymer with (4,4)-Connected Topology: Synthesis, Crystal Structure, and Surface Photo-electric Property

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jiaming [Qinzhou Univ., Qinzhou (China)

    2014-04-15

    A 2D grid-like (4, 4)-connected topology coordination polymer, [Co(BTA){sub 2}(H{sub 2}O){sub 2}]{sub n}, where HBTA = 2-(1H-benzotriazol-1-yl)acetic acid, has been synthesized by hydrothermal method and characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and surface photovoltage spectroscopy (SPS). X-ray diffraction analyses indicated that displays octahedral metal centers with secondary building units (SBUs) [Co(BTA){sub 2}(H{sub 2}O){sub 2}] bridged by the BTA. ligands. In the crystal, the 2D supramolecular architecture is further supported by O-H···O, O-H···N, C-H···O hydrogen bonds and π··π stacking interactions. The SPS of polymer 1 indicates that there are positive response bands in the range of 300.600 nm showing photo-electric conversion properties. There are good relationships between SPS and UV-Vis spectra.

  2. Spectral sensitization of TiO2 by new hemicyanine dyes in dye solar cell yielding enhanced photovoltage: Probing chain length effect on performance

    International Nuclear Information System (INIS)

    Fadadu, Kishan B.; Soni, Saurabh S.

    2013-01-01

    Graphical abstract: New hemicyanine dyes based on indolenine moiety were utilized as light harvesting materials in dye sensitized solar cell. Chain lengths of the molecules were varied in order to study its effect of chain length on the performance of DSSC. Electron transfer kinetic of the solar cell was studied and it was found that the chain length changes the electron transfer kinetic. We have achieved remarkable photovoltage and overall performance of DSSC. Highlights: ► New hemicyanine dyes based on indolenine moiety were utilized as light harvesting materials in dye sensitized solar cell. ► Chain lengths of the molecules were varied in order to study its effect of chain length on the performance of DSSC. ► Electron transfer kinetic of the solar cell was studied and it was found that the chain length changes the electron transfer kinetic. -- Abstract: New hemicyanine dyes having indole nucleus with different alkyl chain length were synthesized and characterized using 1 H NMR and mass spectroscopy. These dyes were used to sensitize the TiO 2 film in dye sensitized solar cell. Nanocrystalline dye solar cells were fabricated and characterized using various electrochemical techniques. It has been found that the alkyl chain length present in the dye molecules greatly affects the overall performance of dye solar cell. Molecules having longer alkyl chain are having better sensitizers which enhance V oc to significant extent. Chain length dependent performance was further investigated using Tafel polarization and impedance method. Hemicyanine dye having hexyl chain has outperformed by attaining 2.9% solar to electricity conversion efficiency

  3. SAWYER ASTEROID SPECTRA

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains 94 optical asteroid spectra obtained by Scott Sawyer as part of his Ph.D. dissertation at the University of Texas at Austin. Observational...

  4. Surface-enhanced Raman spectra on graphene

    Czech Academy of Sciences Publication Activity Database

    Ek Weis, Johan; Vejpravová, Jana; Verhagen, Timotheus; Melníková Komínková, Zuzana; da Costa, Sara; Kalbáč, Martin

    2018-01-01

    Roč. 49, č. 1 (2018), s. 168-173 ISSN 0377-0486 R&D Projects: GA MŠk LL1301; GA ČR(CZ) GA15-01953S; GA MŠk(CZ) LM2015073 Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : charge transfer * graphene * graphene-plasmon interaction Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.969, year: 2016

  5. Surface-enhanced Raman spectra on graphene

    Czech Academy of Sciences Publication Activity Database

    Ek Weis, Johan; Vejpravová, Jana; Verhagen, Timotheus; Melníková Komínková, Zuzana; da Costa, Sara; Kalbáč, Martin

    2018-01-01

    Roč. 49, č. 1 (2018), s. 168-173 ISSN 0377-0486 R&D Projects: GA MŠk LL1301; GA ČR(CZ) GA15-01953S; GA MŠk(CZ) LM2015073 Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : charge transfer * graphene * graphene -plasmon interaction Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.969, year: 2016

  6. Solar Energetic Particle Spectra

    Science.gov (United States)

    Ryan, J. M.; Boezio, M.; Bravar, U.; Bruno, A.; Christian, E. R.; de Nolfo, G. A.; Martucci, M.; Mergè, M.; Munini, R.; Ricci, M.; Sparvoli, R.; Stochaj, S.

    2017-12-01

    We report updated event-integrated spectra from several SEP events measured with PAMELA. The measurements were made from 2006 to 2014 in the energy range starting at 80 MeV and extending well above the neutron monitor threshold. The PAMELA instrument is in a high inclination, low Earth orbit and has access to SEPs when at high latitudes. Spectra have been assembled from these high-latitude measurements. The field of view of PAMELA is small and during the high-latitude passes it scans a wide range of asymptotic directions as the spacecraft orbits. Correcting for data gaps, solid angle effects and improved background corrections, we have compiled event-integrated intensity spectra for twenty-eight SEP events. Where statistics permit, the spectra exhibit power law shapes in energy with a high-energy exponential roll over. The events analyzed include two genuine ground level enhancements (GLE). In those cases the roll-over energy lies above the neutron monitor threshold ( 1 GV) while the others are lower. We see no qualitative difference between the spectra of GLE vs. non-GLE events, i.e., all roll over in an exponential fashion with rapidly decreasing intensity at high energies.

  7. Artificial intelligence analysis of paraspinal power spectra.

    Science.gov (United States)

    Oliver, C W; Atsma, W J

    1996-10-01

    OBJECTIVE: As an aid to discrimination of sufferers with back pain an artificial intelligence neural network was constructed to differentiate paraspinal power spectra. DESIGN: Clinical investigation using surface electromyography. METHOD: The surface electromyogram power spectra from 60 subjects, 33 non-back-pain sufferers and 27 chronic back pain sufferers were used to construct a back propagation neural network that was then tested. Subjects were placed on a test frame in 30 degrees of lumbar forward flexion. An isometric load of two-thirds maximum voluntary contraction was held constant for 30 s whilst surface electromyograms were recorded at the level of the L(4-5). Paraspinal power spectra were calculated and loaded into the input layer of a three-layer back propagation network. The neural network classified the spectra into normal or back pain type. RESULTS: The back propagation neural was shown to have satisfactory convergence with a specificity of 79% and a sensitivity of 80%. CONCLUSIONS: Artificial intelligence neural networks appear to be a useful method of differentiating paraspinal power spectra in back-pain sufferers.

  8. Good abundances from bad spectra - I. Techniques

    Science.gov (United States)

    Jones, J. Bryn; Gilmore, Gerard; Wyse, Rosemary F. G.

    1996-01-01

    Stellar spectra derived from multiple-object fibre-fed spectroscopic radial-velocity surveys, of the type feasible with, among other examples, AUTOFIB, 2dF, HYDRA, NESSIE, and the Sloan survey, differ significantly from those traditionally used for determination of stellar abundances. The spectra tend to be of moderate resolution (around 1A) and signal-to-noise ratio (around 10-20 per resolution element), and cannot usually have reliable continuum shapes determined over wavelength ranges in excess of a few tens of Angstroms. None the less, with care and a calibration of stellar effective temperature from photometry, independent of the spectroscopy, reliable iron abundances can be derived. We have developed techniques to extract true iron abundances and surface gravities from low-signal-to-noise ratio, intermediate-resolution spectra of G-type stars in the 4000-5000A wavelength region. Spectroscopic indices sensitive to iron abundance and gravity are defined from a set of narrow (few-several A wide) wavelength intervals. The indices are calibrated theoretically using synthetic spectra. Given adequate data and a photometrically determined effective temperature, one can derive estimates of the stellar iron abundance and surface gravity. We have also defined a single abundance indicator for the analysis of very low-signal-to-noise ratio spectra; with the further assumption of a value for the stellar surface gravity, this is able to provide useful iron abundance information from spectra having signal-to-noise ratios as low as 10 (1-A elements). The theoretical basis and calibration using synthetic spectra are described in this paper. The empirical calibration of these techniques by application to observational data is described in a separate paper (Jones, Wyse & Gilmore). The technique provides precise iron abundances, with zero-point correct to ~0.1 dex, and is reliable, with typical uncertainties being <~0.2 dex. A derivation of the in situ thick disc metallicity

  9. Parameterization of rotational spectra

    International Nuclear Information System (INIS)

    Zhou Chunmei; Liu Tong

    1992-01-01

    The rotational spectra of the strongly deformed nuclei with low rotational frequencies and weak band mixture are analyzed. The strongly deformed nuclei are commonly encountered in the rare-earth region (e. g., 150 220). A lot of rotational band knowledge are presented

  10. Atomic Spectra Database (ASD)

    Science.gov (United States)

    SRD 78 NIST Atomic Spectra Database (ASD) (Web, free access)   This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date. The NIST Atomic Spectroscopy Data Center has carried out these critical compilations.

  11. Improving interpretation of infrared spectra for OM characterization by subtraction of spectra from incinerated samples

    Science.gov (United States)

    Ellerbrock, Ruth H.; Gerke, Horst H.; Leue, Martin

    2017-04-01

    Non-destructive methods such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFT) have been applied to characterize organic matter (OM) at intact structural surfaces among others. However, it is often difficult to distinguish effects of organic components on DRIFT signal intensities from those of mineral components. The objective of this study was to re-evaluate DRIFT spectra from intact earthworm burrow walls and coated cracks to improve the interpretation of C-H and C=O bands. We compared DRIFT and transmission Fourier transform infrared (FTIR) spectra of entire samples that were from the same pedogenetic soil horizon, but different in mineral composition and texture (i.e., glacial till versus loess). Spectra of incinerated samples were subtracted from the original spectra. Transmission FTIR and DRIFT spectra were almost identical for entire soil samples. However, the DRIFT spectra were affected by the bulk mode bands (i.e., wavenumbers 2000 to 1700 cm-1) that affected spectral resolution and reproducibility. The ratios between C-H and C=O band intensities as indicator for OM quality obtained with DRIFT were smaller than those obtained from transmission FTIR. A spectral subtraction procedure was found to reduce effects of mineral absorption bands on DRIFT spectra allowing an improved interpretation. DRIFT spectroscopy as a non-destructive method for analyzing OM composition at intact surfaces in structured soils could be calibrated with information obtained with the more detailed transmission FTIR and complementary methods.

  12. Electron spectra obtained by photon bombadment

    International Nuclear Information System (INIS)

    Tran Minh Duc

    1981-01-01

    The physical factors modifying the kinetic energy of electrons emitted from a surface by photon irradiation are discussed, mamely: photoemission excitation mechanism and Auger emission, effects of the neutral initial state, of chemical displacements, of ionized final state, of relaxation energy. Spectra structure, spin multiplets energy loss peaks are also explained [fr

  13. X-ray absorption spectra and emission spectra of plasmas

    International Nuclear Information System (INIS)

    Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

    2002-01-01

    The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

  14. Thermoluminescence spectra of amethyst

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Q. [Suzhou Railway Teachers College (China). Dept. of Physics; Yang, B. [Beijing Normal University (China). Dept. of Physics; Wood, R.A.; White, D.R.R.; Townsend, P.D.; Luff, B.J. [Sussex Univ., Brighton (United Kingdom). School of Mathematical and Physical Sciences

    1994-04-01

    Thermoluminescence and cathodoluminescence data from natural and synthetic amethyst and synthetic quartz samples are compared. The spectra include features from the quartz host lattice and from impurity-generated recombination sites. Emission features exist throughout the wavelength range studied, 250-800 nm. The near infrared emission at 740-750 nm appears to be characteristic of the amethyst and is proposed to be due to Fe ion impurity. (Author).

  15. Geal: A general program for the analysis of alpha spectra

    International Nuclear Information System (INIS)

    Garcia-Torano, E.; Acena Barrenechea, M.L.

    1978-01-01

    A computing program for analysis and representation of alpha spectra obtained with surface barrier detectors is described. Several methods for fitting spectra are studied. A monoenergetic line or a doublet previously fitted has been used as a standard for the analyses of all kind of spectra. Some examples of application as well as a list of the program are shown. The program has been written in Fortran V language. (author)

  16. Estimating Spectra from Photometry

    Science.gov (United States)

    Kalmbach, J. Bryce; Connolly, Andrew J.

    2017-12-01

    Measuring the physical properties of galaxies such as redshift frequently requires the use of spectral energy distributions (SEDs). SED template sets are, however, often small in number and cover limited portions of photometric color space. Here we present a new method to estimate SEDs as a function of color from a small training set of template SEDs. We first cover the mathematical background behind the technique before demonstrating our ability to reconstruct spectra based upon colors and then compare our results to other common interpolation and extrapolation methods. When the photometric filters and spectra overlap, we show that the error in the estimated spectra is reduced by more than 65% compared to the more commonly used techniques. We also show an expansion of the method to wavelengths beyond the range of the photometric filters. Finally, we demonstrate the usefulness of our technique by generating 50 additional SED templates from an original set of 10 and by applying the new set to photometric redshift estimation. We are able to reduce the photometric redshifts standard deviation by at least 22.0% and the outlier rejected bias by over 86.2% compared to original set for z ≤ 3.

  17. Rydberg and π-π* transitions in film surfaces of various kinds of nylons studied by attenuated total reflection far-ultraviolet spectroscopy and quantum chemical calculations: peak shifts in the spectra and their relation to nylon structure and hydrogen bondings.

    Science.gov (United States)

    Morisawa, Yusuke; Yasunaga, Manaka; Sato, Harumi; Fukuda, Ryoichi; Ehara, Masahiro; Ozaki, Yukihiro

    2014-10-09

    Attenuated total reflection far-ultraviolet (ATR-FUV) spectra in the 145-260 nm region were measured for surfaces (thickness 50-200 nm) of various kinds of nylons in cast films to explore their electronic transitions in the FUV region. ATR-FUV spectra show two major bands near 150 and 200 nm in the surface condensed phase of nylons. Transmittance (Tr) spectra were also observed in particular for the analysis of valence excitations. Time-dependent density functional theory (TD-DFT/CAM-B3LYP) calculations were carried out using the model systems to provide the definitive assignments of their absorption spectra and to elucidate their peak shifts in several nylons, in particular, focusing on their crystal alignment structures and intermolecular hydrogen bondings. Two major bands of nylon films near 150 and 200 nm are characterized as σ-Rydberg 3p and π-π* transitions of nylons, respectively. These assignments are also coherent with those of liquid n-alkanes (n = 5-14) and liquid amides observed previously. The Rydberg transitions are delocalized over the hydrocarbon chains, while the π-π* transitions are relatively localized at the amide group. Differences in the peak positions and intensity were found in both ATR- and Tr-FUV spectra for different nylons. A red-shift of the π-π* amide band in the FUV spectra of nylon-6 and nylon-6/6 models in α-form is attributed to the crystal structure pattern and the intermolecular hydrogen bondings, which result in the different delocalization character of the π-π* transitions and transition dipole coupling.

  18. Deconvolution of Positrons' Lifetime spectra

    International Nuclear Information System (INIS)

    Calderin Hidalgo, L.; Ortega Villafuerte, Y.

    1996-01-01

    In this paper, we explain the iterative method previously develop for the deconvolution of Doppler broadening spectra using the mathematical optimization theory. Also, we start the adaptation and application of this method to the deconvolution of positrons' lifetime annihilation spectra

  19. Nuclear Spectra from Skyrmions

    International Nuclear Information System (INIS)

    Manton, N.

    2009-01-01

    For some time now, the Skyrme model has been studied as an effective nonlinear field theory in nuclear physics. Its classical, stable soliton solutions, called Skyrmions, have a conserved topological charge which is identified with baryon number. A quantized Skyrmion models a nucleus. Skyrmions with baryon number a multiple of four are structurally similar to the cluster structures well-known in the a-particle model. The most convenient quantization scheme treats a Skyrmion as a rigid body in space and isospin space, and quantizes just the collective rotational motion. Some selected vibrational modes of Skyrmions may be included too. This approach has been applied previously to Skyrmions up to baryon number about 6, by Braaten and Carson, Kopeliovich, Walhout, and others. Recently, Battye, Manton, Sutcliffe and Wood have calculated the moment of inertia tensors in space and isospace for Skyrmions up to baryon number 12. The allowed spin and isospin states have been found, and the energy spectra calculated. These spectra agree quite well with experimental spectra of several light nuclei, including 6 L i, 8 B e, 1 2C , and their various isotopes. However, for this to work, the length scale needs to be set rather larger than the traditional value determined by Adkins and Nappi using the nucleon and delta resonance masses. The most interesting theoretical feature of these calculations is that isospin and spin excitations are treated in a uniform way. There are quite subtle constraints on the possible spin and isospin values, because of the classical symmetries of each Skyrmion. Manton and his students, and Battye and Sutcliffe, have published a number of papers on classical and quantized Skyrmions in journals and on the arXiv. They are also jointly contributing an invited chapter on Skyrmions and Nuclei to the book The Multifaceted Skyrmion, currently being edited by G. Brown and M. Rho.(author)

  20. Seizmic response spectra

    Directory of Open Access Journals (Sweden)

    Igor Leššo

    2005-12-01

    Full Text Available A computation of 1D and 3D seismic motion parameters was made and the influence of input parameters on these parameters were analysed. A modelling was realised on the examples of sedimentary structures geotechnical models. This comparison provides different spectral and frequencial values and spectral accelerations. The differences in seismic response spectra are influenced not only by properties of geological structures but also by the methodics of the soil structure interaction modeling and input time history spectral composition. However, the influence of geotechnical properties of geological structures on the output results are apparent. The modelling results of different input time history spectral composition, the Ricker impuls and the Gabor function were compared. In the area of cement factory in Rohožník, the new rotary kiln furnance is planned to be build. In the sense of STN 73 0036 the expert seismic judgment has been claimed. The standard and local seismic response spectra is computed for the place where the rotary kiln will be situated. The application of the local spectral acceleration in seismic load computations enables to save costs in comparing with the standard acceleration.

  1. Principal spectra describing magnetooptic permittivity tensor in cubic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hamrlová, Jana [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Legut, Dominik [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Veis, Martin [Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Pištora, Jaromír [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Hamrle, Jaroslav, E-mail: jaroslav.hamrle@vsb.cz [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Department of Physics, VSB – Technical University of Ostrava, 17. listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic)

    2016-12-15

    We provide unified phenomenological description of magnetooptic effects being linear and quadratic in magnetization. The description is based on few principal spectra, describing elements of permittivity tensor up to the second order in magnetization. Each permittivity tensor element for any magnetization direction and any sample surface orientation is simply determined by weighted summation of the principal spectra, where weights are given by crystallographic and magnetization orientations. The number of principal spectra depends on the symmetry of the crystal. In cubic crystals owning point symmetry we need only four principal spectra. Here, the principal spectra are expressed by ab initio calculations for bcc Fe, fcc Co and fcc Ni in optical range as well as in hard and soft x-ray energy range, i.e. at the 2p- and 3p-edges. We also express principal spectra analytically using modified Kubo formula.

  2. Continuum Fitting HST QSO Spectra

    Science.gov (United States)

    Tytler, David; Oliversen, Ronald J. (Technical Monitor)

    2002-01-01

    The Principal Component Analysis (PCA) method which we are using to fit and describe QSO spectra relies upon the fact that QSO continuum are generally very smooth and simple except for emission and absorption lines. To see this we need high signal-to-noise (S/N) spectra of QSOs at low redshift which have relatively few absorption lines in the Lyman-a forest. We need a large number of such spectra to use as the basis set for the PCA analysis which will find the set of principal component spectra which describe the QSO family as a whole. We have found that too few HST spectra have the required S/N and hence we need to supplement them with ground based spectra of QSOs at higher redshift. We have many such spectra and we have been working to make them suitable for this analysis. We have concentrated on this topic since 12/15/01.

  3. Surface passivation and carrier selectivity of the thermal-atomic-layer-deposited TiO2 on crystalline silicon

    DEFF Research Database (Denmark)

    Plakhotnyuk, Maksym; Schüler, Nadine; Shkondin, Evgeniy

    2017-01-01

    Here, we demonstrate the use of an ultrathin TiO2 film as a passivating carrier-selective contact for silicon photovoltaics. The effective lifetime, surface recombination velocity, and diode quality dependence on TiO2 deposition temperature with and without a thin tunneling oxide interlayer (SiO2...... heterojunction with optimized photovoltage, interface quality, and electron extraction to maximize the photovoltage of TiO2–Si heterojunction photovoltaic cells are formulated. Diode behaviour was analysed with the help of experimental, analytical, and simulation methods. It is predicted that TiO2 with a high...... carrier concentration is a preferable candidate for high-performance solar cells. The possible reasons for performance degradation in those devices with and without interlayers are also discussed....

  4. Design energy spectra for Turkey

    OpenAIRE

    López Almansa, Francisco; Yazgan, Ahmet Utku; Benavent Climent, Amadeo

    2012-01-01

    This work proposes design energy spectra in terms of velocity, derived through linear dynamic analyses on Turkish registers and intended for regions with design peak acceleration 0.3 g or higher. In the long and mid period ranges the analyses are linear, taking profit of the rather insensitivity of the spectra to the structural parameters other than the fundamental period; in the short period range, the spectra are more sensitive to the structural parameters and nonlinear analyses would be re...

  5. Sequencing BPS spectra

    Energy Technology Data Exchange (ETDEWEB)

    Gukov, Sergei [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Max-Planck-Institut für Mathematik,Vivatsgasse 7, D-53111 Bonn (Germany); Nawata, Satoshi [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Centre for Quantum Geometry of Moduli Spaces, University of Aarhus,Nordre Ringgade 1, DK-8000 (Denmark); Saberi, Ingmar [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Stošić, Marko [CAMGSD, Departamento de Matemática, Instituto Superior Técnico,Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Mathematical Institute SANU,Knez Mihajlova 36, 11000 Belgrade (Serbia); Sułkowski, Piotr [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Faculty of Physics, University of Warsaw,ul. Pasteura 5, 02-093 Warsaw (Poland)

    2016-03-02

    This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

  6. Reflectance spectra of subarctic lichens

    International Nuclear Information System (INIS)

    Petzold, D.E.; Goward, S.N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the mid latitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 μm, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future. (author)

  7. Reflectance spectra of subarctic lichens

    Science.gov (United States)

    Petzold, Donald E.; Goward, Samuel N.

    1988-01-01

    Lichens constitute a major portion of the ground cover of high latitude environments, but little has been reported concerning their in situ solar spectral reflectance properties. Knowledge of these properties is important for the interpretation of remotely sensed observations from high latitude regions, as well as in studies of high latitude ecology and energy balance climatology. The spectral reflectance of common boreal vascular plants is similar to that of vascular plants of the midlatitudes. The dominant lichens, in contrast, display variable reflectance patterns in visible wavelengths. The relative reflectance peak at 0.55 microns, common to green vegetation, is absent or indistinct in spectra of pervasive boreal forest and tundra lichens, despite the presence of chlorophyll in the inner algal cells. Lichens of the dominant genus, Cladina, display strong absorption of ultraviolet energy and short-wavelength blue light relative to their absorption in other visible wavelengths. Since the Cladinae dominate both the surface vegetation in open woodlands of the boreal forest and the low arctic tundra, their unusual spectral reflectance patterns will enable accurate monitoring of the boreal forest-tundra ecotone and detection of its vigor and movement in the future.

  8. Fluorescence Spectra of Blowfly Metaxanthopsins

    NARCIS (Netherlands)

    Kruizinga, B.; Stavenga, D.G.

    The main visual pigment of blowflies (xanthopsin) photoconverts into two thermostable metaxanthopsin states M and M’. The fluorescence spectra of the two photoproducts were studied by microspectrofluorometry in vivo. The emission spectra of M and M’ are very similar and peak at 660 nm. The

  9. Fluorescence Spectra of Highlighter Inks

    Science.gov (United States)

    Birriel, Jennifer J.; King, Damon

    2018-01-01

    Fluorescence spectra excited by laser pointers have been the subject of several papers in TPT. These papers all describe a fluorescence phenomenon in which the reflected laser light undergoes a change in color: this color change results from the combination of some partially reflected laser light and additional colors generated by fluorescent emission. Here we examine the fluorescence spectra of highlighter inks using green and violet laser pointers. We use an RSpec Explorer spectrometer to obtain spectra and compare the emission spectra of blue, green, yellow, orange, pink, and purple highlighters. The website Compound Interest details the chemical composition of highlighter inks; in addition, the site discusses how some base dye colors can be combined to produce the variety commercially available colors. Spectra obtained in this study were qualitatively consistent with the Compound Interest site. We discuss similarities and differences between various highlighter colors and conclude with the relevance of such studies to physics students.

  10. Collisions of slow ions C3Hn+ and C3Dn+ (n = 2–8) with room temperature carbon surfaces: mass spectra of product ions and the ion survival probability

    Czech Academy of Sciences Publication Activity Database

    Pysanenko, Andriy; Žabka, Ján; Feketeová, L.; Märk, T. D.; Herman, Zdeněk

    2008-01-01

    Roč. 14, č. 6 (2008), s. 335-343 ISSN 1469-0667 R&D Projects: GA AV ČR IAA4040405; GA AV ČR IAA400400702 Institutional research plan: CEZ:AV0Z40400503 Keywords : ion-surface collisions * C3 hydrocarbons ions * carbon surface * fragmentation and surface reactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.167, year: 2008

  11. [Micro-Raman and fluorescence spectra of several agrochemicals].

    Science.gov (United States)

    Xiao, Yi-lin; Zhang, Peng-xiang; Qian, Xiao-fan

    2004-05-01

    Raman and fluorescence spectra from several agrochemicals were measured, which are sold for the use in vegetables, fruits and grains. Characteristic vibration Raman peaks from some of the agrochemicals were recorded, hence the spectra can be used for their identification. Other marketed agrochemicals demonstrated strong fluorescence under 514.5 nm excitation. It was found that the fluorescence spectra of the agrochemicals are very different. According to these results one can detect the trace amount of agrochemicals left on the surface of fruits, vegetables and grains in situ and conveniently.

  12. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  13. Infrared spectra of mineral species

    CERN Document Server

    Chukanov, Nikita V

    2014-01-01

    This book details more than 3,000 IR spectra of more than 2,000 mineral species collected during last 30 years. It features full descriptions and analytical data of each sample for which IR spectrum was obtained.

  14. Sequential Analysis of Gamma Spectra

    International Nuclear Information System (INIS)

    Fayez-Hassan, M.; Hella, Kh.M.

    2009-01-01

    This work shows how easy one can deal with a huge number of gamma spectra. The method can be used for radiation monitoring. It is based on the macro feature of the windows XP connected to QBASIC software. The routine was used usefully in generating accurate results free from human errors. One hundred measured gamma spectra were fully analyzed in 10 minutes using our fast and automated method controlling the Genie 2000 gamma acquisition analysis software.

  15. Response spectra in alluvial soils

    International Nuclear Information System (INIS)

    Chandrasekharan, A.R.; Paul, D.K.

    1975-01-01

    For aseismic design of structures, the ground motion data is assumed either in the form of ground acceleration as a function of time or indirectly in the form of response spectra. Though the response spectra approach has limitations like not being applicable for nonlinear problems, it is usually used for structures like nuclear power plants. Fifty accelerograms recorded at alluvial sites have been processed. Since different empirical formulas relating acceleration with magnitude and distance give a wide scatter of values, peak ground acceleration alone cannot be the parameter as is assumed by a number of authors. The spectra corresponding to 5% damping have been normalised with respect to three parameters, namely, peak ground acceleration, peak ground velocity and a nondimensional quantity ad/v 2 . Envelopee of maxima and minima as well as average response spectra has been obtained. A comparison with the USAEC spectra has been made. A relation between ground acceleration, ground velocity and ad/v 2 has been obtained which would nearly give the same magnification of the response. A design response spectra for alluvial soils has been recommended. (author)

  16. Multi-scale roughness spectra of Mount St. Helens debris flows

    Science.gov (United States)

    Austin, Richard T.; England, Anthony W.

    1993-01-01

    A roughness spectrum allows surface structure to be interpreted as a sum of sinusoidal components with differing wavelengths. Knowledge of the roughness spectrum gives insight into the mechanisms responsible for electromagnetic scattering at a given wavelength. Measured spectra from 10-year-old primary debris flow surfaces at Mount St. Helens conform to a power-law spectral model, suggesting that these surfaces are scaling over the measured range of spatial frequencies. Measured spectra from water-deposited surfaces deviate from this model.

  17. Electron spectroscopic study of electronic and morphological modifications of the WSe2 surface induced by Rb adsorption

    International Nuclear Information System (INIS)

    Buck, Jens

    2010-01-01

    The rubidium-covered surface of the semiconducting transition metal dichalcogenide tungsten diselenide (WSe 2 ) is examined using photoelectron spectroscopy (PES) and photoemission electron microscopy (PEEM). Adsorbed Rb is known to induce a variety of effects in this system concerning electronic, structural, and mechanical properties. In this work, the surface potential created by charge transfer upon Rb deposition is examined in thermal equilibrium (band bending) and stationary non-equilibrium (surface photovoltage (SPV) effect), which is induced by the absorption of light. It is shown that combined measurements and numerical simulations of the SPV effect as a function of the photon flux can be exploited for the estimation of many material parameters of the system, especially of the unoccupied adsorbate state. Issues of extending a conventional photoelectron spectrometer setup by a secondary light source will be discussed in the context of simulations and calibration measurements. The customization of an existing theoretical model of the SPV effect for the WSe 2 : Rb system is introduced, and a comprehensive validation of the obtained predictions is given in the context of experimental data. In addition, the self-organized formation of Rb domains at room temperature was examined by application of spatially resolved XPS spectroscopy using the PEEM setup at the end station of beamline UE49/PGMa at the BESSY II synchrotron facility. From the obtained results, the arrangement of Rb in surface lattices can be concluded. Furthermore, an X-Ray absorption study of self-organized nanostructure networks, aiming at the chemical characterization, is presented. Based on the interpretation of the examined structures as tension-induced cracks, a statistical approach to analyzing large-scale features was pursued. First accordance with the predictions made by a primitive, mechanical model of crack creation developed here gives gives some evidence for the validity of the proposed

  18. Electron spectroscopic study of electronic and morphological modifications of the WSe{sub 2} surface induced by Rb adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Buck, Jens

    2010-07-20

    The rubidium-covered surface of the semiconducting transition metal dichalcogenide tungsten diselenide (WSe{sub 2}) is examined using photoelectron spectroscopy (PES) and photoemission electron microscopy (PEEM). Adsorbed Rb is known to induce a variety of effects in this system concerning electronic, structural, and mechanical properties. In this work, the surface potential created by charge transfer upon Rb deposition is examined in thermal equilibrium (band bending) and stationary non-equilibrium (surface photovoltage (SPV) effect), which is induced by the absorption of light. It is shown that combined measurements and numerical simulations of the SPV effect as a function of the photon flux can be exploited for the estimation of many material parameters of the system, especially of the unoccupied adsorbate state. Issues of extending a conventional photoelectron spectrometer setup by a secondary light source will be discussed in the context of simulations and calibration measurements. The customization of an existing theoretical model of the SPV effect for the WSe{sub 2}: Rb system is introduced, and a comprehensive validation of the obtained predictions is given in the context of experimental data. In addition, the self-organized formation of Rb domains at room temperature was examined by application of spatially resolved XPS spectroscopy using the PEEM setup at the end station of beamline UE49/PGMa at the BESSY II synchrotron facility. From the obtained results, the arrangement of Rb in surface lattices can be concluded. Furthermore, an X-Ray absorption study of self-organized nanostructure networks, aiming at the chemical characterization, is presented. Based on the interpretation of the examined structures as tension-induced cracks, a statistical approach to analyzing large-scale features was pursued. First accordance with the predictions made by a primitive, mechanical model of crack creation developed here gives gives some evidence for the validity of the

  19. Electronic Raman spectra in iron-based superconductors with two-orbital model

    International Nuclear Information System (INIS)

    Lu Hongyan; Wang Da; Chen San; Wang Wei; Gong Pifeng

    2011-01-01

    Electronic Raman spectra were calculated in orbital space in a microscopic theory. Both Raman spectra and spectra weight were presented. Raman spectra for the gap symmetries are different from each other. The results can help decide the gap symmetry by comparing with experiments. Electronic Raman spectra in iron-based superconductors with two-orbital model is discussed. In the orbital space, some possible pairing symmetries of the gap are selected. To further discriminate them, electronic Raman spectra and spectra weight at Fermi surface (FS) which helps understand the Raman spectra are calculated in each case. From the low energy threshold, the number of Raman peaks, and the low frequency power law behavior, we can judge whether it is full gap or nodal gap, and even one gap or multi-gaps. The results provide useful predictions for comparison with experiments.

  20. Double photoionisation spectra of molecules

    CERN Document Server

    Eland, John

    2017-01-01

    This book contains spectra of the doubly charged positive ions (dications) of some 75 molecules, including the major constituents of terrestrial and planetary atmospheres and prototypes of major chemical groups. It is intended to be a new resource for research in all areas of molecular spectroscopy involving high energy environments, both terrestrial and extra-terrestrial. All the spectra have been produced by photoionisation using laboratory lamps or synchrotron radiation and have been measured using the magnetic bottle time-of-flight technique by coincidence detection of correlated electron pairs. Full references to published work on the same species are given, though for several molecules these are the first published spectra. Double ionisation energies are listed and discussed in relation to the molecular electronic structure of the molecules. A full introduction to the field of molecular double ionisation is included and the mechanisms by which double photoionisation can occur are examined in detail. A p...

  1. Automatic identification of mass spectra

    International Nuclear Information System (INIS)

    Drabloes, F.

    1992-01-01

    Several approaches to preprocessing and comparison of low resolution mass spectra have been evaluated by various test methods related to library search. It is shown that there is a clear correlation between the nature of any contamination of a spectrum, the basic principle of the transformation or distance measure, and the performance of the identification system. The identification of functionality from low resolution spectra has also been evaluated using several classification methods. It is shown that there is an upper limit to the success of this approach, but also that this can be improved significantly by using a very limited amount of additional information. 10 refs

  2. Correlation Functions and Power Spectra

    DEFF Research Database (Denmark)

    Larsen, Jan

    2006-01-01

    The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

  3. Retrieval of temperature profiles from Martian infrared spectra

    Science.gov (United States)

    Mcmillan, W. Wallace; Pearl, John C.; Conrath, Barney J.

    1993-01-01

    In theory, a thermal emission spectrum of Mars (220-1600 cm(exp -1)) contains a wealth of information about the composition and thermal structure of the atmosphere and surface. However, in practice, the ability to retrieve quantitative information from the spectrum is limited by a number of factors including (1) the ill-posed nature of the spectral inversion problem and the resulting nonuniqueness of all solutions; (2) assumptions built into any spectral inversion program; (3) uncertainties in surface pressure, temperature, and emissivity; and (4) uncertainties in the optical properties of atmospheric aerosols. Below, factors (1) and (2) are discussed as fundamental limitations on temperature retrievals from Mariner 9 Infrared Interferometer Spectrometer (IRIS) spectra. In preparation for the Mars Observer mission and the return of tens of thousands of infrared spectra per day from the Thermal Emission Spectrometer (TES), we have developed a fast inversion algorithm to retrieve temperature structure and aerosol opacity from the infrared spectra. The derived atmospheric models will be used to provide the atmospheric contribution to the TES spectra, so that the thermal emission spectra of the underlying surface can be determined for making mineralogical identifications. As a test of our algorithm, we are undertaking a systematic analysis of the entire Mariner 9 Infrared Interferometric Spectrometer (IRIS) dataset of 21,000 plus spectra. While portions of the IRIS dataset have been previously analyzed, the lack of a speedy and robust algorithm to invert the IRIS spectra to retrieve temperature profiles and aerosol opacities has been a major impediment to a truly comprehensive analysis.

  4. Fluorescence Spectra of Highlighter Inks

    Science.gov (United States)

    Birriel, Jennifer J.; King, Damon

    2018-01-01

    Fluorescence spectra excited by laser pointers have been the subject of several papers in "TPT". These papers all describe a fluorescence phenomenon in which the reflected laser light undergoes a change in color: this color change results from the combination of some partially reflected laser light and additional colors generated by…

  5. Classical Trajectories and Quantum Spectra

    Science.gov (United States)

    Mielnik, Bogdan; Reyes, Marco A.

    1996-01-01

    A classical model of the Schrodinger's wave packet is considered. The problem of finding the energy levels corresponds to a classical manipulation game. It leads to an approximate but non-perturbative method of finding the eigenvalues, exploring the bifurcations of classical trajectories. The role of squeezing turns out decisive in the generation of the discrete spectra.

  6. Explanation of earthquake response spectra

    OpenAIRE

    Douglas, John

    2017-01-01

    This is a set of five slides explaining how earthquake response spectra are derived from strong-motion records and simple models of structures and their purpose within seismic design and assessment. It dates from about 2002 and I have used it in various introductory lectures on engineering seismology.

  7. Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex.

    Science.gov (United States)

    Liu, Jing-Min; Zhai, Yu; Zhang, Xiao-Long; Li, Hui

    2018-01-17

    A thorough understanding of the intermolecular configurations of van der Waals complexes is a great challenge due to their weak interactions, floppiness and anharmonic nature. Although high-resolution microwave or infrared spectroscopy provides one of the most direct and precise pieces of experimental evidence, the origin and key role in determining such intermolecular configurations of a van der Waals system strongly depend on its highly accurate potential energy surface (PES) and a detailed analysis of its ro-vibrational wavefunctions. Here, a new five-dimensional potential energy surface for the van der Waals complex of CO-N 2 which explicitly incorporates the dependence on the stretch coordinate of the CO monomer is generated using the explicitly correlated couple cluster (CCSD(T)-F12) method in conjunction with a large basis set. Analytic four-dimensional PESs are obtained by the least-squares fitting of vibrationally averaged interaction energies for v = 0 and v = 1 to the Morse/Long-Range potential mode (V MLR ). These fits to 7966 points have root-mean-square deviations (RMSD) of 0.131 cm -1 and 0.129 cm -1 for v = 0 and v = 1, respectively, with only 315 parameters. Energy decomposition analysis is carried out, and it reveals that the dominant factor in controlling intermolecular configurations is quadrupole-quadrupole electrostatic interactions. Moreover, the rovibrational levels and wave functions are obtained for the first time. The predicted infrared transitions and intensities for the ortho-N 2 -CO complex as well as the calculated energy levels for para-N 2 -CO are in good agreement with the available experimental data with RMSD discrepancies smaller than 0.068 cm -1 . The calculated infrared band origin shift associated with the fundamental band frequency of CO is -0.721 cm -1 for ortho-N 2 -CO which is in excellent agreement with the experimental value of -0.739 cm -1 . The agreement with experimental values validates the high quality of the PESs

  8. Reconstruction of neutron spectra through neural networks

    International Nuclear Information System (INIS)

    Vega C, H.R.; Hernandez D, V.M.; Manzanares A, E.

    2003-01-01

    A neural network has been used to reconstruct the neutron spectra starting from the counting rates of the detectors of the Bonner sphere spectrophotometric system. A group of 56 neutron spectra was selected to calculate the counting rates that would produce in a Bonner sphere system, with these data and the spectra it was trained the neural network. To prove the performance of the net, 12 spectra were used, 6 were taken of the group used for the training, 3 were obtained of mathematical functions and those other 3 correspond to real spectra. When comparing the original spectra of those reconstructed by the net we find that our net has a poor performance when reconstructing monoenergetic spectra, this attributes it to those characteristic of the spectra used for the training of the neural network, however for the other groups of spectra the results of the net are appropriate with the prospective ones. (Author)

  9. Inclusive spectra in hard processes

    International Nuclear Information System (INIS)

    Kiselev, A.V.; Petrov, V.A.

    1985-01-01

    It is shown that the unified mechanism of hadronization in hard processes results in universality of inclusive spectra of soft hadrons. Inclusive spectrum of hadrons in energy share in deep-inelastic lepton-hadron scattering is calculated. The spectrum obtained is calculated with analogous distribution in e + e - annihilation. It is noted that inclusive spectrum of soft hadrons in hard processes is described by a universal function

  10. ACCELERATED FITTING OF STELLAR SPECTRA

    International Nuclear Information System (INIS)

    Ting, Yuan-Sen; Conroy, Charlie; Rix, Hans-Walter

    2016-01-01

    Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15–30 labels simultaneously.

  11. Fabrication of novel Ag−TiO{sub 2} nanobelts as a photoanode for enhanced photovoltage performance in dye sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yang [Engineering Research Center of Nano-Geomaterials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Li, Zhen, E-mail: zhenli@cug.edu.cn [Engineering Research Center of Nano-Geomaterials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China); Cao, Ya; Li, Fei; Zhao, Wen; Liu, Xueqin; Yang, Jianbo [Engineering Research Center of Nano-Geomaterials of Ministry of Education, China University of Geosciences, Wuhan 430074 (China); Faculty of Material Science and Chemistry, China University of Geosciences, Wuhan 430074 (China)

    2016-08-25

    TiO{sub 2} nanobelts (TiO{sub 2}NBs) were successfully prepared using a solvothermal route via Ti foil as substrate in large scales. The morphology evolution process and formation mechanism of the as-obtained products were investigated in detail. On the basis of this novel structure, chemical sensitive Ag modified TiO{sub 2}NBs nanocomposites (Ag−TiO{sub 2}NBs) were fabricated. It was found that Ag−TiO{sub 2}NBs exhibit strong light absorption and efficient electron transport. According to Mott-Schottky analysis, Ag−TiO{sub 2}NBs show less surface trapping sites compared with TiO{sub 2}NBs. The Ag−TiO{sub 2}NBs photoanode fabricated in 0.01 M AgNO{sub 3} demonstrates the best performance with a short-circuit current of 11.9 mA cm{sup −2} corresponding to a photoelectric conversion efficiency of 4.89%, which is higher than that of pure TiO{sub 2}NBs based solar cell by 60%. - Graphical abstract: J-V curves of DSSCs based on TiO{sub 2}NPs, TiO{sub 2}NBs and Ag−TiO{sub 2}NBs—X under AM 1.5 conditions (100 mW cm{sup −2}). Ag−TiO{sub 2}NBs nanocomposites were prepared via a simple and effective method. Owing to strong light absorption and efficient electron transport, Ag−TiO{sub 2}NBs—0.01 M shows a PCE of 4.89% when prepared as a photoanode in DSSCs. - Highlights: • A facile route was adopted to construct well-dispersed Ag nanoparticles on TiO{sub 2} nanobelts (Ag—TiO{sub 2}NBs). • Structure and photoelectrochemical properties of Ag—TiO{sub 2}NBs were studied. • Ag nanoparticles were found to modify the defects of TiO{sub 2}NBs. • Enhanced photovoltaic property of Ag—TiO{sub 2}NBs, compared to TiO{sub 2}NBs.

  12. Investigation on tip enhanced Raman spectra of graphene

    Science.gov (United States)

    Li, Xinjuan; Liu, Yanqi; Zeng, Zhuo; Wang, Peijie; Fang, Yan; Zhang, Lisheng

    2018-02-01

    Tip-enhanced Raman scattering (TERS) is a promising analytical approach for some two-dimensional materials and offers the possibility to correlate imaging and chemical data. Tip-enhanced Raman spectra of graphene are discussed in some details, including substrate, gap between tip-apex and sample surface as well as Ag-nanowire. The TERS spectra give special emphasis to the possibility of TERS tip to induce a large number of defects only while got the tip attached to sample surface. Then the dependence of the TERS spectra of graphene and gap between the probe tip and sample surface was studied, and distribution features of electromagnetic (EM) field around tip were also simulated by finite-difference time-domain (FDTD). The Raman signal enhancement of graphene was further discussed with respect to experimental data. Furthermore, the Ag-nanowire as a nano-antenna could significantly enhance the weak Raman signal of D-band of monolayer graphene is shown, and the TERS spectra of graphene with regard to different regions of Ag-nanowires (endpoints, body) were obtained toward investigating into the distribution of electromagnetic field.

  13. Curved Radio Spectra of Weak Cluster Shocks

    Science.gov (United States)

    Kang, Hyesung; Ryu, Dongsu

    2015-08-01

    In order to understand certain observed features of arc-like giant radio relics such as the rareness, uniform surface brightness, and curved integrated spectra, we explore a diffusive shock acceleration (DSA) model for radio relics in which a spherical shock impinges on a magnetized cloud containing fossil relativistic electrons. Toward this end, we perform DSA simulations of spherical shocks with the parameters relevant for the Sausage radio relic in cluster CIZA J2242.8+5301, and calculate the ensuing radio synchrotron emission from re-accelerated electrons. Three types of fossil electron populations are considered: a delta-function like population with the shock injection momentum, a power-law distribution, and a power law with an exponential cutoff. The surface brightness profile of the radio-emitting postshock region and the volume-integrated radio spectrum are calculated and compared with observations. We find that the observed width of the Sausage relic can be explained reasonably well by shocks with speed {u}{{s}}˜ 3× {10}3 {km} {{{s}}}-1 and sonic Mach number {M}{{s}}˜ 3. These shocks produce curved radio spectra that steepen gradually over (0.1-10){ν }{br} with a break frequency {ν }{br}˜ 1 GHz if the duration of electron acceleration is ˜60-80 Myr. However, the abrupt increase in the spectral index above ˜1.5 GHz observed in the Sausage relic seems to indicate that additional physical processes, other than radiative losses, operate for electrons with {γ }{{e}}≳ {10}4.

  14. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    The need for generation of seismic acceleration histories to prescribed response spectra arises several ways in structural dynamics. For example, one way of obtaining floor spectra is to generate a history from a foundation spectra and then solve for the floor motion from which a floor spectrum can be obtained. Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE

  15. Operator functions and localization of spectra

    CERN Document Server

    Gil’, Michael I

    2003-01-01

    "Operator Functions and Localization of Spectra" is the first book that presents a systematic exposition of bounds for the spectra of various linear nonself-adjoint operators in a Hilbert space, having discrete and continuous spectra. In particular bounds for the spectra of integral, differential and integro-differential operators, as well as finite and infinite matrices are established. The volume also presents a systematic exposition of estimates for norms of operator-valued functions and their applications.

  16. Wavelet spectra of JACEE events

    International Nuclear Information System (INIS)

    Suzuki, Naomichi; Biyajima, Minoru; Ohsawa, Akinori.

    1995-01-01

    Pseudo-rapidity distributions of two high multiplicity events Ca-C and Si-AgBr observed by the JACEE are analyzed by a wavelet transform. Wavelet spectra of those events are calculated and compared with the simulation calculations. The wavelet spectrum of the Ca-C event somewhat resembles that simulated with the uniform random numbers. That of Si-AgBr event, however, is not reproduced by simulation calculations with Poisson random numbers, uniform random numbers, or a p-model. (author)

  17. Rotational spectra and molecular structure

    CERN Document Server

    Wollrab, James E

    1967-01-01

    Physical Chemistry, A Series of Monographs: Rotational Spectra and Molecular Structure covers the energy levels and rotational transitions. This book is divided into nine chapters that evaluate the rigid asymmetric top molecules and the nuclear spin statistics for asymmetric tops. Some of the topics covered in the book are the asymmetric rotor functions; rotational transition intensities; classes of molecules; nuclear spin statistics for linear molecules and symmetric tops; and classical appearance of centrifugal and coriolis forces. Other chapters deal with the energy levels and effects of ce

  18. Interatomic scattering in energy dependent photoelectron spectra of Ar clusters

    Energy Technology Data Exchange (ETDEWEB)

    Patanen, M.; Benkoula, S.; Nicolas, C.; Goel, A. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Antonsson, E. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Physikalische und Theoretische Chemie Institut für Chemie und Biochemie, Fachbereich Biologie, Chemie, Pharmazie, Freie Universität Berlin, Takustrasse 3, 14195 Berlin (Germany); Neville, J. J. [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2 (Canada); Miron, C., E-mail: Catalin.Miron@synchrotron-soleil.fr [Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, BP 48, 91192 Gif-sur-Yvette Cedex (France); Extreme Light Infrastructure - Nuclear Physics (ELI-NP), ‘Horia Hulubei’ National Institute for Physics and Nuclear Engineering, 30 Reactorului Street, RO-077125 Măgurele, Jud. Ilfov (Romania)

    2015-09-28

    Soft X-ray photoelectron spectra of Ar 2p levels of atomic argon and argon clusters are recorded over an extended range of photon energies. The Ar 2p intensity ratios between atomic argon and clusters’ surface and bulk components reveal oscillations similar to photoelectron extended X-ray absorption fine structure signal (PEXAFS). We demonstrate here that this technique allows us to analyze separately the PEXAFS signals from surface and bulk sites of free-standing, neutral clusters, revealing a bond contraction at the surface.

  19. INTRIGOSS: A new Library of High Resolution Synthetic Spectra

    Science.gov (United States)

    Franchini, Mariagrazia; Morossi, Carlo; Di Marcancantonio, Paolo; Chavez, Miguel; GES-Builders

    2018-01-01

    INTRIGOSS (INaf Trieste Grid Of Synthetic Spectra) is a new High Resolution (HiRes) synthetic spectral library designed for studying F, G, and K stars. The library is based on atmosphere models computed with specified individual element abundances via ATLAS12 code. Normalized SPectra (NSP) and surface Flux SPectra (FSP), in the 4800-5400 Å wavelength range, were computed by means of the SPECTRUM code. The synthetic spectra are computed with an atomic and bi-atomic molecular line list including "bona fide" Predicted Lines (PLs) built by tuning loggf to reproduce very high SNR Solar spectrum and the UVES-U580 spectra of five cool giants extracted from the Gaia-ESO survey (GES). The astrophysical gf-values were then assessed by using more than 2000 stars with homogenous and accurate atmosphere parameters and detailed chemical composition from GES. The validity and greater accuracy of INTRIGOSS NSPs and FSPs with respect to other available spectral libraries is discussed. INTRIGOSS will be available on the web and will be a valuable tool for both stellar atmospheric parameters and stellar population studies.

  20. Effects of Oriented Surface Dipole on Photoconversion Efficiency in an Alkane/Lipid-Hybrid-Bilayer-Based Photovoltaic Model System

    KAUST Repository

    Liu, Lixia

    2013-06-21

    When a phospholipid monolayer containing a zinc-coordinated porphyrin species formed atop a self-assembled monolayer of heptadecafluoro-1-decanethiol (CF3(CF2)7(CH2)2SH) is subjected to photoelectrochemical current generation, a significant modulation effect is observed. Compared with devices that contain similar photoactive lipid monolayers but formed on 1-dodecanethiol SAMs, these fluorinated hybrid bilayers produce a >60 % increase in cathodic currents and a similar decrease in anodic currents. Photovoltages recorded from these hybrid bilayers are found to vary in the same fashion. The modulation of photovoltaic responses in these hybrid-bilayer-based devices is explained by the opposite surface dipoles associated with the thiols employed in this study, which in one case (fluorothiol) increase and in another (alkanethiol) decrease the work function of the underlying gold substrates. A similar trend of photovoltage/photocurrent modulation is also observed if fullerene is used as the photoagent in these devices. Our results reveal the intricacy of orientated surface dipole in influencing the photovoltaic processes, and its subtle interplay with other factors related to the photoagents, such as their location and orientation within the organic matrix. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Photovoltage effects in polypyrrole-diamond nanosystem

    Czech Academy of Sciences Publication Activity Database

    Rezek, Bohuslav; Čermák, Jan; Kromka, Alexander; Ledinský, Martin; Kočka, Jan

    2009-01-01

    Roč. 18, 2-3 (2009), 249-252 ISSN 0925-9635 R&D Projects: GA MŠk(CZ) LC06040; GA AV ČR KAN400100701; GA ČR(CZ) GD202/05/H003; GA MŠk LC510 Institutional research plan: CEZ:AV0Z10100521 Keywords : diamond * polymers * heterojunction * Kelvin force microscopy Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.822, year: 2009

  2. Different spectra with the same neutron source

    Energy Technology Data Exchange (ETDEWEB)

    Vega C, H. R.; Ortiz R, J. M.; Hernandez D, V. M.; Martinez B, M. R.; Hernandez A, B.; Ortiz H, A. A. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Calle Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Mercado, G. A., E-mail: fermineutron@yahoo.co [Universidad Autonoma de Zacatecas, Unidad Academica de Matematicas, Jardin Juarez No. 147, 98000 Zacatecas (Mexico)

    2010-02-15

    Using as source term the spectrum of a {sup 239}Pu-Be source several neutron spectra have been calculated using Monte Carlo methods. The source term was located in the centre of spherical moderators made of light water, heavy water and polyethylene of different diameters. Also a {sup 239}Pu-Be source was used to measure its neutron spectrum, bare and moderated by water. The neutron spectra were measured at 100 cm with a Bonner spheres spectrometer. Monte Carlo calculations were used to calculate the neutron spectra of bare and water-moderated spectra that were compared with those measured with the spectrometer. Resulting spectra are similar to those found in power plants with PWR, BWR and Candu nuclear reactors. Beside the spectra the dosimetric features were determined. Using moderators and a single neutron source can be produced neutron spectra alike those found in workplaces, this neutron fields can be utilized to calibrate neutron dosimeters and area monitors. (Author)

  3. Different spectra with the same neutron source

    International Nuclear Information System (INIS)

    Vega C, H. R.; Ortiz R, J. M.; Hernandez D, V. M.; Martinez B, M. R.; Hernandez A, B.; Ortiz H, A. A.; Mercado, G. A.

    2010-01-01

    Using as source term the spectrum of a 239 Pu-Be source several neutron spectra have been calculated using Monte Carlo methods. The source term was located in the centre of spherical moderators made of light water, heavy water and polyethylene of different diameters. Also a 239 Pu-Be source was used to measure its neutron spectrum, bare and moderated by water. The neutron spectra were measured at 100 cm with a Bonner spheres spectrometer. Monte Carlo calculations were used to calculate the neutron spectra of bare and water-moderated spectra that were compared with those measured with the spectrometer. Resulting spectra are similar to those found in power plants with PWR, BWR and Candu nuclear reactors. Beside the spectra the dosimetric features were determined. Using moderators and a single neutron source can be produced neutron spectra alike those found in workplaces, this neutron fields can be utilized to calibrate neutron dosimeters and area monitors. (Author)

  4. Photoluminescence and infrared absorption spectra of aminated nanocrystalline diamond surface

    Czech Academy of Sciences Publication Activity Database

    Remeš, Zdeněk; Kozak, Halyna; Babchenko, Oleg; Ukraintsev, Egor; Kromka, Alexander

    2013-01-01

    Roč. 5, č. 6 (2013), s. 515-518 ISSN 2164-6627 R&D Projects: GA ČR(CZ) GBP108/12/G108; GA ČR GPP205/12/P331; GA MŠk LH12236; GA MŠk LH12186 Institutional support: RVO:68378271 Keywords : nanocrystalline diamond * infrared spectroscopy * photoluminescence * fluorescamine Subject RIV: BM - Solid Matter Physics ; Magnetism

  5. Graviton spectra in string cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Galluccio, Massimo [Osservatorio Astronomico di Roma (Roma-IT); Litterio, Marco [Istituto Astronomico dell' Universita (Roma-IT); Occhionero, Franco [Osservatorio Astronomico di Roma (Roma-IT)

    1996-08-01

    We propose to uncover the signature of a stringy era in the primordial Universe by searching for a prominent peak in the relic graviton spectrum. This feature, which in our specific model terminates an ω³ increase and initiates an ω⁻⁷ decrease, is induced during the so far overlooked bounce of the scale factor between the collapsing deflationary era (or pre-Big Bang) and the expanding inflationary era (or post-Big Bang). We evaluate both analytically and numerically the frequency and the intensity of the peak and we show that they may likely fall in the realm of the new generation of interferometric detectors. The existence of a peak is at variance with ordinarily monotonic (either increasing or decreasing) graviton spectra of canonical cosmologies; its detection would therefore offer strong support to string cosmology.

  6. Infrared reflectance spectra: effects of particle size, provenance and preparation

    Science.gov (United States)

    Su, Yin-Fong; Myers, Tanya L.; Brauer, Carolyn S.; Blake, Thomas A.; Forland, Brenda M.; Szecsody, J. E.; Johnson, Timothy J.

    2014-10-01

    We have recently developed methods for making more accurate infrared total and diffuse directional - hemispherical reflectance measurements using an integrating sphere. We have found that reflectance spectra of solids, especially powders, are influenced by a number of factors including the sample preparation method, the particle size and morphology, as well as the sample origin. On a quantitative basis we have investigated some of these parameters and the effects they have on reflectance spectra, particularly in the longwave infrared. In the IR the spectral features may be observed as either maxima or minima: In general, upward-going peaks in the reflectance spectrum result from strong surface scattering, i.e. rays that are reflected from the surface without bulk penetration, whereas downward-going peaks are due to either absorption or volume scattering, i.e. rays that have penetrated or refracted into the sample interior and are not reflected. The light signals reflected from solids usually encompass all such effects, but with strong dependencies on particle size and preparation. This paper measures the reflectance spectra in the 1.3 - 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to observe the effects on the spectral features: Bulk materials were ground with a mortar and pestle and sieved to separate the samples into various size fractions between 5 and 500 microns. The median particle size is demonstrated to have large effects on the reflectance spectra. For certain minerals we also observe significant spectral change depending on the geologic origin of the sample. All three such effects (particle size, preparation and provenance) result in substantial change in the reflectance spectra for solid materials; successful identification algorithms will require sufficient flexibility to account for these parameters.

  7. Proposed Site-Specific Response Spectra for Surabaya-Madura Bridge

    Directory of Open Access Journals (Sweden)

    Dyah Kusumastuti

    2008-01-01

    Full Text Available This paper presents a site-specific seismic hazard study to determine the recommended seismic design criteria for Suramadu Bridge. The study is performed using probabilistic seismic hazard approach to determine maximum acceleration and response spectra at bedrock and followed by local site effect analysis to determine maximum acceleration and response spectra at ground surface. The probabilistic seismic hazard analysis (PSHA is carried out using 3-dimension (3-D seismic source models (fault source model. Two hazard levels are analysed to represent 150 and 3,300 years return period of ground motion around site location. The local site effect analysis is performed using 1-dimension (1-D shear wave propagation theory to obtain peak ground acceleration and response spectra at ground surface. Finally, the site-specific surface response spectra with 5 percent damping are developed based on the mean plus one standard deviation concept from the result of local site effect analysis.

  8. Study of the shape of β spectra

    International Nuclear Information System (INIS)

    Bisch, Charlene

    2014-01-01

    The goal of this PhD work is to build an experimental device dedicated to measuring beta spectra with a precision relevant to modern metrology requirements. The device, which is based on a silicon semi-conductor detector, must take into account certain physical phenomena and detector characteristics which could lead to deformation of the measured spectra. These must be understood and minimized. Monte-Carlo simulations have allowed the geometry and construction materials to be optimized. The quality of the radioactive sources is paramount in obtaining spectra of high-quality. Nonetheless, the measured spectra must be corrected for any remaining distortion. A response function must therefore be determined for each measurement geometry. This can be achieved via Monte-Carlo simulations. The first results show that deconvolution of the measured spectra with the response function makes possible the accurate determination of the true form of the beta spectra. (author) [fr

  9. Calculation of reactor antineutrino spectra in TEXONO

    CERN Document Server

    Chen Dong Liang; Mao Ze Pu; Wong, T H

    2002-01-01

    In the low energy reactor antineutrino physics experiments, either for the researches of antineutrino oscillation and antineutrino reactions, or for the measurement of abnormal magnetic moment of antineutrino, the flux and the spectra of reactor antineutrino must be described accurately. The method of calculation of reactor antineutrino spectra was discussed in detail. Furthermore, based on the actual circumstances of NP2 reactors and the arrangement of detectors, the flux and the spectra of reactor antineutrino in TEXONO were worked out

  10. Structure of high-resolution NMR spectra

    CERN Document Server

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  11. Neutron and photon spectra in LINACs

    International Nuclear Information System (INIS)

    Vega-Carrillo, H.R.; Martínez-Ovalle, S.A.; Lallena, A.M.; Mercado, G.A.; Benites-Rengifo, J.L.

    2012-01-01

    A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 –6 and 1 MeV. Neutron and the Bremsstrahlung spectra show the same features regardless of the linac voltage. - Highlights: ► With MCNPX code realistic models of two LINACs were built. ► Photon and neutron spectra below the flattening filter and at the isocenter were calculated. ► Neutron spectrum at the flattening filter was compared against the Tosi et al. source-term model. ► Tosi et al. model underestimates the neutron contribution below 1 MeV. ► Photon spectra look alike to those published in literature.

  12. Infrared spectra of thyroid tumor tissues

    Science.gov (United States)

    Tolstorozhev, G. B.; Skornyakov, I. V.; Butra, V. A.

    2010-07-01

    We used infrared spectroscopy methods to study thyroid tumor tissues removed during surgery. The IR spectra of the surgical material are compared with data from histological examination. We show that in malignant neoplasms, the spectra of proteins in the region of C=O vibrations are different from the spectra of these substances in benign tumors and in tissues outside the pathological focus at a distance >1 cm from the margin of the tumor. The differences in the spectra are due to changes in the supermolecular structure of the proteins, resulting from rearrangement of the system of hydrogen bonds. We identify the spectral signs of malignant pathologies.

  13. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.

    2009-01-01

    The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground...

  14. Methodology for analyzing weak spectra

    International Nuclear Information System (INIS)

    Yankovich, T.L.; Swainson, I.P.

    2000-02-01

    There is considerable interest in quantifying radionuclide transfer between environmental compartments. However, in many cases, it can be a challenge to detect concentrations of gamma-emitting radionuclides due to their low levels in environmental samples. As a result, it is valuable to develop analytical protocols to ensure consistent analysis of the areas under weak peaks. The current study has focused on testing how reproducibly peak areas and baselines can be determined using two analytical approaches. The first approach, which can be carried out using Maestro software, involves extracting net counts under a curve without fitting a functional form to the peak, whereas the second approach, which is used by most other peak fitting programs, determines net counts from spectra by fitting a Gaussian form to the data. It was found that the second approach produces more consistent peak area and baseline measurements, with the ability to de-convolute multiple, overlapping peaks. In addition, programs, such as Peak Fit, which can be used to fit a form to spectral data, often provide goodness of fit analyses, since the Gaussian form can be described using a characteristic equation against which peak data can be tested for their statistical significance. (author)

  15. Calculation of ground vibration spectra from heavy military vehicles

    Science.gov (United States)

    Krylov, V. V.; Pickup, S.; McNuff, J.

    2010-07-01

    The demand for reliable autonomous systems capable to detect and identify heavy military vehicles becomes an important issue for UN peacekeeping forces in the current delicate political climate. A promising method of detection and identification is the one using the information extracted from ground vibration spectra generated by heavy military vehicles, often termed as their seismic signatures. This paper presents the results of the theoretical investigation of ground vibration spectra generated by heavy military vehicles, such as tanks and armed personnel carriers. A simple quarter car model is considered to identify the resulting dynamic forces applied from a vehicle to the ground. Then the obtained analytical expressions for vehicle dynamic forces are used for calculations of generated ground vibrations, predominantly Rayleigh surface waves, using Green's function method. A comparison of the obtained theoretical results with the published experimental data shows that analytical techniques based on the simplified quarter car vehicle model are capable of producing ground vibration spectra of heavy military vehicles that reproduce basic properties of experimental spectra.

  16. Photoinduced charge dissociation and transport at P3HT/ITO interfaces: studied by modulated surface spectroscopy

    International Nuclear Information System (INIS)

    Rujisamphan, Nopporn; Supasai, Thidarat; Dittrich, Thomas

    2016-01-01

    Results of a temperature dependence study of photoinduced charge separation across P3HT nanocrystals at P3HT/ITO interfaces have been investigated by modulated surface photovoltage (SPV) spectroscopy in a fixed capacitor arrangement. The SPV measurements were correlated with the crystalline sizes of P3HT nanocrystals determined by grazing incidence X-ray diffraction (GIXRD). The crystalline sizes of P3HT nanocrystals were varied systematically by progressive heating/cooling cycles identical for SPV and GIXRD measurements. Photovoltage signals, indication of photoinduced charge dissociation in space, at the P3HT/ITO interface were collected, and electrons were separated across the first monolayer of P3HT nanocrystals at the P3HT/ITO interface due to band bending. The activation energies for quenching of the in-phase and phase-shifted by 90 SPV signals were 0.7 and 0.6 eV, respectively. Thermal activation of the formation of P3HT nanocrystals was of the same order as the enthalpy of fusion of ideal crystals from regioregular P3HT. A schematic drawing of photoinduced charge separation at the P3HT/ITO is proposed. (orig.)

  17. Photoinduced charge dissociation and transport at P3HT/ITO interfaces: studied by modulated surface spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rujisamphan, Nopporn [King Mongkut' s University of Technology Thonburi, Department of Physics, Faculty of Science, Bangkok (Thailand); Institute of Heterogeneous Materials, Helmholtz Center Berlin for Materials and Energy, Berlin (Germany); Supasai, Thidarat [Kasetsart University, Department of Materials Science, Faculty of Science, Bangkok (Thailand); Dittrich, Thomas [Institute of Heterogeneous Materials, Helmholtz Center Berlin for Materials and Energy, Berlin (Germany)

    2016-02-15

    Results of a temperature dependence study of photoinduced charge separation across P3HT nanocrystals at P3HT/ITO interfaces have been investigated by modulated surface photovoltage (SPV) spectroscopy in a fixed capacitor arrangement. The SPV measurements were correlated with the crystalline sizes of P3HT nanocrystals determined by grazing incidence X-ray diffraction (GIXRD). The crystalline sizes of P3HT nanocrystals were varied systematically by progressive heating/cooling cycles identical for SPV and GIXRD measurements. Photovoltage signals, indication of photoinduced charge dissociation in space, at the P3HT/ITO interface were collected, and electrons were separated across the first monolayer of P3HT nanocrystals at the P3HT/ITO interface due to band bending. The activation energies for quenching of the in-phase and phase-shifted by 90 SPV signals were 0.7 and 0.6 eV, respectively. Thermal activation of the formation of P3HT nanocrystals was of the same order as the enthalpy of fusion of ideal crystals from regioregular P3HT. A schematic drawing of photoinduced charge separation at the P3HT/ITO is proposed. (orig.)

  18. Observing the Spectra of MEarth and TRAPPIST Planets with JWST

    Science.gov (United States)

    Morley, Caroline; Kreidberg, Laura; Rustamkulov, Zafar; Robinson, Tyler D.; Fortney, Jonathan J.

    2017-10-01

    During the past two years, nine planets close to Earth in radius have been discovered around nearby M dwarfs cooler than 3300 K. These planets include the 7 planets in the TRAPPIST-1 system and two planets discovered by the MEarth survey, GJ 1132b and LHS 1140b (Dittmann et al. 2017; Berta-Thompson et al. 2015; Gillon et al. 2017). These planets are the smallest planets discovered to date that will be amenable to atmospheric characterization with JWST. They span equilibrium temperatures from ˜130 K to >500 K, and radii from 0.7 to 1.43 Earth radii. Some of these planets orbit as distances potentially amenable to surface liquid water, though the actual surface temperatures will depend strongly on the albedo of the planet and the thickness and composition of its atmosphere. The stars they orbit also vary in activity levels, from the quiet LHS 1140b host star to the more active TRAPPIST-1 host star. This set of planets will form the testbed for our first chance to study the diversity of atmospheres around Earth-sized planets. Here, we will present model spectra of these 9 planets, varying the composition and the surface pressure of the atmosphere. We base our elemental compositions on three outcomes of planetary atmosphere evolution in our own solar system: Earth, Titan, and Venus. We calculate the molecular compositions in chemical equilibrium. We present both thermal emission spectra and transmission spectra for each of these objects, and make predictions for the observability of these spectra with different instrument modes with JWST.

  19. Properties of Martian Hematite at Meridiani Planum by Simultaneous Fitting of Mars Mossbauer Spectra

    Science.gov (United States)

    Agresti, D. G.; Fleischer, I.; Klingelhoefer, G.; Morris, R. V.

    2010-01-01

    Mossbauer spectrometers [1] on the two Mars Exploration Rovers (MERs) have been making measurements of surface rocks and soils since January 2004, recording spectra in 10-K-wide temperature bins ranging from 180 K to 290 K. Initial analyses focused on modeling individual spectra directly as acquired or, to increase statistical quality, as sums of single-rock or soil spectra over temperature or as sums over similar rock or soil type [2, 3]. Recently, we have begun to apply simultaneous fitting procedures [4] to Mars Mossbauer data [5-7]. During simultaneous fitting (simfitting), many spectra are modeled similarly and fit together to a single convergence criterion. A satisfactory simfit with parameter values consistent among all spectra is more likely than many single-spectrum fits of the same data because fitting parameters are shared among multiple spectra in the simfit. Consequently, the number of variable parameters, as well as the correlations among them, is greatly reduced. Here we focus on applications of simfitting to interpret the hematite signature in Moessbauer spectra acquired at Meridiani Planum, results of which were reported in [7]. The Spectra. We simfit two sets of spectra with large hematite content [7]: 1) 60 rock outcrop spectra from Eagle Crater; and 2) 46 spectra of spherule-rich lag deposits (Table 1). Spectra of 10 different targets acquired at several distinct temperatures are included in each simfit set. In the table, each Sol (martian day) represents a different target, NS is the number of spectra for a given sol, and NT is the number of spectra for a given temperature. The spectra are indexed to facilitate definition of parameter relations and constraints. An example spectrum is shown in Figure 1, together with a typical fitting model. Results. We have shown that simultaneous fitting is effective in analyzing a large set of related MER Mossbauer spectra. By using appropriate constraints, we derive target-specific quantities and the

  20. Incorporating Spectra Into Periodic Timing

    Science.gov (United States)

    Connors, Alanna; Hong, J.; Protopapas, P.; Kashyap, V.

    2011-09-01

    The Chandra surveys have resulted in a wealth of data on low-luminosity X-ray sources (Lx 1030-34 erg/s) of Galactic scales beyond the local solar neighborhood. Many of these are compact binaries, in particular, cataclysmic variables, often identified by their periodic X-ray variability and spectra. Hong et al. (2009, 2011) have used energy quantiles (Hong, Schlegel & Grindlay, 2004) as a fast, robust indicator of spectral hardness and absorption of the X-ray sources. Energy quantiles also enable a simple but effective illustration of spectral changes with phase in these periodic systems: e.g. absorption by the accreting material is understood to drive the periodic light-curves. An interesting question is how to best make use of the information encapsulated in the periodic change in energy spectrum, along with the periodic change in intensity, especially for cases of ambiguous period determination? And, how to do it computationally efficiently? A first approach is to do the period search in intensity, as is standard; and then use a criterion of spectral variation to verify possible periods. Huijse, Zegers & Protopapas (2011) recently demonstrated a powerful period estimation technique using information potential and correntropy embedded in the light curve. Similar quantities based on energies (or energy quantiles) of X-ray photons can serve as criteria of spectral variation. A different approach treats the spectrum variations and intensity variations completely independently, searching through period-space in each, and then combining the results. A more general method would include both at the same time, looking for statistically significant variations above what is expected for a constant (in intensity and spectrum).

  1. Area spectra of near extremal black holes

    International Nuclear Information System (INIS)

    Chen, Deyou; Yang, Haitang; Zu, Xiaotao

    2010-01-01

    Motivated by Maggiore's new interpretation of quasinormal modes, we investigate area spectra of a near extremal Schwarzschild-de Sitter black hole and a higher-dimensional near extremal Reissner-Nordstrom-de Sitter black hole. The result shows that the area spectra are equally spaced and irrelevant to the parameters of the black holes. (orig.)

  2. Resolution enhancement in second-derivative spectra.

    Science.gov (United States)

    Czarnecki, Mirosław A

    2015-01-01

    Derivative spectroscopy is a powerful tool for the resolution enhancement in infrared, near-infrared, Raman, ultraviolet-visible, nuclear magnetic resonance, electron paramagnetic resonance, and fluorescence spectroscopy. Despite its great significance in analytical chemistry, not all aspects of the applications of this method have been explored as yet. This is the first systematic study of the parameters that influence the resolution enhancement in the second derivative spectra. The derivative spectra were calculated with the Savitzky-Golay method with different window size (5, 15, 25) and polynomial order (2, 4). The results obtained in this work show that the resolution enhancement in the second derivative spectra strongly depends on the data spacing in the original spectra, window size, polynomial order, and peak profile. As shown, the resolution enhancement is related to variations in the width of the peaks upon the differentiation. The present study reveals that in order to maximize the separation of the peaks in the second derivative spectra, the original spectra should be recorded at high resolution and differentiated using a small window size and high polynomial order. However, working with the real spectra one has to compromise between the noise reduction and optimization of the resolution enhancement in the second derivative spectra.

  3. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  4. Thermoluminescence spectra measured with a Michelson interferometer

    International Nuclear Information System (INIS)

    Haschberger, P.

    1991-01-01

    A Michelson interferometer was redesigned to prove its capabilities in the measurement of short-lived, low-intensity thermoluminescence spectra. Interferograms are collected during heating up the thermoluminescent probe in a heater plate. A personal computer controls the data acquisition and processes the Fourier transform. As the results show, even a comparatively simple and limited setup leads to relevant and reproducible spectra. (author)

  5. Computer enhancement of ESR spectra of magnetite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Dobosz, B.; Krzyminiewski, R. [Medical Physics Division, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Koralewski, M. [Optics Laboratory, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); Hałupka-Bryl, M. [Medical Physics Division, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznan (Poland); The PhD Program in Nanoscience and Nanotechnology, The Nanobiomedical Centre, Umultowska 85, 61-614 Poznan (Poland)

    2016-06-01

    We present ESR measurements of non-interacting magnetic nanoparticle systems. Temperature and orientational dependence of ESR spectra were measured for Fe{sub 3}O{sub 4} nanoparticle coated by dextran or oleic acid, frozen in different magnetic field. Several parameters describing magnetic properties such as g-factor, line width, the anisotropy constant were calculated and discussed. The ESR spectra of investigated nanoparticles were also subjected to Computer Resolution Enhancement Method (CREM). This procedure allows to separate a narrow line on the background of the broad line, which presence in this type of materials was recognized in the recent literature and have been further discussed in the paper. CREM is a valuable tool for monitoring of changes on the surface of magnetic core of nanoparticles. - Highlights: • CREM – a new tool for monitoring of changes on the surface of magnetic core of nanoparticles. • CREM allows to separate a narrow line on the background of the broad line. • Temperature and orientational dependence of ESR spectra of Fe{sub 3}O{sub 4} nanoparticles were measured. • Parameters describing magnetic properties were calculated and discussed.

  6. PCA: Principal Component Analysis for spectra modeling

    Science.gov (United States)

    Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

    2012-07-01

    The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

  7. General Notes on Processes and Their Spectra

    Directory of Open Access Journals (Sweden)

    Gustav Cepciansky

    2012-01-01

    Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

  8. Design spectra development considering short time histories

    International Nuclear Information System (INIS)

    Weiner, E.O.

    1983-01-01

    Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE. MODQKE was written to modify or provide new histories with special attention paid to short seismic records. A technique from the open literature was borrowed to generate an initial history that approximates a given response spectrum. Further refinement is done with smoothing cycles in which several correction signals are added to the history in a way that produces a least squares fit between actual and prescribed spectra. Provision is made for history shaping, a baseline correction, and final scaling. MODQKE performance has been demonstrated with seven examples having zero to ten percent damping ratios, and 2.5 seconds to 20 seconds durations and a variety of target spectra. The examples show the program is inexpensive to use. MDOF is a simple modal superposition program. It has no eigensolver, and the user supplies mode shapes, frequencies, and participation factors as input. Floor spectra can be generated from design spectra by using a history from MODQKE that conforms to the design spectrum as input to MDOF. Floor motions from MDOF can be fed back to MODQKE without modification to obtain the floor spectra. A simple example is given to show how equipment mass effects can be incorporated into the MDOF solution. Any transient solution capability can be used to replace MDOF. For example, a direct transient approach may be desirable if both the equipment and floor structures are to be included in the model with different damping fractions. (orig./HP)

  9. Blind extraction of exoplanetary spectra

    Science.gov (United States)

    Morello, Giuseppe; Waldmann, Ingo; Damiano, Mario; Tinetti, Giovanna

    2016-10-01

    In the last decade, remote sensing spectroscopy enabled characterization of the atmospheres of extrasolar planets. Transmission and emission spectra of tens of transiting exoplanets have been measured with multiple instruments aboard Spitzer and Hubble Space Telescopes as well as ground-based facilities, revealing the presence of chemical species in their atmospheres, and constraining their temperature and pressure profiles.Early analyses were somehow heuristic, leading to some controversies in the literature.A photometric precision of 0.01% is necessary to detect the atmospheric spectral modulations. Current observatories, except Kepler, were not designed to achieve this precision. Data reduction is necessary to minimize the effect of instrument systematics in order to achieve the target precision. In the past, parametric models have extensively been used by most teams to remove correlated noise with the aid of auxiliary information of the instrument, the so-called optical state vectors (OSVs). Such OSVs can include inter- and intra-pixel position of the star or its spectrum, instrument temperatures and inclinations, and/or other parameters. In some cases, different parameterizations led to discrepant results.We recommend the use of blind non-parametric data detrending techniques to overcome those issues. In particular, we adopt Independent Component Analysis (ICA), i.e. a powerful blind source separation (BSS) technique to disentangle the multiple instrument systematics and astrophysical signals in transit/eclipse light curves. ICA does not require a model for the systematics, thence it can be applied to any instrument with little changes, if any. ICA-based algorithms have been applied to Spitzer/IRAC and synthetic observations in photometry (Morello et al. 2014, 2015, 2016; Morello 2015) and to Hubble/WFC3, Hubble/NICMOS and Spitzer/IRS and Hubble/WFC3 in spectroscopy (Damiano, Morello et al., in prep., Waldmann 2012, 2014, Waldmann et al. 2013) with excellent

  10. Comparison of mass spectra of different types of matrices

    International Nuclear Information System (INIS)

    Slusna, L.; Halaszova, S.; Prochazka, M.; Velic, D.

    2014-01-01

    With secondary ion mass spectrometry it is possible to analyze the surface of the inorganic, organic samples and samples which are combinations of organic and inorganic compounds. Each of these types of samples has a different way of formation secondary ions - ionization mechanism. This paper deals with comparison of second cluster ions on an inorganic gold substrate with iron deposition, fragmentation and formation of organic molecules ions of cholesterol and a combination of different mechanisms for analyzing fingerprints with gunshot fumes. The spectra of gold (Au) were demonstrated preference ionization clusters with an odd number of atoms. In the spectra of cholesterol have been identified peaks arising deprotonation, cationization and loss of small functional groups. Such methods of ionization were applied in the analysis of fingerprints of gunpowder, where it was possible to detect species of ammunition even at low concentrations (authors)

  11. Molecule signatures in photoluminescence spectra of transition metal dichalcogenides

    Science.gov (United States)

    Feierabend, Maja; Berghäuser, Gunnar; Selig, Malte; Brem, Samuel; Shegai, Timur; Eigler, Siegfried; Malic, Ermin

    2018-01-01

    Monolayer transition metal dichalcogenides (TMDs) show an optimal surface-to-volume ratio and are thus promising candidates for novel molecule sensor devices. It was recently predicted that a certain class of molecules exhibiting a large dipole moment can be detected through the activation of optically inaccessible (dark) excitonic states in absorption spectra of tungsten-based TMDs. In this paper, we investigate the molecule signatures in photoluminescence spectra in dependence of a number of different experimentally accessible quantities, such as excitation density, temperature, as well as molecular characteristics including the dipole moment and its orientation, molecule-TMD distance, molecular coverage, and distribution. We show that under certain optimal conditions even room-temperature detection of molecules can be achieved.

  12. Far-infrared spectra of mesoporous ZnS nanoparticles

    Science.gov (United States)

    Trajić, J.; Romčević, M.; Romčević, N.; Babić, B.; Matović, B.; Baláž, P.

    2016-07-01

    ZnS nanoparticles were synthesized mechanochemically by high-energy milling, with three different milling times (5 min, 10 min and 20 min). Nitrogen adsorption method was used for examining specific surface area and texture of obtained powders. It was found that all samples are completely mesoporous. The optical properties were studied by far-infrared spectroscopy at room temperature in spectral region of 50-600 cm-1. The analysis of the far-infrared reflectivity spectra was made by the fitting procedure. The dielectric function of ZnS nanoparticles is modeled as a mixture of homogenous spherical inclusions in air by the Maxwell-Garnet formula. In the analysis of the far-infrared reflection spectra, appearance of combined plasmon-LO phonon modes (CPPMs) with high phonon damping are observed, which causes decrease of coupled plasmon-phonon frequencies.

  13. The influence of particle size on infrared reflectance spectra

    Science.gov (United States)

    Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; Blake, Thomas A.; Johnson, Timothy J.; Richardson, Robert L.

    2014-06-01

    Reflectance spectra of solids are influenced by the absorption coefficient and index of refraction as well as particle size and morphology. In the infrared, spectral features may be observed as either maxima or minima: in general, the upwardgoing peaks in the reflectance spectrum result from surface scattering, which are rays that have reflected from the surface without penetration, whereas downward-going peaks result from either absorption or volume scattering, i.e. rays that have penetrated into the sample to be absorbed or refracted into the sample interior and are not reflected. The light signal reflected from solids usually encompasses all these effects which include dependencies on particle size, morphology and sample density. This paper measures the reflectance spectra in the 1.3 - 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to understand the effects on the spectral features as a function of the mean grain size of the sample. The bulk materials were ground and sieved to separate the samples into various size fractions: 0-45, 45-90, 90-180, 180-250, 250-500, and >500 microns. The directional-hemispherical spectra were recorded using a Fourier transform infrared spectrometer equipped with an integrating sphere to measure the reflectance for all of the particle-size fractions. We have studied both organic and inorganic materials, but this paper focuses on inorganic salts, NaNO3, in particular. Our studies clearly show that particle size has an enormous influence on the measured reflectance spectra for bulk materials and that successful identification requires sufficient representative reflectance data so as to include the particle size(s) of interest. Origins of the effects are discussed.

  14. The dynamic method for time-of-flight measurement of thermal neutron spectra from pulsed sources

    International Nuclear Information System (INIS)

    Pepyolyshev, Yu.N.; Chuklyaev, S.V.; Tulaev, A.B.; Bobrakov, V.F.

    1995-01-01

    A time-of-flight method for measurement of thermal neutron spectra in pulsed neutron sources with an efficiency more than 10 5 times higher than the standard method is described. The main problems associated with the electric current technique for time-of-flight spectra measurement are examined. The methodical errors, problems of special neutron detector design and other questions are discussed. Some experimental results for spectra from the surfaces of water and solid methane moderators obtained at the IBR-2 pulsed reactor (Dubna, Russia) are presented. (orig.)

  15. Statistical properties of Fermi GBM GRBs' spectra

    Science.gov (United States)

    Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt

    2018-03-01

    Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

  16. Handbook of Monochromatic XPS Spectra, Semiconductors

    Science.gov (United States)

    Crist, B. Vincent

    2000-10-01

    This handbook is one of three containing an invaluable collection of research grade XPS Spectra. Each handbook concentrates on a specific family of materials (the elements and their native oxides, semiconductors and polymers) and is entirely self-contained. The introductory section to each handbook includes comprehensive information about the XPS instrument used, the materials and the advanced methods used to collect the spectra. Energy resolution settings, instrument characteristics, energy referencing methods, traceability, energy scale calibration details and transmission function are all reported. Among the many valuable features included in each of these handbooks are: ? All spectra were measured by using AlK monochromatic X-rays ? All spectra were collected in a self-consistent manner to maximise data reliability and quality ? All peaks in the wide spectra are fully annotated and accompanied by detailed atom % tables that report BEs for each of the labelled peaks ? Each high-energy resolution spectrum is peak-fitted and accompanied by detailed tables containing binding energies, FWHMs and relative percentages. In this volume 'Semiconductors' are contained XPS Spectra from a wide range of semiconductive materials and related materials, a rare tool for scientists and analysts in this area. Exclusive features of this volume include: ? Binding energies are accurate to +/- 0.08eV ? Charge compensation was done with a flood-gun mesh-screen system ? Valence band spectra document the occupied density of states (DOS) and the fundamental electronic nature of the semi-conductive materials analysed ? Analyses were done: "as received", "freshly fractured in air", "ion etched" and "chemically treated" ? Alphabetically organised by chemical abbreviations for ease of locating each material This handbook is an invaluable reference for materials scientists and electrical engineers in industry, academia and government laboratories interested in the analysis of semiconductors

  17. Parametrization relating the fermionic mass spectra

    International Nuclear Information System (INIS)

    Kleppe, A.

    1993-01-01

    When parametrizing the fermionic mass spectra in terms of the unit matrix and a recursive matrix scrR 0 , which corresponds to an underlying scaling pattern in the mass spectra, each fermionic sector is characterized by three parameters: k, α, and R. Using the set of relations displayed by the parameters of the different sectors, it is possible to formulate a ''family Lagrangian'' which for each sector encompasses all the families. Relations between quark masses are furthermore deduced from these ''family Lagrangians.'' Using the relations between the parameters of the different charge sectors, it is also possible to ''derive'' the quark mass spectra from the (charged) leptonic mass spectrum

  18. Scaling properties of the transverse mass spectra

    International Nuclear Information System (INIS)

    Schaffner-Bielich, J.

    2002-01-01

    Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL's relativistic heavy-ion collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in m t . The transverse mass spectra for different centralities can be rescaled into each other. Finally, we demonstrate that m t -scaling is also present in proton-antiproton collider data and compare it to m t -scaling at RHIC. (orig.)

  19. Raman spectra of zinc phthalocyanine monolayers absorbed on glassy carbon and gold electrodes by application of a confocal Raman microspectrometer

    NARCIS (Netherlands)

    Palys-Staron, B.J.; Palys, B.J.; Puppels, G.J.; Puppels, G.J.; van den Ham, D.M.W.; van den Ham, D.M.W.; Feil, D.; Feil, D.

    1992-01-01

    Raman spectra of zinc phthalocyanine monolayers, adsorbed on gold and on glassy carbon surfaces (electrodes), are presented. These spectra have been recorded with the electrodes inside and outside an electrochemical cell filled with an aqueous electrolyte. A confocal Raman microspectrometer was

  20. Decomposition of spectra using maximum autocorrelation factors

    DEFF Research Database (Denmark)

    Larsen, Rasmus

    2001-01-01

    This paper addresses the problem of generating a low dimensional representation of the variation present in a set of spectra, e.g. reflection spectra recorded from a series of objects. The resulting low dimensional description may subseque ntly be input through variable selection schemes into cla......This paper addresses the problem of generating a low dimensional representation of the variation present in a set of spectra, e.g. reflection spectra recorded from a series of objects. The resulting low dimensional description may subseque ntly be input through variable selection schemes...... into classification or regression type analyses. A featured method for low dimensional representation of multivariate datasets is Hotellings principal components transform. We will extend the use of principal components analysis incorporating new information into the algorithm. This new information consists...

  1. Improved peak shape fitting in alpha spectra.

    Science.gov (United States)

    Pommé, S; Caro Marroyo, B

    2015-02-01

    Peak overlap is a recurrent issue in alpha-particle spectrometry, not only in routine analyses but also in the high-resolution spectra from which reference values for alpha emission probabilities are derived. In this work, improved peak shape formulae are presented for the deconvolution of alpha-particle spectra. They have been implemented as fit functions in a spreadsheet application and optimum fit parameters were searched with built-in optimisation routines. Deconvolution results are shown for a few challenging spectra with high statistical precision. The algorithm outperforms the best available routines for high-resolution spectrometry, which may facilitate a more reliable determination of alpha emission probabilities in the future. It is also applicable to alpha spectra with inferior energy resolution. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

  2. LARSON FTS SPECTRA V1.0

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set contains 107 asteroid spectra obtained between the years 1975 and 1982 inclusive, with the infrared fourier transform spectrometer (FTS) of H. P....

  3. Power spectra of currents off Bombay

    Digital Repository Service at National Institute of Oceanography (India)

    Varkey, M.J.

    Current measurements were carried out using a recording current meter across the continental shelf off Bombay, Maharashtra, India at 4 stations from an anchored ship. Power spectra were computed for selected lengths of records. Spectral energy...

  4. Improved peak shape fitting in alpha spectra

    OpenAIRE

    POMME Stefaan; CARO MARROYO BELEN

    2014-01-01

    Peak overlap is a recurrent issue ina lpha-particle spectrometry, not only in routine analyses but also in the high-resolution spectra from which reference values for alpha emission probabilities are derived. In this work, improved peak shape formulae are presented for the deconvolution of alpha-particle spectra. They have been implemented as fit functions in a spreadsheet application and optimum fit parameters were searched with built-in optimisation routines. Deconvolution results are shown...

  5. Diffuse emission and pathological Seyfert spectra

    Science.gov (United States)

    Halpern, Jules P.

    1995-01-01

    In this annual ROSAT status report, the diffuse emission and spectra from Seyfert galaxies are examined. Three papers are presented and their contents include the soft x-ray properties and spectra of a binary millisecond pulsar, the PSPC and HRI observations of a Starburst/Seyfert 2 Galaxy, and an analysis of the possibility of x-ray luminous starbursts in the Einstein Medium Sensitivity Survey.

  6. Collective spectra along the fission barrier

    OpenAIRE

    Pigni M. T.; Andreev A. V.; Shneidman T. M.; Massimi C.; Vannini G.; Ventura A.

    2012-01-01

    Discrete and continuous spectra of fissioning nuclei at the humps of fission barriers (Bohr transition states) and in the intermediate wells (superdeformed and hyperdeformed states) play a key role in the calculation of fission cross sections. A theoretical evaluation of the collective parts of the spectra is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two–cluster co...

  7. Trigonometric Polynomials For Estimation Of Spectra

    Science.gov (United States)

    Greenhall, Charles A.

    1990-01-01

    Orthogonal sets of trigonometric polynomials used as suboptimal substitutes for discrete prolate-spheroidal "windows" of Thomson method of estimation of spectra. As used here, "windows" denotes weighting functions used in sampling time series to obtain their power spectra within specified frequency bands. Simplified windows designed to require less computation than do discrete prolate-spheroidal windows, albeit at price of some loss of accuracy.

  8. Generation of synthetic gamma spectra with MATLAB

    International Nuclear Information System (INIS)

    Palmerio, Julian J.; Coppo, Anibal D.

    2009-01-01

    Objectives: The aim of this work is the simulation of gamma spectra using the MATLAB program to generate the calibration curves in efficiency, which will be used to measure radioactive waste in drums. They are necessary for the proper characterization of these drums. A Monte Carlo simulation was basically developed with the random number generator Mersenne Twister and nuclear data obtained from NIST. This paper shows the results obtained and difficulties encountered until today. The physical correction of the simulated spectra has been the only aspect we have been working, up to this moment. Procedures: A simplified representation of the 'Laboratorio de Verificacion y Control de la Calidad' was chosen. Drums with cemented liquid waste are routinely measured in this laboratory. The commercial program MCNP was also used to get a valid reference in the field of simulation of spectra. We analyzed the spectra obtained by MATLAB in the light of classical literature photon detection and the spectrum obtained by MCNP. Conclusions: Currently the program developed seems adequate to simulate a measurement in the 'Laboratorio de Verificacion y Control de la Calidad'. The spectra obtained by MATLAB seem to physically represent what is observed in real spectra. However, it is a slow program. The current development efforts are directed to improve the speed of simulation. An alternative is to use the CUDA language for NVIDIA video cards to parallelized the simulation. An adequate simulation of the electronic measuring chain is also needed to obtain better representations of the shapes of the peaks. (author)

  9. Identifying Broadband Rotational Spectra with Neural Networks

    Science.gov (United States)

    Zaleski, Daniel P.; Prozument, Kirill

    2017-06-01

    A typical broadband rotational spectrum may contain several thousand observable transitions, spanning many species. Identifying the individual spectra, particularly when the dynamic range reaches 1,000:1 or even 10,000:1, can be challenging. One approach is to apply automated fitting routines. In this approach, combinations of 3 transitions can be created to form a "triple", which allows fitting of the A, B, and C rotational constants in a Watson-type Hamiltonian. On a standard desktop computer, with a target molecule of interest, a typical AUTOFIT routine takes 2-12 hours depending on the spectral density. A new approach is to utilize machine learning to train a computer to recognize the patterns (frequency spacing and relative intensities) inherit in rotational spectra and to identify the individual spectra in a raw broadband rotational spectrum. Here, recurrent neural networks have been trained to identify different types of rotational spectra and classify them accordingly. Furthermore, early results in applying convolutional neural networks for spectral object recognition in broadband rotational spectra appear promising. Perez et al. "Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer." Chem. Phys. Lett., 2013, 571, 1-15. Seifert et al. "AUTOFIT, an Automated Fitting Tool for Broadband Rotational Spectra, and Applications to 1-Hexanal." J. Mol. Spectrosc., 2015, 312, 13-21. Bishop. "Neural networks for pattern recognition." Oxford university press, 1995.

  10. MEASUREMENTS OF STELLAR MAGNETIC FIELDS USING AUTOCORRELATION OF SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Borra, E. F.; Deschatelets, D. [Département de physique, de génie physique et d’optique. Université Laval (Canada)

    2015-11-15

    We present a novel technique that uses the autocorrelation of the spectrum of a star to measure the line broadening caused by the modulus of its average surface magnetic field. The advantage of the autocorrelation comes from the fact that it can detect very small spectral line broadening effects because it averages over many spectral lines and therefore gives an average with a very high signal-to-noise ratio. We validate the technique with the spectra of known magnetic stars and obtain autocorrelation curves that are in full agreement with published magnetic curves obtained with Zeeman splitting. The autocorrelation also gives less noisy curves so that it can be used to obtain very accurate curves. We degrade the resolution of the spectra of these magnetic stars to lower spectral resolutions where the Zeeman splitting is undetectable. At these resolutions, the autocorrelation still gives good quality curves, thereby showing that it can be used to measure magnetic fields in spectra where the Zeeman splitting is significantly smaller than the width of the spectral line. This would therefore allow observing magnetic fields in very faint Ap stars with low-resolution spectrographs, thereby greatly increasing the number of known magnetic stars. It also demonstrates that the autocorrelation can measure magnetic fields in rapidly rotating stars as well as weak magnetic fields that give a Zeeman splitting smaller than the intrinsic width of the spectral lines. Finally, it shows that the autocorrelation can be used to find unknown magnetic stars in low-resolution spectroscopic surveys.

  11. Structure, spectra and stability of a tetrafluoromethane-water complex.

    Science.gov (United States)

    Mierzwicki, Krzysztof; Mielke, Zofia; Sałdyka, Magdalena; Coussan, Stephane; Roubin, Pascale

    2008-03-07

    The complex formed between water and tetrafluoromethane has been studied by infrared matrix isolation spectroscopy and ab initio calculations. The geometries of the CF4-H2O complexes were optimized in two steps at the MP2/aug-cc-pVTZ level of theory. The structure found at this level was reoptimized on the CP-corrected potential energy surface. The interaction energy was partitioned according to the SAPT scheme and the topological analysis of the electron density was performed. The optimized structure corresponds to the nonhydrogen bonded complex with an oxygen atom of water oriented toward the carbon atom of CF4. The infrared spectra of CF4-H2O /Ne(Ar) matrices demonstrate the presence of a well defined CF4-H2O structure in accord with theoretical prediction. Two complex vibrations were identified in the spectra of neon matrices and four vibrations were observed in the spectra of argon matrices. The available experimental data are in accord with the CP-corrected calculated data.

  12. Simultaneous in-bore rail and insulator spectra from a railgun plasma armature

    International Nuclear Information System (INIS)

    Keefer, D.; Sedghinasah, A.; Crawford, R.

    1991-01-01

    This paper reports on absolute spectral radiance measurements obtained simultaneously at the rail and insulator surface of the UTSI 1 cm square-bore railgun. The emission spectra were obtained through the use of quartz optical fibers which penetrated both the rail and the insulator walls. The spectral characteristics of the rail and insulator emission are quite similar but differ significantly in magnitude. A detailed plasma radiation model was used to analyze these spectra. In order to obtain reasonable agreement between the model predictions and the experimental spectra, it was necessary to assume that these existed a broadband absorbing layer at the insulator surface. This result suggests a new physical model of the plasma armature in which insulator ablation leads to significant 3-dimensional flow and affects the shape of the current emission pattern on the rail surfaces

  13. Engaging students in astronomy and spectroscopy through Project SPECTRA!

    Science.gov (United States)

    Wood, E. L.

    2011-12-01

    Computer simulations for minds-on learning with "Project Spectra!" How do we gain information about the Sun? How do we know Mars has CO2 or that Enceladus has H2O geysers? How do we use light in astronomy? These concepts are something students and educators struggle with because they are abstract. Using simulations and computer interactives (games) where students experience and manipulate the information makes concepts accessible. Visualizing lessons with multi-media solidifies understanding and retention of knowledge and is completely unlike its paper-and-pencil counterpart. Visualizations also enable teachers to forgo purchasing expensive laboratory equipment. "Project Spectra!" is a science and engineering program that uses computer-based Flash interactives to expose students to astronomical spectroscopy and actual data in a way that is not possible with traditional in-class activities. To engage students in "Project Spectra!", students are given a mission, which connects them with the research at hand. Missions range from exploring remote planetary atmospheres and surfaces, experimenting with the Sun using different filters, or analyzing the soil of a remote planet. Additionally, students have an opportunity to learn about NASA missions, view movies, and see images connected with their mission, which is something that is not practical to do during a typical paper-and-pencil activity. Since students can choose what to watch and explore, the interactives accommodate a broad range of learning styles. Students can go back and forth through the interactives if they've missed a concept or wish to view something again. In the end, students are asked critical thinking questions and conduct web-based research. These interactives complement in-class Project SPECTRA! activities exploring applications of the electromagnetic spectrum.

  14. Comparison of Shuttle Imaging Radar-B ocean wave image spectra with linear model predictions based on aircraft measurements

    Science.gov (United States)

    Monaldo, Frank M.; Lyzenga, David R.

    1988-01-01

    During October 1984, coincident Shuttle Imaging Radar-B synthetic aperture radar (SAR) imagery and wave measurements from airborne instrumentation were acquired. The two-dimensional wave spectrum was measured by both a radar ocean-wave spectrometer and a surface-contour radar aboard the aircraft. In this paper, two-dimensional SAR image intensity variance spectra are compared with these independent measures of ocean wave spectra to verify previously proposed models of the relationship between such SAR image spectra and ocean wave spectra. The results illustrate both the functional relationship between SAR image spectra and ocean wave spectra and the limitations imposed on the imaging of short-wavelength, azimuth-traveling waves.

  15. Thermal Emission Spectra of Phobos, Vesta, Ceres, and Pallas: A Comparison

    Science.gov (United States)

    Roush, Ted; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    Ultraviolet, visual, and near-infrared spectra of Phobos, obtained by Mariner 9 and Viking Orbiters, were interpreted to suggest a compositional similarity with carbonaceous chrondrites. Such a composition would be inconsistent with the moon's origin in the proto-Mars region, as Mars is composed chiefly of differentiated silicates. This interpretation was used to suggest that the moons originated in the main-asteroid belt, with subsequent capture and orbital evolution into their current locations. Interpretations of more recent visual and near-infrared spectra, obtained by Phobos-2 and Mars Pathfinder, have demonstrated that the Phobos spectrum is more similar to spectra of other classes of asteroids and lunar soils. If lunar mare soil is the correct analogy, then such a composition suggests a formation of Phobos from materials similar to that on Mars, i.e. basalts, and would not require a dynamically difficult capture and orbital evolution. During the science phasing orbits of the Mars Global Surveyor mission Thermal Emission Spectrometer (TES) observations of Phobos were acquired at each of four encounters. The spectral variability observed for localized surface regions on Phobos has been previously reported and is greatest near the northern wall of Stickney crater. Interpretation of the thermal infrared spectra of airless bodies, based upon most existing laboratory measurements, is complicated by the absence of interstitial gases on the celestial objects that would act to minimize potential thermal gradients in the upper layers of the surface. As an aid to interpretation of the TES Phobos spectra are compared to telescopic and airborne thermal infrared spectra of asteroids from several classes, including Ceres (G), Pallas (B), and Vesta (V). The asteroid spectra provide a direct analogy to the physical situation encountered at the surface of Phobos, albeit different thermal gradients may exist for each surface. This work is supported by NASA RTOP's 344

  16. Simulation of attenuated total reflection infrared absorbance spectra: applications to automotive clear coat forensic analysis.

    Science.gov (United States)

    Lavine, Barry K; Fasasi, Ayuba; Mirjankar, Nikhil; Nishikida, Koichi; Campbell, Jay

    2014-01-01

    Attenuated total reflection (ATR) is a widely used sampling technique in infrared (IR) spectroscopy because minimal sample preparation is required. Since the penetration depth of the ATR analysis beam is quite shallow, the outer layers of a laminate or multilayered paint sample can be preferentially analyzed with the entire sample intact. For this reason, forensic laboratories are taking advantage of ATR to collect IR spectra of automotive paint systems that may consist of three or more layers. However, the IR spectrum of a paint sample obtained by ATR will exhibit distortions, e.g., band broadening and lower relative intensities at higher wavenumbers, compared with its transmission counterpart. This hinders library searching because most library spectra are measured in transmission mode. Furthermore, the angle of incidence for the internal reflection element, the refractive index of the clear coat, and surface contamination due to inorganic contaminants can profoundly influence the quality of the ATR spectrum obtained for automotive paints. A correction algorithm to allow ATR spectra to be searched using IR transmission spectra of the paint data query (PDQ) automotive database is presented. The proposed correction algorithm to convert transmission spectra from the PDQ library to ATR spectra is able to address distortion issues such as the relative intensities and broadening of the bands, and the introduction of wavelength shifts at lower frequencies, which prevent library searching of ATR spectra using archived IR transmission data.

  17. Background noise spectra of global seismic stations

    Energy Technology Data Exchange (ETDEWEB)

    Wada, M.M.; Claassen, J.P.

    1996-08-01

    Over an extended period of time station noise spectra were collected from various sources for use in estimating the detection and location performance of global networks of seismic stations. As the database of noise spectra enlarged and duplicate entries became available, an effort was mounted to more carefully select station noise spectra while discarding others. This report discusses the methodology and criteria by which the noise spectra were selected. It also identifies and illustrates the station noise spectra which survived the selection process and which currently contribute to the modeling efforts. The resulting catalog of noise statistics not only benefits those who model network performance but also those who wish to select stations on the basis of their noise level as may occur in designing networks or in selecting seismological data for analysis on the basis of station noise level. In view of the various ways by which station noise were estimated by the different contributors, it is advisable that future efforts which predict network performance have available station noise data and spectral estimation methods which are compatible with the statistics underlying seismic noise. This appropriately requires (1) averaging noise over seasonal and/or diurnal cycles, (2) averaging noise over time intervals comparable to those employed by actual detectors, and (3) using logarithmic measures of the noise.

  18. Optimum x-ray spectra for mammography.

    Science.gov (United States)

    Beaman, S A; Lillicrap, S C

    1982-10-01

    A number of authors have calculated x-ray energies for mammography using, as a criterion, the maximum signal-to-noise ratio (SNR) obtainable per unit dose to the breast or conversely the minimum exposure for constant SNR. The predicted optimum energy increases with increasing breast thickness. Tungsten anode x-ray spectra have been measured with and without various added filter materials to determine how close the resultant spectra can be brought to the predicted optimum energies without reducing the x-ray output to unacceptable levels. The proportion of the total number of x-rays in a measured spectrum lying within a narrow energy band centred on the predicted optimum has been used as an optimum energy index. The effect of various filter materials on the measured x-ray spectra has been investigated both experimentally and theoretically. The resulting spectra have been compared with molybdenum anode, molybdenum filtered x-ray spectra normally used for mammography. It is shown that filters with K-absorption edges close to the predicted optimum energies are the most effective at producing the desired spectral shape. The choices of filter thickness and Vp are also explored in relationship to their effect on the resultant x-ray spectral shape and intensity.

  19. Seismic spectra of events at regional distances

    International Nuclear Information System (INIS)

    Springer, D.L.; Denny, M.D.

    1976-01-01

    About 40 underground nuclear explosions detonated at the Nevada Test Site (NTS) were chosen for analysis of their spectra and any relationships they might have to source parameters such as yield, depth of burial, etc. The sample covered a large yield range (less than 20 kt to greater than 1 Mt). Broadband (0.05 to 20 Hz) data recorded by the four-station seismic network operated by Lawrence Livermore Laboratory were analyzed in a search for unusual explosion signatures in their spectra. Long time windows (total wave train) as well as shorter windows (for instance, P/sub n/) were used as input to calculate the spectra. Much variation in the spectra of the long windows is typical although some gross features are similar, such as a dominant peak in the microseismic window. The variation is such that selection of corner frequencies is impractical and yield scaling could not be determined. Spectra for one NTS earthquake showed more energy in the short periods (less than 1 sec) as well as in the long periods (greater than 8 sec) compared to those for NTS explosions

  20. Consistency of the minimal supersymmetric GUT spectra

    International Nuclear Information System (INIS)

    Aulakh, Charanjit S.

    2005-01-01

    We show that with proper accounting of convention-dependent phases the mass spectra evaluated by us in an earlier paper satisfy the trace, SU(5) reassembly and Goldstone counting consistency checks. Phase accounting shows that the transposition symmetry called Hermiticity will be manifest only if signs arising from the product of six phase factors are reinserted. This uncovers the errors in the claims of others (retracted in subsequent work) concerning the inconsistency of our results. The chiral multiplet spectra of the two calculations are equivalent. However our method also gives all gauge and gauge chiral spectra as well as a decomposition of all SO(10) minimal supersymmetric grand unified theory couplings, for both tensors and spinors, which are unavailable, even in principle, using the methods of the above papers

  1. Collective spectra along the fission barrier

    Directory of Open Access Journals (Sweden)

    Pigni M. T.

    2012-12-01

    Full Text Available Discrete and continuous spectra of fissioning nuclei at the humps of fission barriers (Bohr transition states and in the intermediate wells (superdeformed and hyperdeformed states play a key role in the calculation of fission cross sections. A theoretical evaluation of the collective parts of the spectra is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two–cluster configurations in a dynamical way, permitting exchange of upper–shell nucleons between clusters. The impact of theoretical spectra on neutron–induced fission cross sections and, in combination with an improved version of the scission–point model, on angular distribution of fission fragments is evaluated for plutonium isotopes of interest to nuclear energy applications.

  2. Collective spectra along the fission barrier

    Science.gov (United States)

    Shneidman, T. M.; Andreev, A. V.; Pigni, M. T.; Massimi, C.; Vannini, G.; Ventura, A.

    2012-12-01

    Discrete and continuous spectra of fissioning nuclei at the humps of fission barriers (Bohr transition states) and in the intermediate wells (superdeformed and hyperdeformed states) play a key role in the calculation of fission cross sections. A theoretical evaluation of the collective parts of the spectra is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two-cluster configurations in a dynamical way, permitting exchange of upper-shell nucleons between clusters. The impact of theoretical spectra on neutron-induced fission cross sections and, in combination with an improved version of the scission-point model, on angular distribution of fission fragments is evaluated for plutonium isotopes of interest to nuclear energy applications.

  3. Tunneling spectra of graphene on copper unraveled

    DEFF Research Database (Denmark)

    Zhang, Xin; Stradi, Daniele; Liu, Lei

    2016-01-01

    mechanisms, etc. The interpretation of the spectra can be complicated, however. Specifically for graphene grown on copper, there have been conflicting reports of tunneling spectra. A clear understanding of the mechanisms behind the variability is desired. In this work, we have revealed that the root cause...... of the variability in tunneling spectra is the variation in graphene-substrate coupling under various experimental conditions, providing a salutary perspective on the important role of 2D material-substrate interactions. The conclusions are drawn from measured data and theoretical calculations for monolayer, AB......-stacked bilayer, and twisted bilayer graphene coexisting on the same substrates in areas with and without intercalated oxygen, demonstrating a high degree of consistency. The Van Hove singularities of the twisted graphene unambiguously indicate the Dirac energy between them, lending strong evidence to our...

  4. FAST INVERSION OF SOLAR Ca II SPECTRA

    International Nuclear Information System (INIS)

    Beck, C.; Choudhary, D. P.; Rezaei, R.; Louis, R. E.

    2015-01-01

    We present a fast (<<1 s per profile) inversion code for solar Ca II lines. The code uses an archive of spectra that are synthesized prior to the inversion under the assumption of local thermodynamic equilibrium (LTE). We show that it can be successfully applied to spectrograph data or more sparsely sampled spectra from two-dimensional spectrometers. From a comparison to a non-LTE inversion of the same set of spectra, we derive a first-order non-LTE correction to the temperature stratifications derived in the LTE approach. The correction factor is close to unity up to log τ ∼ –3 and increases to values of 2.5 and 4 at log τ = –6 in the quiet Sun and the umbra, respectively

  5. Surface passivation and carrier selectivity of the thermal-atomic-layer-deposited TiO2 on crystalline silicon

    Science.gov (United States)

    Plakhotnyuk, Maksym M.; Schüler, Nadine; Shkodin, Evgeniy; Ammapet Vijayan, Ramachandran; Masilamani, Sangaravadivel; Varadharajaperumal, Muthubalan; Crovetto, Andrea; Hansen, Ole

    2017-08-01

    Here, we demonstrate the use of an ultrathin TiO2 film as a passivating carrier-selective contact for silicon photovoltaics. The effective lifetime, surface recombination velocity, and diode quality dependence on TiO2 deposition temperature with and without a thin tunneling oxide interlayer (SiO2 or Al2O3) on p-type crystalline silicon (c-Si) are reported. 5-, 10-, and 20-nm-thick TiO2 films were deposited by thermal atomic layer deposition (ALD) in the temperature range of 80-300 °C using titanium tetrachloride (TiCl4) and water. TiO2 thin-film passivation layers alone result in a lower effective carrier lifetime compared with that with an interlayer. However, SiO2 and Al2O3 interlayers enhance the TiO2 passivation of c-Si surfaces. Further annealing at 200 °C in N2 gas enhances the surface passivation quality of TiO2 tremendously. From these findings, design principles for TiO2-Si heterojunction with optimized photovoltage, interface quality, and electron extraction to maximize the photovoltage of TiO2-Si heterojunction photovoltaic cells are formulated. Diode behaviour was analysed with the help of experimental, analytical, and simulation methods. It is predicted that TiO2 with a high carrier concentration is a preferable candidate for high-performance solar cells. The possible reasons for performance degradation in those devices with and without interlayers are also discussed.

  6. BETA SPECTRA. I. Negatrons spectra; ESPECTROS BETA. I. Espectros simples de negatrones

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Garcia-Torano, E.

    1978-07-01

    Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

  7. Effects of surface preparation on the properties of metal/CdTe junctions

    International Nuclear Information System (INIS)

    Werthen, J.G.; Haering, J.; Fahrenbruch, A.L.; Bube, R.H.

    1983-01-01

    The effects of surface preparation on the properties of single crystal CdTe junctions have been investigated through characterization of metal/CdTe junctions. Oriented surfaces include air-cleaved (110) surfaces, bromine-in-methanol etched (110) and (111) surfaces, and bromine-in-methanol etched surfaces subjected to a hydrogen heat treatment. Surface photovoltage measurements of the surfaces indicate larger band bending on the etched surfaces than on the cleaved and heat treated surfaces. X-ray photoelectron spectroscopy analysis verifies that excess Te remains after bromine-in-methanol etching and that cleaving leaves a stoichiometric surface. Hydrogen heat treatment of an etched CdTe surface restores a stoichiometric cleaved-like surface from that altered by the etching process. The barrier height for metal/CdTe junctions formed on cleaved surfaces depends on metal work function and reaches 0.99 V in an Al/CdTe junction and 0.87 V in a Cr/CdTe junction. Junctions formed with different metals on etched (110) surfaces result in barrier heights of 0.55--0.65 V with no dependence of the barrier height on the metal work function being observed, due to the presence of an etch-induced layer that partially governs the properties the surface. Heat treatment of an etched surface results in metal/CdTe junctions with characteristics similar to those of junctions formed on cleaved surfaces, and dependence of barrier height on metal work function is again observed, indicating the removal of an etch-induced layer by the heat treatment and the production of a junction similar to that on the cleaved surface

  8. Parallel Genetic Algorithm for Alpha Spectra Fitting

    Science.gov (United States)

    García-Orellana, Carlos J.; Rubio-Montero, Pilar; González-Velasco, Horacio

    2005-01-01

    We present a performance study of alpha-particle spectra fitting using parallel Genetic Algorithm (GA). The method uses a two-step approach. In the first step we run parallel GA to find an initial solution for the second step, in which we use Levenberg-Marquardt (LM) method for a precise final fit. GA is a high resources-demanding method, so we use a Beowulf cluster for parallel simulation. The relationship between simulation time (and parallel efficiency) and processors number is studied using several alpha spectra, with the aim of obtaining a method to estimate the optimal processors number that must be used in a simulation.

  9. Virtual photon spectra for finite nuclei

    International Nuclear Information System (INIS)

    Wolynec, E.; Martins, M.N.

    1988-01-01

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

  10. High resolution emission spectra of TL materials

    Energy Technology Data Exchange (ETDEWEB)

    Vilaithong, T.; Wanwilairat, S.; Rhodes, M.; Hoffmann, W.; Messarius, T

    2002-07-01

    High resolution emission spectra of several TL materials that are commonly used in dosimetry, were measured using a low cost fibre optic spectrometer containing a 2048 pixel CCD array. The spectra were taken from 177 to 890 nm with a wavelength resolution of 1.3 nm. This allowed for line width discrimination and the resolution of transitions that have not been seen so far. For rare earth doped materials like CaF{sub 2}:Tm (TLD-300) and CaF{sub 2}:Dy (TLD-200) the spectral lines were compared to the energy levels measured by Dieke and Crosswhite leading to the identification of most of the transition lines. (author)

  11. Algorithms for classification of astronomical object spectra

    Science.gov (United States)

    Wasiewicz, P.; Szuppe, J.; Hryniewicz, K.

    2015-09-01

    Obtaining interesting celestial objects from tens of thousands or even millions of recorded optical-ultraviolet spectra depends not only on the data quality but also on the accuracy of spectra decomposition. Additionally rapidly growing data volumes demands higher computing power and/or more efficient algorithms implementations. In this paper we speed up the process of substracting iron transitions and fitting Gaussian functions to emission peaks utilising C++ and OpenCL methods together with the NOSQL database. In this paper we implemented typical astronomical methods of detecting peaks in comparison to our previous hybrid methods implemented with CUDA.

  12. Electronic absorption spectra of antiviral aminophenol derivatives

    Science.gov (United States)

    Belkov, M. V.; Ksendzova, G. A.; Raichyonok, T. F.; Skornyakov, I. V.; Sorokin, V. L.; Tolstorozhev, G. B.; Shadyro, O. I.

    2011-03-01

    Electronic absorption spectra of aminophenol derivatives in solutions have been studied. A general property of the absorption spectra of these compounds, the dependence of the maximum of a long-wavelength absorption band on the solvent polarity, is revealed. As a rule, the absorption band maximum of compounds possessing pharmacological properties shows a greater shift to short wavelength with an increase in the medium polarity than that of inactive compounds. Absorption measurements of solutions of aminophenol derivatives can be used for a tentative estimation of their antiviral activity.

  13. Nonlinear FMR spectra in yttrium iron garnet

    Directory of Open Access Journals (Sweden)

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

    2015-12-01

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

  14. Gravitational effects on planetary neutron flux spectra

    Science.gov (United States)

    Feldman, W. C.; Drake, D. M.; O'Dell, R. D.; Brinkley, F. W., Jr.; Anderson, R. C.

    1989-01-01

    The effects of gravity on the planetary neutron flux spectra for planet Mars, and the lifetime of the neutron, were investigated using a modified one-dimensional diffusion accelerated neutral-particle transport code, coupled with a multigroup cross-section library tailored specifically for Mars. The results showed the presence of a qualitatively new feature in planetary neutron leakage spectra in the form of a component of returning neutrons with kinetic energies less than the gravitational binding energy (0.132 eV for Mars). The net effect is an enhancement in flux at the lowest energies that is largest at and above the outermost layer of planetary matter.

  15. Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra

    International Nuclear Information System (INIS)

    Katakura, J.; England, T.R.

    1991-11-01

    Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs

  16. From plasmon spectra of metallic to vibron spectra of dielectric nanoparticles.

    Science.gov (United States)

    Preston, Thomas C; Signorell, Ruth

    2012-09-18

    Light interacts surprisingly differently with small particles than with bulk or gas phase materials. This can cause rare phenomena such as the occurence of a "blue moon". Spectroscopic particle phenomena of similar physical origin have also spawned countless applications ranging from remote sensing to medicine. Despite the broad interest in particle spectra, their interpretation still poses many challenges. In this Account, we discuss the challenges associated with the analysis of infrared, or vibron, extinction spectra of small dielectric particles. The comparison with the more widely studied plasmon spectra of metallic nano-particles reveals many common features. The shape, size, and architecture of particles influence the band profiles in vibron and plasmon spectra in similar ways. However, the molecular structure of dielectric particles produces infrared spectral features that are more diverse and detailed or even unique to vibron spectra. More complexity means higher information content, but that also makes the spectra more difficult to interpret. Conventional models such as classical electromagnetic theory with a continuum description of the wavelength-dependent optical constants are often no longer applicable to these spectra. In cases where accurate optical constants are not available and for ultrafine particles, where the molecular structure and quantum effects become essential, researchers must resort to molecular models for light-particle interaction that do not require the prior knowledge of optical constants. In this Account, we illustrate how vibrational exciton approaches combined with molecular dynamics simulations and solid-state density functional calculations provide a viable solution to these challenges. Molecular models reveal two important characteristics of vibron spectra of small molecularly structured particles. The band profiles in vibron spectra are largely determined by transition dipole coupling between the molecules in a particle

  17. High resolution autoionization spectra in atomic uranium

    Energy Technology Data Exchange (ETDEWEB)

    Paisner, J.A.; Solarz, R.W.; Carlson, L.R.; May, C.A.; Johnson, S.A.

    1975-11-17

    High resolution (less than or equal to .5 cm/sup -1/) autoionization spectra of atomic uranium has been observed from newly identified odd parity levels between 32,660 and 34,165 cm/sup -1/. Photoionization cross sections are presented.

  18. Generalized pattern spectra sensitive to spatial information

    NARCIS (Netherlands)

    Wilkinson, MHF; Kasturi, R; Laurendeau, D; Suen, C

    2002-01-01

    Morphological pattern spectra computed from granulometrics are frequently used to classify the size classes of details in textures and images. An extension of this technique, which retains information on the spatial distribution of the details in each size class is developed. Algorithms for

  19. Oxidation of carbynes: signatures in infrared spectra

    NARCIS (Netherlands)

    Cinquanta, Eugenio; Manini, Nicola; Ravagnan, Luca; Caramella, Lucia; Onida, Giovanni; Milani, Paolo; Rudolf, Petra

    2014-01-01

    We report and solidly interpret the infrared spectrum of both pristine and oxidized carbynes embedded in a pure-carbon matrix. The spectra probe separately the effects of oxidation on sp- and on sp 2-hybridized carbon, and provide information on the stability of the different structures in an

  20. Students' Mental Models of Atomic Spectra

    Science.gov (United States)

    Körhasan, Nilüfer Didis; Wang, Lu

    2016-01-01

    Mental modeling, which is a theory about knowledge organization, has been recently studied by science educators to examine students' understanding of scientific concepts. This qualitative study investigates undergraduate students' mental models of atomic spectra. Nine second-year physics students, who have already taken the basic chemistry and…

  1. RAMAN-SPECTRA OF HUMAN DENTAL CALCULUS

    NARCIS (Netherlands)

    TSUDA, H; ARENDS, J

    1993-01-01

    Raman spectra of human dental calculus have been observed for the first time by use of micro-Raman spectroscopy. The spectral features of calculus were influenced easily by heating caused by laser irradiation. Therefore, the measurements were carried out at relatively low power (5 mW, 1-mu m spot

  2. Polarization Spectra of Extrasolar Giant Planets

    NARCIS (Netherlands)

    Stam, D.M.

    2004-01-01

    We present simulated spectra of the flux and degree of polarization of starlight that is reflected by extrasolar giant planets (EGPs). In particular the polarization depends strongly on the structure of the planetary atmosphere, and appears to be a valuable tool for the characterization of EGPs.

  3. Discriminating Dysarthria Type from Envelope Modulation Spectra

    Science.gov (United States)

    Liss, Julie M.; LeGendre, Sue; Lotto, Andrew J.

    2010-01-01

    Purpose: Previous research demonstrated the ability of temporally based rhythm metrics to distinguish among dysarthrias with different prosodic deficit profiles (J. M. Liss et al., 2009). The authors examined whether comparable results could be obtained by an automated analysis of speech envelope modulation spectra (EMS), which quantifies the…

  4. Graphene assisted effective hole-extraction on In2O3:H/CH3NH3PbI3 interface: Studied by modulated surface spectroscopy

    Science.gov (United States)

    Vinoth Kumar, Sri Hari Bharath; Muydinov, Ruslan; Kol'tsova, Tat‘yana; Erfurt, Darja; Steigert, Alexander; Tolochko, Oleg; Szyszka, Bernd

    2018-01-01

    Charge separation in CH3NH3PbI3 (MAPbI3) films deposited on a hydrogen doped indium oxide (In2O3:H) photoelectrode was investigated by modulated surface photovoltage (SPV) spectroscopy in a fixed capacitor arrangement. It was found that In2O3:H reproducibly extracts photogenerated-holes from MAPbI3 films. The oxygen-plasma treatment of the In2O3:H surface is suggested to be a reason for this phenomenon. Introducing graphene interlayer increased charge separation nearly 6 times as compared to that on the In2O3:H/MAPbI3 interface. Furthermore, it is confirmed by SPV spectroscopy that the defects of the MAPbI3 interface are passivated by graphene.

  5. Savannah River Site disaggregated seismic spectra

    International Nuclear Information System (INIS)

    Stephenson, D.E.

    1993-02-01

    The objective of this technical note is to characterize seismic ground motion at the Savannah River Site (SRS) by postulated earthquakes that may impact facilities at the site. This task is accomplished by reviewing the deterministic and probabilistic assessments of the seismic hazard to establish the earthquakes that control the hazard to establish the earthquakes that control the hazard at the site and then evaluate the associated seismic ground motions in terms of response spectra. For engineering design criteria of earthquake-resistant structures, response spectra serve the function of characterizing ground motions as a function of period or frequency. These motions then provide the input parameters that are used in the analysis of structural response. Because they use the maximum response, the response spectra are an inherently conservative design tool. Response spectra are described in terms of amplitude, duration, and frequency content, and these are related to source parameters, travel path, and site conditions. Studies by a number of investigators have shown by statistical analysis that for different magnitudes the response spectrum values are different for differing periods. These facts support Jennings' position that using different shapes of design spectra for earthquakes of different magnitudes and travel paths is a better practice than employing a single, general-purpose shape. All seismic ground motion characterization results indicate that the PGA is controlled by a local event with M w < 6 and R < 30km. The results also show that lower frequencies are controlled by a larger, more distant event, typically the Charleston source. The PGA of 0.2 g, based originally on the Blume study, is consistent with LLNL report UCRL-15910 (1990) and with the DOE position on LLNL/EPRI

  6. Conformation and orientation effects in the x-ray photoelectron spectra of organic polymers

    International Nuclear Information System (INIS)

    Beamson, G.

    2001-01-01

    Conformation and orientation effects in the XPS spectra of organic polymers are small but can be observed with modem high performance equipment. This paper discusses some of the experimental factors that should be considered when attempting to detect such effects, and describes several recent studies which illustrate the subtle phenomena that can now be observed. Conformation effects, revealed by melting semicrystalline polymer samples in the analysis chamber of an XPS spectrometer, are reported for the valence band and C 1s spectra of nylon 12 and poly(ethylene adipate), and for the valence band spectrum of poly(ethylene succinate). For nylon 12 the changes in the C 2s region of the valence band spectrum are interpreted in terms of disordering of the planar zig-zag conformation of the (CH 2 ) 11 segments of the polymer chain. Pendant group surface orientation effects, detected by angle resolved XPS (with emission angles as low as 5 deg. relative to the sample surface), are reported for poly(2-chloroethyl methacrylate) (PCEMA), poly(lauryl methacrylate) (PLMA) and poly(2-hydroxyethyl methacrylate) (PHEMA). For PCEMA and PLMA the uppermost surfaces are enriched with -CH 2 CH 2 Cl and -(CH 2 ) 11 CH 3 pendant groups respectively, whereas for PHEMA the data suggest relatively few -CH 2 CH 2 OH pendant groups at the surface. The C 1s and Cl 2p spectra of PCEMA reveal surface core level binding energy shifts of - +0.2 eV, and the Cl L 23 M 23 M 23 spectrum a surface Auger kinetic energy shift of ∼ -0.6. The C 1s spectra of PLMA and PHEMA also reveal surface core level shifts and for PLMA this is interpreted in terms of a disordered and open arrangement of the -(CH 2 ) 11 CH 3 pendant groups at the polymer surface. (author)

  7. Modular "click" chemistry for electrochemically and photoelectrochemically active molecular interfaces to tin oxide surfaces.

    Science.gov (United States)

    Benson, Michelle C; Ruther, Rose E; Gerken, James B; Rigsby, Matthew L; Bishop, Lee M; Tan, Yizheng; Stahl, Shannon S; Hamers, Robert J

    2011-08-01

    We demonstrate the use of "click" chemistry to form electrochemically and photoelectrochemically active molecular interfaces to SnO(2) nanoparticle thin films. By using photochemical grafting to link a short-chain alcohol to the surface followed by conversion to a surface azide group, we enable use of the Cu(I)-catalyzed azide-alkyne [3 + 2] cycloaddition (CuAAC) reaction, a form of "click" chemistry, on metal oxide surfaces. Results are shown with three model compounds to test the surface chemistry and subsequent ability to achieve electrochemical and photoelectrochemical charge transfer. Surface-tethered ferrocene groups exhibit good electron-transfer characteristics with thermal rates estimated at >1000 s(-1). Time-resolved surface photovoltage measurements using a ruthenium terpyridyl coordination compound demonstrate photoelectron charge transfer on time scales of nanoseconds or less, limited by the laser pulse width. The results demonstrate that the CuAAC "click" reaction can be used to form electrochemically and photoelectrochemically active molecular interfaces to SnO(2) and other metal oxide semiconductors.

  8. Remote compositional analysis of lunar olivine-rich lithologies with Moon Mineralogy Mapper (M3) spectra

    Science.gov (United States)

    Isaacson, P.J.; Pieters, C.M.; Besse, S.; Clark, R.N.; Head, J.W.; Klima, R.L.; Mustard, J.F.; Petro, N.E.; Staid, M.I.; Sunshine, J.M.; Taylor, L.A.; Thaisen, K.G.; Tompkins, S.

    2011-01-01

    A systematic approach for deconvolving remotely sensed lunar olivine-rich visible to near-infrared (VNIR) reflectance spectra with the Modified Gaussian Model (MGM) is evaluated with Chandrayaan-1 Moon Mineralogy Mapper (M 3) spectra. Whereas earlier studies of laboratory reflectance spectra focused only on complications due to chromite inclusions in lunar olivines, we develop a systematic approach for addressing (through continuum removal) the prominent continuum slopes common to remotely sensed reflectance spectra of planetary surfaces. We have validated our continuum removal on a suite of laboratory reflectance spectra. Suites of olivine-dominated reflectance spectra from a small crater near Mare Moscoviense, the Copernicus central peak, Aristarchus, and the crater Marius in the Marius Hills were analyzed. Spectral diversity was detected in visual evaluation of the spectra and was quantified using the MGM. The MGM-derived band positions are used to estimate the olivine's composition in a relative sense. Spectra of olivines from Moscoviense exhibit diversity in their absorption features, and this diversity suggests some variation in olivine Fe/Mg content. Olivines from Copernicus are observed to be spectrally homogeneous and thus are predicted to be more compositionally homogeneous than those at Moscoviense but are of broadly similar composition to the Moscoviense olivines. Olivines from Aristarchus and Marius exhibit clear spectral differences from those at Moscoviense and Copernicus but also exhibit features that suggest contributions from other phases. If the various precautions discussed here are weighed carefully, the methods presented here can be used to make general predictions of absolute olivine composition (Fe/Mg content). Copyright ?? 2011 by the American Geophysical Union.

  9. Quasi-classical approaches to vibronic spectra revisited

    Science.gov (United States)

    Karsten, Sven; Ivanov, Sergei D.; Bokarev, Sergey I.; Kühn, Oliver

    2018-03-01

    The framework to approach quasi-classical dynamics in the electronic ground state is well established and is based on the Kubo-transformed time correlation function (TCF), being the most classical-like quantum TCF. Here we discuss whether the choice of the Kubo-transformed TCF as a starting point for simulating vibronic spectra is as unambiguous as it is for vibrational ones. Employing imaginary-time path integral techniques in combination with the interaction representation allowed us to formulate a method for simulating vibronic spectra in the adiabatic regime that takes nuclear quantum effects and dynamics on multiple potential energy surfaces into account. Further, a generalized quantum TCF is proposed that contains many well-established TCFs, including the Kubo one, as particular cases. Importantly, it also provides a framework to construct new quantum TCFs. Applying the developed methodology to the generalized TCF leads to a plethora of simulation protocols, which are based on the well-known TCFs as well as on new ones. Their performance is investigated on 1D anharmonic model systems at finite temperatures. It is shown that the protocols based on the new TCFs may lead to superior results with respect to those based on the common ones. The strategies to find the optimal approach are discussed.

  10. Infrared emission spectra of candidate interstellar aromatic molecules

    Science.gov (United States)

    Schlemmer, S.; Balucani, N.; Wagner, D. R.; Steiner, B.; Saykally, R. J.

    1996-01-01

    Interstellar dust is responsible, through surface reactions, for the creation of molecular hydrogen, the main component of the interstellar clouds in which new stars form. Intermediate between small, gas-phase molecules and dust are the polycyclic aromatic hydrocarbons (PAHs). Such molecules could account for 2-30% of the carbon in the Galaxy, and may provide nucleation sites for the formation of carbonaceous dust. Although PAHs have been proposed as the sources of the unidentified infrared emission bands that are observed in the spectra of a variety of interstellar sources, the emission characteristics of such molecules are still poorly understood. Here we report laboratory emission spectra of several representative PAHs, obtained in conditions approximating those of the interstellar medium, and measured over the entire spectral region spanned by the unidentified infrared bands. We find that neutral PAHs of small and moderate size can at best make only a minor contribution to these emission bands. Cations of these molecules, as well as much larger PAHs and their cations, remain viable candidates for the sources of these bands.

  11. Negative power spectra in quantum field theory

    International Nuclear Information System (INIS)

    Hsiang, Jen-Tsung; Wu, Chun-Hsien; Ford, L.H.

    2011-01-01

    We consider the spatial power spectra associated with fluctuations of quadratic operators in field theory, such as quantum stress tensor components. We show that the power spectrum can be negative, in contrast to most fluctuation phenomena where the Wiener-Khinchin theorem requires a positive power spectrum. We show why the usual argument for positivity fails in this case, and discuss the physical interpretation of negative power spectra. Possible applications to cosmology are discussed. -- Highlights: → Wiener-Khinchin theorem usually implies a positive power spectrum of fluctuations. → We show this is not always the case in quantum field theory. → Quantum stress tensor fluctuations can have a negative power spectrum. → Negative power interchanges correlations and anticorrelations.

  12. Interpreting peptide mass spectra by VEMS

    DEFF Research Database (Denmark)

    Mathiesen, Rune; Lundsgaard, M.; Welinder, Karen G.

    2003-01-01

    the calculated and the experimental mass spectrum of the called peptide. The program package includes four accessory programs. VEMStrans creates protein databases in FASTA format from EST or cDNA sequence files. VEMSdata creates a virtual peptide database from FASTA files. VEMSdist displays the distribution......Most existing Mass Spectra (MS) analysis programs are automatic and provide limited opportunity for editing during the interpretation. Furthermore, they rely entirely on publicly available databases for interpretation. VEMS (Virtual Expert Mass Spectrometrist) is a program for interactive analysis...... of peptide MS/MS spectra imported in text file format. Peaks are annotated, the monoisotopic peaks retained, and the b-and y-ion series identified in an interactive manner. The called peptide sequence is searched against a local protein database for sequence identity and peptide mass. The report compares...

  13. Remarks about the displaced spectra techniques

    International Nuclear Information System (INIS)

    Behringer, K.; Pineyro, J.

    1989-01-01

    In a recent paper a new method, called displaced spectra techniques, was presented for distinguishing between sinusoidal components and narrowband random noise contributions in otherwise random noise data. It is based on Fourier transform techniques, and uses the power spectral density (PSD) and a newly-introduced second-order displaced power spectra density (SDPSD) function. In order to distinguish between the two peak types, a validation criterion has been established. In this note, three topics are covered: a) improved numerical data for the validation criterion are given by using the refined estimation procedure of the PSD and SDPSD functions by the Welch method; b) the validation criterion requires the subtraction of the background below the peaks. A semiautomatic procedure is described; c) it was observed that peaks in the real part of the SDPSD function can be accompanied by fine structure phenomena which are unresolved in the PSD function. A few remarks are made about this problem. (author)

  14. EPR spectra of some irradiated polycrystalline perrhenate

    International Nuclear Information System (INIS)

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

    1978-10-01

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

  15. Raman spectra of deuteriated taurine single crystals

    Science.gov (United States)

    Souza, J. M. de; Lima, R. J. C.; Freire, P. T. C.; Sasaki, J. M.; Melo, F. E. A.; Filho, J. Mendes; Jones, Derry W.

    2005-05-01

    The polarized Raman spectra of partially deuteriated taurine [(ND 3+) 0.65(NH 3+) 0.35(CH 2) 2SO 3-] crystals from x( zz) x and x( zy) x scattering geometries of the A g and B g irreducible representations of the factor group C 2h are reported. The temperature-dependent Raman spectra of partially deuteriated taurine do not reveal any evidence of the structural phase transition undergone by normal taurine at about 250 K, but an anomaly observed in the 180 cm -1 band at ˜120 K implies a different dynamic for this band (which is involved in a pressure-induced phase transition) in the deuteriated crystal.

  16. Graphics of diffraction spectra for PC

    International Nuclear Information System (INIS)

    Macias B, L.R.

    1991-09-01

    The materials can be studied by means of diffraction if these are crystalline; of the type of study will depend the technique to apply, the first step is the obtaining of a digital register that allows to build the corresponding spectra. The digital register should have well-known the initial and final angular data. The main objective of this work, is starting of a digital register of data or an arrangement CPSi type (counts per second measured by the detection system) generated by means of the diffractometer, to create the graph of the corresponding spectra in visual form in the screen of a microcomputer and if is required, to obtain the graph in printed form by means of the same computer program for microcomputer. (Author)

  17. Strategies for Interpreting Two Dimensional Microwave Spectra

    Science.gov (United States)

    Martin-Drumel, Marie-Aline; Crabtree, Kyle N.; Buchanan, Zachary

    2017-06-01

    Microwave spectroscopy can uniquely identify molecules because their rotational energy levels are sensitive to the three principal moments of inertia. However, a priori predictions of a molecule's structure have traditionally been required to enable efficient assignment of the rotational spectrum. Recently, automated microwave double resonance spectroscopy (AMDOR) has been employed to rapidly generate two dimensional spectra based on transitions that share a common rotational level, which may enable automated extraction of rotational constants without any prior estimates of molecular structure. Algorithms used to date for AMDOR have relied on making several initial assumptions about the nature of a subset of the linked transitions, followed by testing possible assignments by "brute force." In this talk, we will discuss new strategies for interpreting AMDOR spectra, using eugenol as a test case, as well as prospects for library-free, automated identification of the molecules in a volatile mixture.

  18. Absorption spectra of AA-stacked graphite

    International Nuclear Information System (INIS)

    Chiu, C W; Lee, S H; Chen, S C; Lin, M F; Shyu, F L

    2010-01-01

    AA-stacked graphite shows strong anisotropy in geometric structures and velocity matrix elements. However, the absorption spectra are isotropic for the polarization vector on the graphene plane. The spectra exhibit one prominent plateau at middle energy and one shoulder structure at lower energy. These structures directly reflect the unique geometric and band structures and provide sufficient information for experimental fitting of the intralayer and interlayer atomic interactions. On the other hand, monolayer graphene shows a sharp absorption peak but no shoulder structure; AA-stacked bilayer graphene has two absorption peaks at middle energy and abruptly vanishes at lower energy. Furthermore, the isotropic features are expected to exist in other graphene-related systems. The calculated results and the predicted atomic interactions could be verified by optical measurements.

  19. Proposal and Evaluation of Subordinate Standard Solar Irradiance Spectra for Applications in Solar Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Habte, Aron M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Jessen, Wilko [German Aerospace Center (DLR); Wilbert, Stefan [German Aerospace Center (DLR); Gueymard, Christian A. [Solar Consulting Services; Polo, Jesus [CIEMAT; Bian, Zeqiang [China Meteorological Administration; Driesse, Anton [Photovoltaic Performance Labs; Marzo, Aitor [University of Antofagasta; Armstrong, Peter [Masdar Institute of Science & Technology; Vignola, Frank [University of Oregon; Ramirez, Lourdes [CIEMAT

    2018-04-01

    Reference solar irradiance spectra are needed to specify key parameters of solar technologies such as photovoltaic cell efficiency, in a comparable way. The IEC 60904-3 and ASTM G173 standards present such spectra for Direct Normal Irradiance (DNI) and Global Tilted Irradiance (GTI) on a 37 degrees tilted sun-facing surface for one set of clear-sky conditions with an air mass of 1.5 and low aerosol content. The IEC/G173 standard spectra are the widely accepted references for these purposes. Hence, the authors support the future replacement of the outdated ISO 9845 spectra with the IEC spectra within the ongoing update of this ISO standard. The use of a single reference spectrum per component of irradiance is important for clarity when comparing and rating solar devices such as PV cells. However, at some locations the average spectra can differ strongly from those defined in the IEC/G173 standards due to widely different atmospheric conditions and collector tilt angles. Therefore, additional subordinate standard spectra for other atmospheric conditions and tilt angles are of interest for a rough comparison of product performance under representative field conditions, in addition to using the main standard spectrum for product certification under standard test conditions. This simplifies the product selection for solar power systems when a fully-detailed performance analysis is not feasible (e.g. small installations). Also, the effort for a detailed yield analyses can be reduced by decreasing the number of initial product options. After appropriate testing, this contribution suggests a number of additional spectra related to eight sets of atmospheric conditions and tilt angles that are currently considered within ASTM and ISO working groups. The additional spectra, called subordinate standard spectra, are motivated by significant spectral mismatches compared to the IEC/G173 spectra (up to 6.5%, for PV at 37 degrees tilt and 10-15% for CPV). These mismatches

  20. Detection of climate forcing using emission spectra

    Science.gov (United States)

    Goody, Richard; Haskins, Robert; Abdou, Wedad; Chen, Luke

    1995-01-01

    We discuss the use of thermal emission spectra recorded by satellites to construct climate indices that can detect the evolution of a specific climate forcing in a time series. The two important issues are selectivity against climate forcings other than one that is sought, and sensitivity to the required forcing. We show that indices with selectivity can be found, and that their sensitivity can be high.

  1. GRETEL, Ge(Li) Gamma Spectra Unfolding

    International Nuclear Information System (INIS)

    1975-01-01

    1 - Nature of physical problem solved: The program performs the quantitative analysis of gamma-ray spectra obtained by Ge(Li) detectors, using special libraries which are prepared for each particular problem. 2 - Method of solution: The computer routines which detect and evaluate peak areas perform the following operations: - local smoothing of the spectrum; - first derivative of the smoothed spectrum, - peak location according to the change of sign of the first derivative; - computation of the net area of each peak found

  2. Reanalysis of Tyrannosaurus rex Mass Spectra.

    Science.gov (United States)

    Bern, Marshall; Phinney, Brett S; Goldberg, David

    2009-09-01

    Asara et al. reported the detection of collagen peptides in a 68-million-year-old Tyrannosaurus rex bone by shotgun proteomics. This finding has been called into question as a possible statistical artifact. We reanalyze Asara et al.'s tandem mass spectra using a different search engine and different statistical tools. Our reanalysis shows a sample containing common laboratory contaminants, soil bacteria, and bird-like hemoglobin and collagen.

  3. Reanalysis of Tyrannosaurus rex Mass Spectra

    Science.gov (United States)

    Bern, Marshall; Phinney, Brett S.; Goldberg, David

    2009-01-01

    Asara et al. reported the detection of collagen peptides in a 68-million-year-old T. rex bone by shotgun proteomics. This finding has been called into question as a possible statistical artifact. We reanalyze Asara et al.'s tandem mass spectra using a different search engine and different statistical tools. Our reanalysis shows a sample containing common laboratory contaminants, soil bacteria, and bird-like hemoglobin and collagen. PMID:19603827

  4. Dynamical analysis of highly excited molecular spectra

    Energy Technology Data Exchange (ETDEWEB)

    Kellman, M.E. [Univ. of Oregon, Eugene (United States)

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  5. Fourier evaluation of broad Moessbauer spectra

    International Nuclear Information System (INIS)

    Vincze, I.

    1981-01-01

    It is shown by the Fourier analysis of broad Moessbauer spectra that the even part of the distribution of the dominant hyperfine interaction (hyperfine field or quadrupole splitting) can be obtained directly without using least-square fitting procedures. Also the odd part of this distribution correlated with other hyperfine parameters (e.g. isomer shift) can be directly determined. Examples for amorphous magnetic and paramagnetic iron-based alloys are presented. (author)

  6. Digital dynamic amplitude-frequency spectra analyzer

    International Nuclear Information System (INIS)

    Kalinnikov, V.A.; )

    2006-01-01

    The spectra analyzer is intended for the dynamic spectral analysis of signals physical installations and noise filtering. The recurrence Fourier transformation algorithm is used in the digital dynamic analyzer. It is realized on the basis of the fast logic FPGA matrix and the special signal ADSP microprocessor. The discretization frequency is 2 kHz-10 MHz. The number of calculated spectral coefficients is not less 512. The functional fast-action is 20 ns [ru

  7. Understanding the baryon and meson spectra

    Energy Technology Data Exchange (ETDEWEB)

    Pennington, Michael R. [JLAB

    2013-10-01

    A brief overview is given of what we know of the baryon and meson spectra, with a focus on what are the key internal degrees of freedom and how these relate to strong coupling QCD. The challenges, experimental, theoretical and phenomenological, for the future are outlined, with particular reference to a program at Jefferson Lab to extract hadronic states in which glue unambiguously contributes to their quantum numbers.

  8. Variability in Optical Spectra of epsilon Orionis

    Science.gov (United States)

    Thompson, Gregory B.; Morrison, Nancy D.

    2013-04-01

    We present the results of a time series analysis of 130 échelle spectra of epsilon Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of Hα (net) and He I λ5876 were measured and radial velocities were obtained from the central absorption of He I λ5876. Temporal variance spectra (TVS) revealed significant wind variability in both Hα and He I λ5876. The He I TVS have a double-peaked profile consistent with radial velocity oscillations. A periodicity search was carried out on the equivalent width and radial velocity data, as well as on wavelength-binned spectra. This analysis has revealed several periods in the variability with timescales of two to seven days. Many of these periods exhibit sinusoidal modulation in the associated phase diagrams. Several of these periods were present in both Hα and He I, indicating a possible connection between the wind and the photosphere. Due to the harmonic nature of these periods, stellar pulsations may be the origin of some of the observed variability. Periods on the order of the rotational period were also detected in the He I line in the 1998-1999 season and in both lines during the 2004-2005 season. These periods may indicate rotational modulation due to structure in the wind.

  9. Variability in Optical Spectra of ɛ Orionis

    Science.gov (United States)

    Thompson, Gregory B.; Morrison, N. D.

    2013-06-01

    We present the results of a time-series analysis of 130 échelle spectra of ɛ Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of Hα (net) and He I λ5876 were measured and radial velocities were obtained from the central absorption of He I λ5876. Temporal variance spectra (TVS) revealed significant wind variability in both Hα and He I λ5876. The He I TVS have a double-peaked profile consistent with radial velocity oscillations. A periodicity search was carried out on the equivalent width and radial velocity data, as well as on wavelength-binned spectra. This analysis has revealed several periods in the variability with time scales of 2-7 d. Many of these periods exhibit sinusoidal modulation in the associated phase diagrams. Several of these periods were present in both Hα and He I, indicating a possible connection between the wind and the photosphere. Due to the harmonic nature of these periods, stellar pulsations may be the origin of some of the observed variability. Periods on the order of the rotational period were also detected in the He I line in the 98-99 season and in both lines during the 04-05 season. These periods may indicate rotational modulation due to structure in the wind.

  10. The Rovibronic Spectra of the Cyclopentadienyl Radical

    Science.gov (United States)

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

    2017-06-01

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

  11. VARIABILITY IN OPTICAL SPECTRA OF ε ORIONIS

    International Nuclear Information System (INIS)

    Thompson, Gregory B.; Morrison, Nancy D.

    2013-01-01

    We present the results of a time series analysis of 130 échelle spectra of ε Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of Hα (net) and He I λ5876 were measured and radial velocities were obtained from the central absorption of He I λ5876. Temporal variance spectra (TVS) revealed significant wind variability in both Hα and He I λ5876. The He I TVS have a double-peaked profile consistent with radial velocity oscillations. A periodicity search was carried out on the equivalent width and radial velocity data, as well as on wavelength-binned spectra. This analysis has revealed several periods in the variability with timescales of two to seven days. Many of these periods exhibit sinusoidal modulation in the associated phase diagrams. Several of these periods were present in both Hα and He I, indicating a possible connection between the wind and the photosphere. Due to the harmonic nature of these periods, stellar pulsations may be the origin of some of the observed variability. Periods on the order of the rotational period were also detected in the He I line in the 1998-1999 season and in both lines during the 2004-2005 season. These periods may indicate rotational modulation due to structure in the wind.

  12. Soil emissivity and reflectance spectra measurements

    International Nuclear Information System (INIS)

    Sobrino, Jose A.; Mattar, Cristian; Pardo, Pablo; Jimenez-Munoz, Juan C.; Hook, Simon J.; Baldridge, Alice; Ibanez, Rafael

    2009-01-01

    We present an analysis of the laboratory reflectance and emissivity spectra of 11 soil samples collected on different field campaigns carried out over a diverse suite of test sites in Europe, North Africa, and South America from 2002 to 2008. Hemispherical reflectance spectra were measured from 2.0 to 14 μm with a Fourier transform infrared spectrometer, and x-ray diffraction analysis (XRD) was used to determine the mineralogical phases of the soil samples. Emissivity spectra were obtained from the hemispherical reflectance measurements using Kirchhoff's law and compared with in situ radiance measurements obtained with a CIMEL Electronique CE312-2 thermal radiometer and converted to emissivity using the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) temperature and emissivity separation algorithm. The CIMEL has five narrow bands at approximately the same positions as the ASTER. Results show a root mean square error typically below 0.015 between laboratory emissivity measurements and emissivity measurements derived from the field radiometer.

  13. Magnetic propeller effect in the spectra of young stars

    Science.gov (United States)

    Grinin, V. P.; Potravnov, I. S.; Ilyin, I. V.; Shulman, S. G.

    2015-08-01

    The origin of the blueshifted narrow absorption components in the resonance sodium doublet lines observed in the spectra of some young stars is discussed. Such components are assumed to be formed by the interaction of the circumstellar gas with the stellar magnetosphere in the magnetic propeller regime. The results of observations for the post UX Ori star RZ Psc are discussed in detail. This star shows distinctive signatures of mass outflow in the absence of any clear accretion signatures. Such a picture is quite possible in the magnetic propeller regime. Estimates show that for this regime to be realized, the star must have a surface magnetic field of ~1 kG at an accretion rate that does not exceed 10-10 M . yr-1.

  14. Ferromagnetic resonance spectra of Py deposited on (Bi1-xSbx2Te3

    Directory of Open Access Journals (Sweden)

    S. Gupta

    2017-05-01

    Full Text Available We measure ferromagnetic resonance spectra of sputtered Py (20 nm on (Bi1-xSbx2Te3 (∼50 nm, x = 0-1 grown by molecular beam epitaxy. The linewidths of the spectra for Py on (Bi1-xSbx2Te3 are much broader than that of Py directly deposited on a flat Si/SiO2 substrate. We find that the broadening results from spin pumping as well as inhomogeneity in Py induced by surface roughness of underneath (Bi1-xSbx2Te3.

  15. Ferromagnetic resonance spectra of Py deposited on (Bi1-xSbx)2Te3

    Science.gov (United States)

    Gupta, S.; Kanai, S.; Matsukura, F.; Ohno, H.

    2017-05-01

    We measure ferromagnetic resonance spectra of sputtered Py (20 nm) on (Bi1-xSbx)2Te3 (˜50 nm, x = 0-1) grown by molecular beam epitaxy. The linewidths of the spectra for Py on (Bi1-xSbx)2Te3 are much broader than that of Py directly deposited on a flat Si/SiO2 substrate. We find that the broadening results from spin pumping as well as inhomogeneity in Py induced by surface roughness of underneath (Bi1-xSbx)2Te3.

  16. Surface enhanced raman spectroscopy on chip

    DEFF Research Database (Denmark)

    Hübner, Jörg; Anhøj, Thomas Aarøe; Zauner, Dan

    2007-01-01

    In this paper we report low resolution surface enhanced Raman spectra (SERS) conducted with a chip based spectrometer. The flat field spectrometer presented here is fabricated in SU-8 on silicon, showing a resolution of around 3 nm and a free spectral range of around 100 nm. The output facet...... fiber. The obtained spectra show that chip based spectrometer together with the SERS active surface can be used as Raman sensor....

  17. Surface composition of Mercury from reflectance spectrophotometry

    Science.gov (United States)

    Vilas, Faith

    1988-01-01

    The controversies surrounding the existing spectra of Mercury are discussed together with the various implications for interpretations of Mercury's surface composition. Special attention is given to the basic procedure used for reducing reflectance spectrophotometry data, the factors that must be accounted for in the reduction of these data, and the methodology for defining the portion of the surface contributing the greatest amount of light to an individual spectrum. The application of these methodologies to Mercury's spectra is presented.

  18. Subsurface electric field effect on excitonic reflection spectra of CdSe monocrystals

    International Nuclear Information System (INIS)

    Batyrev, A.S.; Novikov, B.V.; Cherednichenko, A.E.

    1981-01-01

    Changes in exciton reflection spectra of CdSe monocrystals under bombardment with 2-3.5 keV electrons at T=4.2 K have been experimentally investigated. Under the same conditions measured was a relative value of surface photo e.m.f. depending on a dose of electron bombardment. A structure, resulted from the Stark well for excitons near surface and bound state in it - mechanical surface exciton, has been detected in nonirradiated crystals. Correlation between changes in the value of photo e.m.f. and the exciton reflection spectrum contour in the process of irradiation has been traced. It is shown that a number of peculiarities in experimental exciton reflection spectra is not explained with the model of the Thomas and Hopfield ''dead layer''. The Kiselev model is used to explain the results [ru

  19. Surface-induced dissociation and reactions of cations and dications C7H8 center dot+/2+, C7H7+/center dot 2+ and C7H62+: Dependence of mass spectra of product ions on incident energy of the projectiles

    Czech Academy of Sciences Publication Activity Database

    Feketeová, L.; Tepnual, T.; Grill, V.; Roithová, Jana; Herman, Zdeněk; Märk, T. D.

    2007-01-01

    Roč. 265, - (2007), s. 337-346 ISSN 1387-3806 R&D Projects: GA AV ČR KJB4040302; GA AV ČR IAA4040405 Institutional research plan: CEZ:AV0Z40400503 Keywords : toluene * ion-surface collisions * surface-induced-dissociation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.411, year: 2007

  20. An algorithm for removing charging effects from X-ray photoelectron spectra of nanoscaled non-conductive materials

    Energy Technology Data Exchange (ETDEWEB)

    Gulyaev, R.V., E-mail: gulyaev@catalysis.ru [Boreskov Institute of Catalysis SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation); Koscheev, S.V. [Boreskov Institute of Catalysis SB RAS, Novosibirsk 630090 (Russian Federation); Malykhin, S.E. [Boreskov Institute of Catalysis SB RAS, Novosibirsk 630090 (Russian Federation); Novosibirsk State University, Novosibirsk 630090 (Russian Federation)

    2015-07-15

    Graphical abstract: - Highlights: • Algorithm for restoration of XP-spectra distorted by surface charging was developed. • Pd3d spectra of Pd/SnO{sub 2}, Pd/CeO{sub 2}–SnO{sub 2} catalysts were successfully restored. • Algorithm performance is comparable with “hardware” charging neutralization technique. - Abstract: Inhomogeneous surface charging could lead to a distortion of X-ray photoelectron (XP) spectra, which complicates the spectra analysis and sometimes results in an incorrect interpretation of elements chemical states of the sample. The charging effects might be especially strong in the case of XPS application for the characterization of heterogeneous catalysts, which are usually based on the dielectric or semiconductor materials with complex morphology. In this paper, we propose an algorithm to restore XP spectra when distortion is caused by inhomogeneous and/or non-constant surface charging effects. A photoelectron line of a reference element can be used to eliminate the distortions from experimental spectra of other elements by an iterative deconvolution procedure. The successful application of the algorithm for the restoration of a Pd3d line shape using a reference Sn3d{sub 5/2} line was demonstrated for the Pd/SnO{sub 2} and Pd/CeO{sub 2}–SnO{sub 2} catalysts.

  1. Classification of specialty seed meals from NIR reflectance spectra

    Science.gov (United States)

    Near infrared reflectance spectroscopy was used to identify alternative seed meals proposed for food and feed formulations. Spectra were collected from cold pressed Camelina (Camelina sativa), Coriander (Coriandrum sativum), and Pennycress (Thlaspi arvense) meals. Additional spectra were collected ...

  2. Evaluation of secondary and prompt fission neutron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Porodzinskij, Yu.V.; Sukhovitskij, E.Sh. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)

    1997-03-01

    A simple model allowing to split neutron emission spectra into reaction partials is suggested. Predicted spectra of (n,n`{gamma}), (n,n`f), etc appear to be much harder than usually evaluated. (author)

  3. Noise spectra measured on the Dragon reactor primary heat exchanges

    International Nuclear Information System (INIS)

    Cummins, J.D.

    1969-09-01

    The frequency spectra of secondary water flow and tube wall temperatures have been measured on Dragon primary heat exchangers. No indication of tube wall temperature oscillations leading to tube burnout was found from the noise spectra analysed. (author)

  4. Photon and photoneutron spectra produced in radiotherapy Linacs

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-10-15

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

  5. Study on Mössbauer spectra of hemoglobin in thalassemia

    Science.gov (United States)

    Xuanhui, Guo; Nanming, Zhao; Xiufang, Zhang; Naifei, Gao; Youwen, Huang; Rongxin, Wang

    1988-02-01

    The57Fe Mössbauer spectra of erythrocytes in normal subjects and nine patients of different thalassemias were studied. Together with clinical analysis, the correlation between the components in the spectra and different types of anemias was discussed.

  6. Photon and photoneutron spectra produced in radiotherapy Linacs

    International Nuclear Information System (INIS)

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

    2011-10-01

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

  7. Effect of Palagonite Dust Deposition on the Automated Detection of Carbonate Vis/NIR Spectra

    Science.gov (United States)

    Gilmore, Martha S.; Merrill, Matthew D.; Castano, Rebecca; Bornstein, Benjamin; Greenwood, James

    2004-01-01

    Currently Mars missions can collect more data than can be returned. Future rovers of increased mission lifetime will benefit from onboard autonomous data processing systems to guide the selection, measurement and return of scientifically important data. One approach is to train a neural net to recognize spectral reflectance characteristics of minerals of interest. We have developed a carbonate detector using a neural net algorithm trained on 10,000 synthetic Vis/NIR (350-2500 nm) spectra. The detector was able to correctly identify carbonates in the spectra of 30 carbonate and noncarbonate field samples with 100% success. However, Martian dust coatings strongly affect the spectral characteristics of surface rocks potentially masking the underlying substrate rock. In this experiment, we measure Vis/NIR spectra of calcite coated with different thicknesses of palagonite dust and evaluate the performance of the carbonate detector.

  8. The effects of atmospheric pressure on infrared reflectance spectra of Martian analogs

    Science.gov (United States)

    Bishop, Janice L.; Pieters, Carle M.; Pratt, Stephen F.; Patterson, William

    1993-01-01

    The use of terrestrial samples as analogs of Mars soils are complicated by the Martian atmosphere. Spectral features due to the Martian atmosphere can be removed from telescopic spectra of Mars and ISM spectra of Mars, but this does not account for any spectral differences resulting from atmospheric pressure or any interactions between the atmosphere and the surface. We are examining the effects of atmospheric pressure on reflectance spectra of powdered samples in the laboratory. Contrary to a previous experiment with granite, no significant changes in albedo or the Christiansen feature were observed from 1 bar pressure down to a pressure of 8 micrometers Hg. However, reducing the atmospheric pressure does have a pronounced affect on the hydration features, even for samples retained in a dry environment for years.

  9. Possible use of pattern recognition for the analysis of Mars rover X-ray fluorescence spectra

    Science.gov (United States)

    Yin, Lo I; Trombka, Jacob I.; Seltzer, Stephen M.; Johnson, Robert G.; Philpotts, John A.

    1989-01-01

    On the Mars rover sample-return mission, the rover vehicle will collect and select samples from different locations on the Martian surface to be brought back to earth for laboratory studies. It is anticipated that an in situ energy-dispersive X-ray fluorescence (XRF) spectrometer will be on board the rover. On such a mission, sample selection is of higher priority than in situ quantitative chemical anlaysis. With this in mind, a pattern recognition technique is proposed as a simple, direct, and speedy alternative to detailed chemical analysis of the XRF spectra. The validity and efficacy of the pattern recognition technique are demonstrated by the analyses of laboratory XRF spectra obtained from a series of geological samples, in the form both of standardized pressed pellets and as unprepared rocks. It is found that pattern recognition techniques applied to the raw XRF spectra can provide for the same discrimination among samples as a knowledge of their actual chemical composition.

  10. Exciton spectra of mixed LiH1-xDx crystals

    International Nuclear Information System (INIS)

    Plekhanov, V.G.

    1989-01-01

    The results of low-tempertaure experimental investigation of exciton spectra of pure surface of mixed crystals LiH 1-x d x forming the continuous series of a solved solution are presented. The long-wave reflection spectra is formed, as in pure crystals, by excitons of a large radius. The developed structure of spectra of exciton luminiscence consisting mainly of LO-lines, testifies to the intraband Frelich mechanism of free exciton scattering by LO-phonos, playing the considerable role in renormalization of the exciton Rydberg and the energy of interband transitions. Increase of the concentration of deuterium in mixed crystals causes a short-wave shift in the reflection spectrum and luminescence and continuous decrease of LO-phonon energy together with the increase of Rydberg exciton

  11. Characterizing Sky Spectra Using SDSS BOSS Data

    Science.gov (United States)

    Florez, Lina Maria; Strauss, Michael A.

    2018-01-01

    In the optical/near-infrared spectra gathered by a ground-based telescope observing very faint sources, the strengths of the emission lines due to the Earth’s atmosphere can be many times larger than the fluxes of the sources we are interested in. Thus the limiting factor in faint-object spectroscopy is the degree to which systematics in the sky subtraction can be minimized. Longwards of 6000 Angstroms, the night-sky spectrum is dominated by multiple vibrational/rotational transitions of the OH radical from our upper atmosphere. While the wavelengths of these lines are the same in each sky spectrum, their relative strengths vary considerably as a function of time and position on the sky. The better we can model their strengths, the better we can hope to subtract them off. We expect that the strength of lines from common upper energy levels will be correlated with one another. We used flux-calibrated sky spectra from the Sloan Digital Sky Survey Baryon Oscillation Spectroscopic Survey (SDSS BOSS) to explore these correlations. Our aim is to use these correlations for creating improved sky subtraction algorithms for the Prime Focus Spectrograph (PFS) on the 8.2-meter Subaru Telescope. When PFS starts gathering data in 2019, it will be the most powerful multi-object spectrograph in the world. Since PFS will be gathering data on sources as faint as 24th magnitude and fainter, it's of upmost importance to be able to accurately measure and subtract sky spectra from the data that we receive.

  12. QSFIT: automatic analysis of optical AGN spectra

    Science.gov (United States)

    Calderone, G.; Nicastro, L.; Ghisellini, G.; Dotti, M.; Sbarrato, T.; Shankar, F.; Colpi, M.

    2017-12-01

    We present QSFIT (Quasar Spectral Fitting package), a new software package to automatically perform the analysis of active galactic nuclei (AGNs) optical spectra. The software provides luminosity estimates for the AGN continuum, the Balmer continuum, both optical and ultraviolet iron blended complex, host galaxy and emission lines, as well as width, velocity offset and equivalent width of 20 emission lines. Improving on a number of previous studies on AGN spectral analysis, QSFIT fits all the components simultaneously, using an AGN continuum model which extends over the entire available spectrum, and is thus a probe of the actual AGN continuum whose estimates are scarcely influenced by localized features (e.g. emission lines) in the spectrum. We used QSFIT to analyse 71 251 optical spectra of Type 1 AGN at z < 2 (obtained by the Sloan Digital Sky Survey, SDSS) and to produce a publicly available catalogue of AGN spectral properties. Such catalogue allowed us (for the first time) to estimate the AGN continuum slope and the Balmer continuum luminosity on a very large sample, and to show that there is no evident correlation between these quantities the redshift. All data in the catalogue, the plots with best-fitting model and residuals, and the IDL code we used to perform the analysis, are available on a dedicated website. The whole fitting process is customizable for specific needs, and can be extended to analyse spectra from other data sources. The ultimate purpose of QSFIT is to allow astronomers to run standardized recipes to analyse the AGN data, in a simple, replicable and shareable way.

  13. Prediction of peak overlap in NMR spectra

    International Nuclear Information System (INIS)

    Hefke, Frederik; Schmucki, Roland; Güntert, Peter

    2013-01-01

    Peak overlap is one of the major factors complicating the analysis of biomolecular NMR spectra. We present a general method for predicting the extent of peak overlap in multidimensional NMR spectra and its validation using both, experimental data sets and Monte Carlo simulation. The method is based on knowledge of the magnetization transfer pathways of the NMR experiments and chemical shift statistics from the Biological Magnetic Resonance Data Bank. Assuming a normal distribution with characteristic mean value and standard deviation for the chemical shift of each observable atom, an analytic expression was derived for the expected overlap probability of the cross peaks. The analytical approach was verified to agree with the average peak overlap in a large number of individual peak lists simulated using the same chemical shift statistics. The method was applied to eight proteins, including an intrinsically disordered one, for which the prediction results could be compared with the actual overlap based on the experimentally measured chemical shifts. The extent of overlap predicted using only statistical chemical shift information was in good agreement with the overlap that was observed when the measured shifts were used in the virtual spectrum, except for the intrinsically disordered protein. Since the spectral complexity of a protein NMR spectrum is a crucial factor for protein structure determination, analytical overlap prediction can be used to identify potentially difficult proteins before conducting NMR experiments. Overlap predictions can be tailored to particular classes of proteins by preparing statistics from corresponding protein databases. The method is also suitable for optimizing recording parameters and labeling schemes for NMR experiments and improving the reliability of automated spectra analysis and protein structure determination.

  14. Effect of Temperature on Jet Velocity Spectra

    Science.gov (United States)

    Bridges, James E.; Wernet, Mark P.

    2007-01-01

    Statistical jet noise prediction codes that accurately predict spectral directivity for both cold and hot jets are highly sought both in industry and academia. Their formulation, whether based upon manipulations of the Navier-Stokes equations or upon heuristic arguments, require substantial experimental observation of jet turbulence statistics. Unfortunately, the statistics of most interest involve the space-time correlation of flow quantities, especially velocity. Until the last 10 years, all turbulence statistics were made with single-point probes, such as hotwires or laser Doppler anemometry. Particle image velocimetry (PIV) brought many new insights with its ability to measure velocity fields over large regions of jets simultaneously; however, it could not measure velocity at rates higher than a few fields per second, making it unsuitable for obtaining temporal spectra and correlations. The development of time-resolved PIV, herein called TR-PIV, has removed this limitation, enabling measurement of velocity fields at high resolution in both space and time. In this paper, ground-breaking results from the application of TR-PIV to single-flow hot jets are used to explore the impact of heat on turbulent statistics of interest to jet noise models. First, a brief summary of validation studies is reported, undertaken to show that the new technique produces the same trusted results as hotwire at cold, low-speed jets. Second, velocity spectra from cold and hot jets are compared to see the effect of heat on the spectra. It is seen that heated jets possess 10 percent more turbulence intensity compared to the unheated jets with the same velocity. The spectral shapes, when normalized using Strouhal scaling, are insensitive to temperature if the stream-wise location is normalized relative to the potential core length. Similarly, second order velocity correlations, of interest in modeling of jet noise sources, are also insensitive to temperature as well.

  15. Semiconductor surface and interface passivation by cyanide treatment

    Science.gov (United States)

    Kobayashi, H.; Takahashi, M.; Maida, O.; Asano, A.; Kubota, T.; Ivančo, J.; Nakajima, A.; Akimoto, K.

    2004-08-01

    Cyanide treatment which simply involves immersion of semiconductors in cyanide solutions can passivate interface states as well as surface states. When Si surfaces are treated with KCN solutions, a surface photovoltage greatly increases, and the surface recombination velocity is calculated to be decreased from ˜3000 cm/s to less than 200 cm/s. When the cyanide treatment is applied to ultrathin SiO 2/single-crystalline Si structure, interface states are passivated. The passivation of the SiO 2/Si interface states increases the energy conversion efficiency of MOS solar cells to 16.2% and decreases the leakage current density for MOS diodes to 1/3-1/8. When the cyanide treatment is performed on polycrystalline (poly-) Si, defect states in Si up to at least 0.5 μm depth from the surface are passivated, resulting in a vast increase in the energy conversion efficiency of solar cells and a decrease in the dark current density of MOS diodes to 1/100-1/15 that without cyanide treatment. The defect passivation is attributed to the formation of SiCN bonds from defect states. SiCN bonds are found not to be ruptured by heat treatment at 800 °C and AM 1.5 100 mW/cm 2 irradiation for more than 1000 h. Density functional calculations show that the thermal and irradiation stability results from strong SiCN bonds with the bond energy of 4.5 eV. When the cyanide treatment is performed on oxide/GaAs(1 0 0) structure, the interface state density decreases to ˜50%. The cyanide treatment can also passivate defect states in Cu 2O films, resulting in increases in the carrier density and the band-to-band photoluminescence intensity.

  16. Symmetry in bonding and spectra an introduction

    CERN Document Server

    Douglas, Bodie E

    1985-01-01

    Many courses dealing with the material in this text are called ""Applications of Group Theory."" Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustra

  17. SIMULATION OF PARTICLE SPECTRA AT RHIC.

    Energy Technology Data Exchange (ETDEWEB)

    KAHANA,D.E.; KAHANA,S.H.

    2001-09-04

    A purely hadronic simulation is performed of the recently reported data from PHOBOS at energies of {radical}s = 56, 130 GeV using the relativistic heavy ion cascade LUCIFER which had previously given a good description of the NA49 inclusive spectra at {radical}s = 17.2 GeV/A. The results compare well with these early measurements at RHIC and indeed successfully predict the increase in multiplicity now seen by PHOBOS and the other RHIC detectors at the nominal maximum energy of {radical}s = 200 GeV/A, suggesting that evidence for quark-gluon matter remains elusive.

  18. SIMULATION OF PARTICLE SPECTRA AT RHIC

    International Nuclear Information System (INIS)

    KAHANA, D.E.; KAHANA, S.H.

    2001-01-01

    A purely hadronic simulation is performed of the recently reported data from PHOBOS at energies of √s = 56, 130 GeV using the relativistic heavy ion cascade LUCIFER which had previously given a good description of the NA49 inclusive spectra at √s = 17.2 GeV/A. The results compare well with these early measurements at RHIC and indeed successfully predict the increase in multiplicity now seen by PHOBOS and the other RHIC detectors at the nominal maximum energy of √s = 200 GeV/A, suggesting that evidence for quark-gluon matter remains elusive

  19. Boundary layer heights derived from velocity spectra

    Energy Technology Data Exchange (ETDEWEB)

    Hoejstrup, J.; Barthelmie, R.J. [Risoe National Lab., Roskilde (Denmark); Kaellstrand, B. [Univ. of Uppsala, Uppsala (Sweden)

    1997-10-01

    It is a well-known fact that the height of the mixed layer determines the size of the largest and most energetic eddies that can be observed in the unstable boundary layer, and consequently a peak can be observed in the power spectra of the along-wind velocity component at scales comparable to the mixed layer depth. We will now show how the mixed layer depth can be derived from the u-specta and the results will be compared with direct measurements using pibal and tethersonde measurements. (au)

  20. The spectra and dynamics of diatomic molecules

    CERN Document Server

    Lefebvre-Brion, Helene

    2004-01-01

    This book is written for graduate students just beginning research, for theorists curious about what experimentalists actually can and do measure, and for experimentalists bewildered by theory. It is a guide for potential users of spectroscopic data, and uses language and concepts that bridge the frequency-and time-domain spectroscopic communities. Key topics, concepts, and techniques include: the assignment of simple spectra, basic experimental techniques, definition of Born-Oppenheimer and angular momentum basis sets and the associated spectroscopic energy level patterns (Hund's ca

  1. A program for evaluation of NAA spectra

    International Nuclear Information System (INIS)

    Mishev, P.

    1994-01-01

    A program for qualitative and quantitative analysis of spectra obtained by comparative NAA method is described. It includes peak search, calculation of essential peak parameters, isotope identification and estimation of concentrations and/or detection limits of nuclides, corrected for cooling time and decay during measurement. Corrections for blank samples and peak interference are performed as well. Uncertainties estimation or final results are performed according to the error propagation law. The program is aimed to help an experienced user to calculate the results of analysis but the possibility for automatic mode for routine analysis is provided as well. (author) 3 refs

  2. Molecular geometry in the ultraviolet absorption spectra

    International Nuclear Information System (INIS)

    Albuquerque, S.F. de; Monteiro, L.S.; Adamis, L.M.B.; Baltar, M.C.P.; Silva, R.M. da

    1977-01-01

    The ultraviolet absorption spectra may be sensibly affected by steric effects. These effects can cause a lot of difficulties and unexpected changes in spectrum. The most general source of such difficulties is steric inhibition of resonance. In addition to this, ultraviolet epectra may be markedly changed by steric factors which change the positions of dipoles in the molecule with respect to each other and by the interaction of nonconjugated chromophores suitably located in space. We have studied in detail each of these effects presenting a lot of usual and importants examples in Organic Chemistry. Others relevants subjects were not considerated in this present work [pt

  3. Mapping SOC in a river catchment by integrating laboratory spectra wavelength with remote sensing spectra

    DEFF Research Database (Denmark)

    Peng, Yi; Xiong, Xiong; Knadel, Maria

    soil spectral features indicative of SOC from laboratory visible near-infrared reflectance (vis-NlR) spectra and incorporate them with remote sensing (RS) images to improve predictions of top SOC in the Skjem river catchment, Denmark. The secondary objective was to improve prediction results......There is potential to use soil ·-proximal and remote sensing derived spectra concomitantly to develop soil organic carbon (SOC) models. Yet mixing spectral data from different sources and technologies to improve soil models is still in its infancy. The objective of this study was to incorporate...... by separately calibrating samples from upland and wetland. We hypbthesize that final prediction accuracy is significantly improved by incorporatin1 laboratory vis-NlR images upscaled from point-based spectra to catchment scale and RS data for topsoil SOC spatial modeling....

  4. New composite spectra of Mars, 0.4-5.7 μm

    Science.gov (United States)

    Erard, Stephane; Calvin, Wendy M.

    1997-01-01

    About 15 areas were observed in the equatorial regions of Mars by the infrared spectrometers IRS (Mariner 6 and 7) and ISM (Phobos-2). The comparison between the spectra shows a remarkable consistency between two data sets acquired 20 years apart and calibrated independently. This similarity demonstrates the accuracy of ISM calibration above 2 μm, except for a possible stray light contribution above 2.6 μm, on the order of ∼1–2% of the solar flux at 2.7 μm. Most differences in spectral shapes are related to differences in spectral/spatial resolution and viewing geometries. No important variation in surface properties is detected, except for a spot in southern Arabia Terra which has a much deeper hydration feature in IRS spectra; differences in viewing geometries and spatial resolutions do not seem to account for this difference that could result from shifting or dehydration of surface materials. Composite spectra of several types of bright and dark materials are computed by modeling the thermal emission and are completed with telescopic spectra in the visible range. Modeled reflectance in the 3.0–5.7 μm range is consistent with basalts and palagonites. The bright regions and analog palagonite spectra are different from hematite in this range, but resemble several phyllosilicates. We infer that (1) although hematite dominates the spectra in the 0.4- to 2.5-μm range, the silicate-clay host is spectrally active beyond 3 μm and can be identified from this domain; (2) phyllosilicates such as montmorillonite or smectite may be abundant components of the martian soils, although the domain below 3 μm lacks the characteristic features of the most usual terrestrial clay minerals.

  5. Peptide de novo sequencing of mixture tandem mass spectra

    DEFF Research Database (Denmark)

    Gorshkov, Vladimir; Hotta, Stéphanie Yuki Kolbeck; Braga, Thiago Verano

    2016-01-01

    The impact of mixture spectra deconvolution on the performance of four popular de novo sequencing programs was tested using artificially constructed mixture spectra as well as experimental proteomics data. Mixture fragmentation spectra are recognized as a limitation in proteomics because they dec...

  6. A program converting MCNP simulation into gamma vision spectra

    International Nuclear Information System (INIS)

    Ni Jianzhong; Liu Jie; Yu Gongshuo; Zhang Jiamei

    2010-01-01

    A program is developed which can convert the energy distribution of photons calculated by MCNP into Gamma Vision spectra, thus, the simulated energy spectra can be displayed and processed with Gamma Vision. The program provides a convenient tool for the theoretical simulation of HPGe γ spectra. (authors)

  7. Comparison of fish-community size spectra based on length ...

    African Journals Online (AJOL)

    Estimates of fish-community size spectra are promising indicators of the impact of fishing on fish assemblages. Size spectra consist of logarithmic graphs of abundance plotted against fish body size. Size spectra may either be constructed from length frequency data or estimated from the mean sizes and abundances of the ...

  8. Raman Optical Activity and Raman Spectra of Amphetamine Species

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Shim, Irene; White, Peter Cyril

    2012-01-01

    and ROA spectra. As predicted the experimental ROA spectra were found to depend on the chirality. Two street samples, provided by the London Police, were also measured and compared to the calculated ROA spectra. The street samples were found to contain different enantiomers of the protonated am- phetamine...

  9. Dynamical and Radiative Properties of X-Ray Pulsar Accretion Columns: Phase-averaged Spectra

    Energy Technology Data Exchange (ETDEWEB)

    West, Brent F. [Department of Electrical and Computer Engineering, United States Naval Academy, Annapolis, MD (United States); Wolfram, Kenneth D. [Naval Research Laboratory (retired), Washington, DC (United States); Becker, Peter A., E-mail: bwest@usna.edu, E-mail: kswolfram@gmail.com, E-mail: pbecker@gmu.edu [Department of Physics and Astronomy, George Mason University, Fairfax, VA (United States)

    2017-02-01

    The availability of the unprecedented spectral resolution provided by modern X-ray observatories is opening up new areas for study involving the coupled formation of the continuum emission and the cyclotron absorption features in accretion-powered X-ray pulsar spectra. Previous research focusing on the dynamics and the associated formation of the observed spectra has largely been confined to the single-fluid model, in which the super-Eddington luminosity inside the column decelerates the flow to rest at the stellar surface, while the dynamical effect of gas pressure is ignored. In a companion paper, we have presented a detailed analysis of the hydrodynamic and thermodynamic structure of the accretion column obtained using a new self-consistent model that includes the effects of both gas and radiation pressures. In this paper, we explore the formation of the associated X-ray spectra using a rigorous photon transport equation that is consistent with the hydrodynamic and thermodynamic structure of the column. We use the new model to obtain phase-averaged spectra and partially occulted spectra for Her X-1, Cen X-3, and LMC X-4. We also use the new model to constrain the emission geometry, and compare the resulting parameters with those obtained using previously published models. Our model sheds new light on the structure of the column, the relationship between the ionized gas and the photons, the competition between diffusive and advective transport, and the magnitude of the energy-averaged cyclotron scattering cross-section.

  10. Continuum spectra for gamma-ray bursts: Suppressing the soft photons

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Cheng; Epstein, R.I.

    1989-01-01

    Gamma-ray bursts are observed to have very steep spectra below photon energy /approximately/100 keV; some have photon number spectra as steep as F /proportional to/ E/sup 0/. This property has been difficult to explain in terms of most radiation processes. The BATSE experiment on the Gamma Ray Observatory should be able to test how common this spectral property is and whether there are bursts with even steeper low-energy spectra. To explain this spectral steepness, we study a model in which the /gamma/ radiation is produced by inverse-Compton and cyclotron scattering of blackbody radiation from the surface of a neutron star by relativistic electrons. If the neutron star has negligible magnetic field, Compton scattering dominates in producing the observed gamma-ray burst spectra. If the field exceeds 10/sup 10/ G, cyclotron scattering is more important. In the low-magnetic-field case, steep spectra may be produced via the suppression of the low energy part of the ''cooling spectrum'' (the spectrum integrated over the radiation lifetime of an electron), as a result of the smaller and more collimated photon flux an electron sees as it moves away from the neutron star. In the high-magnetic-field case, low-energy suppression occurs because electrons with higher energies scatter the blackbody photons more efficiently due to the cyclotron resonance, preferentially producing high energy photons. 27 refs., 5 figs.

  11. Retrieval of complex χ((2)) parts for quantitative analysis of sum-frequency generation intensity spectra.

    Science.gov (United States)

    Hofmann, Matthias J; Koelsch, Patrick

    2015-10-07

    Vibrational sum-frequency generation (SFG) spectroscopy has become an established technique for in situ surface analysis. While spectral recording procedures and hardware have been optimized, unique data analysis routines have yet to be established. The SFG intensity is related to probing geometries and properties of the system under investigation such as the absolute square of the second-order susceptibility χ((2)) (2). A conventional SFG intensity measurement does not grant access to the complex parts of χ((2)) unless further assumptions have been made. It is therefore difficult, sometimes impossible, to establish a unique fitting solution for SFG intensity spectra. Recently, interferometric phase-sensitive SFG or heterodyne detection methods have been introduced to measure real and imaginary parts of χ((2)) experimentally. Here, we demonstrate that iterative phase-matching between complex spectra retrieved from maximum entropy method analysis and fitting of intensity SFG spectra (iMEMfit) leads to a unique solution for the complex parts of χ((2)) and enables quantitative analysis of SFG intensity spectra. A comparison between complex parts retrieved by iMEMfit applied to intensity spectra and phase sensitive experimental data shows excellent agreement between the two methods.

  12. Intrinsic Spectra of Hyperluminous Infrared Galaxies

    Science.gov (United States)

    Rieke, George; Hines, Dean

    2004-09-01

    We will use the low and high spectral resolution capabilities of the IRS aboard SIRTF to obtain high signal-to-noise mid-infrared spectra of a small sample of the most luminous Active Galactic Nuclei, which are characterized by their "warm" far-infrared spectral energy distributions as obtained by IRAS (the so called Hyperluminous Infrared Galaxies or HIGs). The sample consists of both Type 2 and Type 1 AGNs. The Type 1 objects present a relatively unobscured view of the central engine, and also have a polarized (scattered) component that is completely unobscured. The Type 2 objects have Type 1 polarized spectra, but this scattered light is highly extinguished indicating some obscuration even along the line of sight to the scattering region. The sample will allow us to compare the properties of the Type 1s and Type 2s, thus providing a check on the orientation and providing strong constraints on the geometry and internal structure of all four objects.

  13. Continuous particle spectra and their angular distributions

    International Nuclear Information System (INIS)

    Sastry, Ch.V.; Jain, R.K.; Rama Rao, J.; Ernst, J.; Machner, H.

    1996-01-01

    The angular distribution of continuous particle spectra in pre-equilibrium reactions is still an unsolved problem, particularly so at forward angles. In the present work, the angular distributions of alpha particles emitted in (α, α',x) reactions in the target elements gold and rhodium have been studied in detail. Alpha particle beams of energy 60 MeV from the Variable Energy Cyclotron of Calcutta were used in these experiments. The theoretical calculations were done using an extended exciton model of Kalbach incorporated into the Computer Code PRECO-D2. The formalism used in the exciton model was modified to include division of pre equilibrium cross section into multi-step direct (MSD) and multi-step compound (MSC) components. These MSD and MSC cross sections were used to calculate the angular distributions in terms of Legendre polynomials whose coefficients are given by simple phenomenological relations. Even with a reasonable set of parameters, the agreement between theory and experiment was far from satisfactory at forward angles. Similar conclusion was also drawn in the case of continuous particle spectra of deuterons in (d, d'x) reactions at 25 MeV in various targets. (author). 10 refs., 2 figs

  14. Spectra of {gamma} rays feeding superdeformed bands

    Energy Technology Data Exchange (ETDEWEB)

    Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

    1995-08-01

    The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

  15. Spectra of γ rays feeding superdeformed bands

    International Nuclear Information System (INIS)

    Lauritsen, T.; Khoo, T.L.; Henry, R.G.

    1995-01-01

    The spectrum of γrays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding γrays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by ∼30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the γ cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed

  16. Lightning spectra at 100,000 fps

    Science.gov (United States)

    McHarg, M. G.; Harley, J.; Haaland, R. K.; Edens, H. E.; Stenbaek-Nielsen, H.

    2016-12-01

    A fundamental understanding of lightning can be inferred from the spectral emissions resulting from the leader and return stroke channel. We examine an event recorded at 00:58:07 on 19 July 2015 at Langmuir Laboratory. We recorded lightning spectra using a 100 line per mm grating in front of a Phantom V2010 camera with an 85mm Nikon lens recording at 100,000 frames per second. Coarse resolution spectra (approximately 5nm resolution) are produced from approximately 400 nm to 800 nm for each frame. Electric field data from the Langmuir Electric Field Array for the 03:19:19 event show 10 V/m changes in the electric field associated with multiple return strokes visible in the spectral data. We used the spectral data to compare temperatures at the top, middle and bottom of the lightning channel. Lightning Mapping Array data at Langmuir for the 00:58:07 event show a complex flash extending 10 km in the East-West plane and 6 km in the North-South plane. The imagery data imply that this is a bolt-from-the-blue event.

  17. Blind Source Separation For Ion Mobility Spectra

    International Nuclear Information System (INIS)

    Marco, S.; Pomareda, V.; Pardo, A.; Kessler, M.; Goebel, J.; Mueller, G.

    2009-01-01

    Miniaturization is a powerful trend for smart chemical instrumentation in a diversity of applications. It is know that miniaturization in IMS leads to a degradation of the system characteristics. For the present work, we are interested in signal processing solutions to mitigate limitations introduced by limited drift tube length that basically involve a loss of chemical selectivity. While blind source separation techniques (BSS) are popular in other domains, their application for smart chemical instrumentation is limited. However, in some conditions, basically linearity, BSS may fully recover the concentration time evolution and the pure spectra with few underlying hypothesis. This is extremely helpful in conditions where non-expected chemical interferents may appear, or unwanted perturbations may pollute the spectra. SIMPLISMA has been advocated by Harrington et al. in several papers. However, more modern methods of BSS for bilinear decomposition with the restriction of positiveness have appeared in the last decade. In order to explore and compare the performances of those methods a series of experiments were performed.

  18. Vibration spectra of single atomic nanocontacts

    International Nuclear Information System (INIS)

    Bourahla, B; Khater, A; Rafil, O; Tigrine, R

    2006-01-01

    This paper introduces a simple model for an atomic nanocontact, where its mechanical properties are analysed by calculating numerically the local spectral properties at the contact atom and the nearby atoms. The standard methodology for calculating phonon spectral densities is extended to enable the calculation of localized contact modes and local density of states (DOS). The model system considered for the nanocontact consists of two sets of triple parallel semi-infinite atomic chains joined by a single atom in between. The matching method is used, in the harmonic approximation, to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous nanocontact domain. The Green's functions yield the vibration spectra and the DOS for the atomic sites. These are numerically calculated for different cases of elastic hardening and softening of the nanocontact domain. The purpose is to investigate how the local dynamics respond to local changes in the elastic environment. The analysis of the spectra and of the DOS identifies characteristic features and demonstrates the central role of a core subset of these sites for the dynamics of the nanocontact. The system models a situation which may be appropriate for contact atomic force microscopy

  19. Damping modification factors for acceleration response spectra

    Directory of Open Access Journals (Sweden)

    Heng Li

    2017-09-01

    Full Text Available DMF (Damping modification factors are used to modify elastic response spectral values corresponding to damping ratio 5% to other damping levels. The influence of seismological parameters (magnitude, epicentral distances and site conditions on DMF for acceleration spectra was analysed. The results show that for a given period as the magnitude or distance increase, the effect of damping on the seismic response will also increase, which indicates the response reduction from the structural damping will become more efficient. In the near-field of small earthquakes, the influence of site conditions on DMF is obvious, but it does not show a consistent rule. Furthermore, the DMF corresponding to different site conditions gradually close to unity with increasing magnitude and distance. The influence of the above mentioned parameters is related to the relative attenuation of the frequency components of the ground motion. The attenuation index alone is sufficient to take into account the influence. Based on these features, this paper proposes a formula of DMF for acceleration response spectra.

  20. Analysis of the FF Aqr spectra

    Science.gov (United States)

    Shimanskaya, N. N.; Bikmaev, I. F.; Shimansky, V. V.

    2011-07-01

    We determine the atmospheric parameters of the secondary in the close binary system FF Aqr and analyze its chemical composition. A series of high-resolution spectra are taken at different orbital phases using the coude echelle spectrometer of the 1.5-m Russian-Turkish Telescope (RTT150). We show that the absorption line intensity of heavy elements varies with phase due to the spotty nature of the cool component. We determine the abundances of heavy elements in the star's atmosphere by modelling the synthetic spectra and performing a differential analysis of the chemical composition of FF Aqr relative to the solar composition. Our analysis of the averaged spectrum of FF Aqr yielded 539 abundance estimates for 21 chemical elements. We found the metallicity of the star ([ Fe/H] = -0.11 ± 0.08) to be close solar, in agreement with the hypothesis that FF Aqr should belong to the Galactic disk. The inferred chemical composition of the objects exhibits no anomalous abundances of the α-, r-, and s-process elements like those earlier found in other systems (IN Com, LW Hya, V471 Tau). The lack of such anomalies in FF Aqr must be due to the fact that the elements heavier than 16 O cannot be synthesized in the core of the primary during the last stages of its evolution.

  1. Interstellar dehydrogenated PAH anions: vibrational spectra

    Science.gov (United States)

    Buragohain, Mridusmita; Pathak, Amit; Sarre, Peter; Gour, Nand Kishor

    2018-03-01

    Interstellar polycyclic aromatic hydrocarbon (PAH) molecules exist in diverse forms depending on the local physical environment. Formation of ionized PAHs (anions and cations) is favourable in the extreme conditions of the interstellar medium (ISM). Besides in their pure form, PAHs are also likely to exist in substituted forms; for example, PAHs with functional groups, dehydrogenated PAHs etc. A dehydrogenated PAH molecule might subsequently form fullerenes in the ISM as a result of ongoing chemical processes. This work presents a density functional theory (DFT) calculation on dehydrogenated PAH anions to explore the infrared emission spectra of these molecules and discuss any possible contribution towards observed IR features in the ISM. The results suggest that dehydrogenated PAH anions might be significantly contributing to the 3.3 μm region. Spectroscopic features unique to dehydrogenated PAH anions are highlighted that may be used for their possible identification in the ISM. A comparison has also been made to see the size effect on spectra of these PAHs.

  2. Model Atmospheres and Transit Spectra for Hot Rocky Planets

    Science.gov (United States)

    Lupu, Roxana

    We propose to build a versatile set of self-consistent atmospheric models for hot rocky exoplanets and use them to predict their transit and eclipse spectra. Hot rocky exoplanets will form the majority of small planets in close-in orbits to be discovered by the TESS and Kepler K2 missions, and offer the best opportunity for characterization with current and future instruments. We will use fully non-grey radiative-convective atmospheric structure codes with cloud formation and vertical mixing, combined with a self-consistent treatment of gas chemistry above the magma ocean. Being in equilibrium with the surface, the vaporized rock material can be a good tracer of the bulk composition of the planet. We will derive the atmospheric structure and escape rates considering both volatile-free and volatile bearing compositions, which reflect the diversity of hot rocky planet atmospheres. Our models will inform follow- up observations with JWST and ground-based instruments, aid the interpretation of transit and eclipse spectra, and provide a better understanding of volatile loss in these atmospheres. Such results will help refine our picture of rocky planet formation and evolution. Planets in ultra-short period (USP) orbits are a special class of hot rocky exoplanets. As shown by Kepler, these planets are generally smaller than 2 Earth radii, suggesting that they are likely to be rocky and could have lost their volatiles through photo-evaporation. Being close to their host stars, these planets are ultra-hot, with estimated temperatures of 1000-3000 K. A number of USP planets have been already discovered (e.g. Kepler-78 b, CoRoT-7 b, Kepler-10 b), and this number is expected to grow by confirming additional planet candidates. The characterization of planets on ultra-short orbits is advantageous due to the larger number of observable transits, and the larger transit signal in the case of an evaporating atmosphere. Much advance has been made in understanding and characterizing

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

    International Nuclear Information System (INIS)

    Satpathy, S.S.

    1982-01-01

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

  4. Attenuated total reflection angular spectra of a system of alternating plasma-dielectric layers.

    Science.gov (United States)

    Kovacs, G J; Scott, G D

    1978-11-15

    The attenuated total reflection (ATR) angular spectra of a five-film system have been observed. Successive layers of Ag-LiF-Ag-LiF-Ag are evaporated onto the base of a glass prism. Surface plasma wave resonances corresponding to coupled oscillations at the plasma-dielectric interfaces were found for p-polarization. Guided light modes coupled between the two dielectric layers were observed in both p- and s-polarized spectra. If guided mode reflectance resonances occur at less than the critical angle they have associated with them resonance transmissions. In general the ATR resonances of the five-film system occur as doublets, which form a splitting of the resonances of a single dielectric slab bounded by Ag layers. The resonant oscillations are demonstrated by detailed calculations of the Poynting vector field and electric field oscillations, which also help in understanding the source of discrepancies between experimental and calculated ATR spectra. These discrepancies are thought to be due largely to the surface roughness of evaporated LiF films. The roughness is modeled as thin cermet layers at the LiF-Ag interfaces, and the optical constants of the cermets are calculated by the Maxwell Garnett theory. When the ATR spectra are then computed with the pseudolayers inserted, much improved agreement with experiment can be obtained.

  5. Infrared absorption spectra of nanosized silica with organic additives

    Directory of Open Access Journals (Sweden)

    Мaria О. Savchenko

    2014-12-01

    Full Text Available The prospects of using of silica nanoparticles modified with urea-formaldehyde polymers which is obtained by sulfuric acid sol-gel technology are shown. The aim is a detailed research on the infrared absorption spectra of nanodispersed silica modified with urea-formaldehyde polymers with identification of the absorption bands of the spectrum. The method of infrared spectroscopy is used to research spectral characteristics of nanosized silica, urea-formaldehyde polymer and nanodispersed silica modified with urea-formaldehyde polymers in different ratio. It is found that interaction of initial ingredients occurs at the stage of phase formation in solutions in colloidal silica products containing urea-formaldehyde polymers. Organic components are localized on the surface of the globules and in the interglobular space. This result of such interaction is the physical and structural transformation of globular surfaces of silica and new chemical compounds formation. This allows to give to final product a variety of properties required for practical use in many industries.

  6. Energetic Proton Spectra Measured by the Van Allen Probes

    Science.gov (United States)

    Summers, Danny; Shi, Run; Engebretson, Mark J.; Oksavik, Kjellmar; Manweiler, Jerry W.; Mitchell, Donald G.

    2017-10-01

    We test the hypothesis that pitch angle scattering by electromagnetic ion cyclotron (EMIC) waves can limit ring current proton fluxes. For two chosen magnetic storms, during 17-20 March 2013 and 17-20 March 2015, we measure proton energy spectra in the region 3 ≤ L ≤ 6 using the RBSPICE-B instrument on the Van Allen Probes. The most intense proton spectra are observed to occur during the recovery periods of the respective storms. Using proton precipitation data from the POES (NOAA and MetOp) spacecraft, we deduce that EMIC wave action was prevalent at the times and L-shell locations of the most intense proton spectra. We calculate limiting ring current proton energy spectra from recently developed theory. Comparisons between the observed proton energy spectra and the theoretical limiting spectra show reasonable agreement. We conclude that the measurements of the most intense proton spectra are consistent with self-limiting by EMIC wave scattering.

  7. The high-frequency ESR spectra of the syntetic diamond and nanodiamonds type Ib at low temperature

    International Nuclear Information System (INIS)

    Khatsko, E.; Kobets, M.; Dergachev, K.; Kulbickas, A.; Rasteniene, L.; Vaisnoras, R.

    2013-01-01

    The ESR absorption spectra of nonirradiated and irradiated (by electrons with an energy of 2 MeV) bulk diamond and nanodiamond powder of type Ib have been studied at a wide range of frequencies (70-20 GHz) and temperature (4.2-0 K) by ESR method. It is shown, that in the ESR spectrum of bulk diamond absorption lines of ion nickel catalyst Ni +a nd a paramagnetic single center of the nitrogen N 0 is observed. Absorption lines of the paramagnetic centers with dangling bonds on the nanodiamond surface (surface defects) in the ESR spectra are obtained.

  8. Reference-free quantification of EEG spectra: combining current source density (CSD) and frequency principal components analysis (fPCA).

    Science.gov (United States)

    Tenke, Craig E; Kayser, Jürgen

    2005-12-01

    Definition of appropriate frequency bands and choice of recording reference limit the interpretability of quantitative EEG, which may be further compromised by distorted topographies or inverted hemispheric asymmetries when employing conventional (non-linear) power spectra. In contrast, fPCA factors conform to the spectral structure of empirical data, and a surface Laplacian (2-dimensional CSD) simplifies topographies by minimizing volume-conducted activity. Conciseness and interpretability of EEG and CSD fPCA solutions were compared for three common scaling methods. Resting EEG and CSD (30 channels, nose reference, eyes open/closed) from 51 healthy and 93 clinically-depressed adults were simplified as power, log power, and amplitude spectra, and summarized using unrestricted, Varimax-rotated, covariance-based fPCA. Multiple alpha factors were separable from artifact and reproducible across subgroups. Power spectra produced numerous, sharply-defined factors emphasizing low frequencies. Log power spectra produced fewer, broader factors emphasizing high frequencies. Solutions for amplitude spectra showed optimal intermediate tuning, particularly when derived from CSD rather than EEG spectra. These solutions were topographically distinct, detecting multiple posterior alpha generators but excluding the dorsal surface of the frontal lobes. Instead a low alpha/theta factor showed a secondary topography along the frontal midline. CSD amplitude spectrum fPCA solutions provide simpler, reference-independent measures that more directly reflect neuronal activity. A new quantitative EEG approach affording spectral components is developed that closely parallels the concept of an ERP component in the temporal domain.

  9. Solid surfaces : some theoretical aspects

    International Nuclear Information System (INIS)

    Das, M.P.

    1978-01-01

    An appraisal of the current situation concerning some of the theoretical aspects of solid surfaces is presented. First of all the characterization of the surfaces that involves the surface geometry and atomic composition for both the clean and adsorbed surfaces is discussed. Under this, the methods for determining the surface structure (such as low energy electron diffraction, field electron and field ion microscopy, photo emission spectroscopy and atomic scattering) and methods for determining the surface composition by the Auger electron spectroscopy are outlined. In the second part, emphasis is on the electronic structure of the clean and adsorbed surfaces. The measurements of ultra-violet and X-ray photo electron spectra are shown to yield the information about the surface electronic structure. In this context the many body effects such as, shake-up and relaxation energy etc. are discussed. Finally the status of the theory in relation to the experiments on angular resolved and polarization dependent photo emission are presented. (auth.)

  10. Thermal Infrared Spectra of a Suite of Forsterite Samples and Ab-initio Modelling of theirs Spectra

    Science.gov (United States)

    Maturilli, A.; Stangarone, C.; Helbert, J.; Tribaudino, M.; Prencipe, M.

    2017-12-01

    Forsterite is the dominating component in olivine, a major constituent in ultrafemic rocks, as well as planetary bodies. Messenger X-ray spectrometer has shown that Mg-rich silicate minerals, such as enstatite and forsterite, dominate Mercury's surface (Weider et al 2012). A careful and detailed acquaintance with the forsterite spectral features and their dependence wrt environmental conditions on Mercury is needed to interpret the remote sensing data from previous and forthcoming missions. We propose an experimental vs calculation approach to reproduce and describe the spectral features of forsterite. TIR emissivity measurements are performed by the Planetary Spectroscopy Laboratory (PSL) of DLR. PSL offers the unique capability to measure the emissivity of samples at temperature up to 1000K under vacuum conditions. TIR emissivity and reflectance measurements are performed on 11 olivine samples having a different composition within the forsterite-fayalite series. When available, the sample has been measured in 2 different grain sizes (chameleon-like effects of Mercury surface already observed (Helbert et al. 2013), this study wants to point out the main spectral features due to the composition and temperature. Our results are used to create a theoretical background to interpret the high temperature infrared emissivity spectra from MERTIS onboard the ESA BepiColombo mission to Mercury (Helbert et al. 2010).

  11. Running of featureful primordial power spectra

    Science.gov (United States)

    Gariazzo, Stefano; Mena, Olga; Miralles, Victor; Ramírez, Héctor; Boubekeur, Lotfi

    2017-06-01

    Current measurements of the temperature and polarization anisotropy power spectra of the cosmic microwave background (CMB) seem to indicate that the naive expectation for the slow-roll hierarchy within the most simple inflationary paradigm may not be respected in nature. We show that a primordial power spectrum with localized features could in principle give rise to the observed slow-roll anarchy when fitted to a featureless power spectrum. From a model comparison perspective, and assuming that nature has chosen a featureless primordial power spectrum, we find that, while with mock Planck data there is only weak evidence against a model with localized features, upcoming CMB missions may provide compelling evidence against such a nonstandard primordial power spectrum. This evidence could be reinforced if a featureless primordial power spectrum is independently confirmed from bispectrum and/or galaxy clustering measurements.

  12. Boundary spectra in superspace {sigma}-models

    Energy Technology Data Exchange (ETDEWEB)

    Quella, T. [Amsterdam Univ. (Netherlands). Inst. voor Theoretische Fysica]|[Isaac Newton Inst. for Mathematical Sciences, Cambridge (United Kingdom); Schomerus, V. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)]|[Isaac Newton Inst. for Mathematical Sciences, Cambridge (United Kingdom); Creutzig, T. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2007-12-15

    In this note we compute exact boundary spectra for D-instantons in {sigma}-models on the supergroup PSL(22). Our results are obtained through an explicit summation of the perturbative expansion for conformal dimensions to all orders in the curvature radius. The analysis exploits several remarkable properties of the perturbation series that arises from rescalings of the metric on PSL(22) relative to a fixed Wess- Zumino term. According to Berkovits, Vafa and Witten, the models are relevant in the context of string theory on AdS{sub 3} with non-vanishing RR-flux. The note concludes with a number of comments on various possible generalizations to other supergroups and higher dimensional supercoset theories. (orig.)

  13. Spectra of photoeffect efficiency of beryllium compounds

    International Nuclear Information System (INIS)

    Blokhin, M.A.; Orlova, E.G.; Shvejtser, I.G.

    1977-01-01

    The photoeffect efficiency spectra (PES) from a Be1s-level of some Be compounds were experimentally studied in a 100-250 eV energy range. The BeK- absorption margin position was determined by the position of the middle elevation of the first maximum in PES. A systematic increase of the BeK-absorption margin energy was observed in the BeO - BeSO 4 x4H 2 O - Be(OH) 2 - Be(COOCH 3 ) 2 - BeF 2 series during replacement of oxygen atoms in the first coordination sphere of the Be atom by water molecules, hydroxyl and acetate groups, and fluorine atoms by 0.4, 0.6, 1.1 and 2.0 eV, respectively, in relation to BeO. Alterations in ligands in the second and more remote coordination spheres were shown to affect the BeK-absorption margin position

  14. Correlating features in the primordial spectra

    CERN Document Server

    Achúcarro, Ana; Palma, Gonzalo A; Patil, Subodh P

    2013-01-01

    Heavy fields coupled to the inflaton reduce the speed of sound in the effective theory of the adiabatic mode each time the background inflationary trajectory deviates from a geodesic. This can result in features in the primordial spectra. We compute the corresponding bispectrum and show that if a varying speed of sound induces features in the power spectrum, the change in the bispectrum is given by a simple formula involving the change in the power spectrum and its derivatives. In this manner, we provide a uniquely discriminable signature of a varying sound speed for the adiabatic mode during inflation that indicates the influence of heavy fields. We find that features in the bispectrum peak in the equilateral limit and, in particular, in the squeezed limit we find considerable enhancement entirely consistent with the single field consistency relation. From the perspective of the underlying effective theory, our results generalize to a wide variety of inflationary models where features are sourced by the time...

  15. Conformal Symmetry Patterns in Baryon Spectra

    International Nuclear Information System (INIS)

    Kirchbach, Mariana; Compean, Cliffor B

    2011-01-01

    Attention is drawn to the fact that the spectra of the baryons of the lightest flavors, the nucleon and the Δ, carry quantum numbers characteristic for an unitary representation of the conformal group. We show that the above phenomenon is well explained for baryons whose internal structure is dominated by a quark-diquark configuration that resides in a conformally compactified Minkowski space time, R 1 x S 3 , and is described by means of the conformal scale equation there. The R 1 x S 3 space-time represents the boundary of the conformally compactified AdS 5 , on which one expects to encounter a conformal theory in accord with the gauge-gravity duality. Within this context, our model is congruent with AdS 5 /CFT 4 .

  16. Analysis of Diablo Canyon site response spectra

    International Nuclear Information System (INIS)

    Bernreuter, D.L.; Wight, L.H.

    1977-01-01

    The Diablo Canyon Nuclear Power Plant, located on the central California coast, is nearing completion. Recent geologic and seismological investigations have indicated that the nearby Hosgri fault may be part of a major fault system. If so, the original Design Basis Earthquake (DBE) may be inadequate for Diablo Canyon. Therefore, several factors that could significantly affect the design response spectra for the site were examined. It was found that, because of the area's geology, significant site effects could occur that would reduce ground motion; possible soil-structure interaction would also reduce the seismic motion at the basemat of the main structure as compared to the free-field motion. Studies of wave-passage effects have shown that they are complicated and cannot be easily predicted. It is concluded that an increased-magnitude DBE should have little effect on the reactor design if the increase is caused by increased stress drop rather than greater fault rupture length

  17. Adaptive estimation of Raman chemical mixture spectra

    Science.gov (United States)

    Burr, David J.; Chen, Carl G.; Sedlacek, Arthur J., III

    1996-11-01

    We introduce an adaptive mixing algorithm for estimating the relative ratios of chemicals in a mixture spectrum. This procedure is particularly well suited to mixtures with a large dynamic range of mixture weights. It has the advantage of being able to be used in conjunction with a band-pass (difference-to-Gaussian or DOG) filter, and a correction of baseline off-set and tilting of the spectrum. Output of these filtering techniques is a cleaner signal retaining most of the relevant Raman spectral signature while minimizing artifacts due primarily to Rayleigh, dust, and atmospheric aerosols. We will describe the results of applying these algorithm to mixture spectra with both real and simulated additive noise.

  18. Automated analysis of slitless spectra. II. Quasars

    International Nuclear Information System (INIS)

    Edwards, G.; Beauchemin, M.; Borra, F.

    1988-01-01

    Automated software have been developed to process slitless spectra. The software, described in a previous paper, automatically separates stars from extended objects and quasars from stars. This paper describes the quasar search techniques and discusses the results. The performance of the software is compared and calibrated with a plate taken in a region of SA 57 that has been extensively surveyed by others using a variety of techniques: the proposed automated software performs very well. It is found that an eye search of the same plate is less complete than the automated search: surveys that rely on eye searches suffer from incompleteness at least from a magnitude brighter than the plate limit. It is shown how the complete automated analysis of a plate and computer simulations are used to calibrate and understand the characteristics of the present data. 20 references

  19. Modeling degradation in SOEC impedance spectra

    DEFF Research Database (Denmark)

    Jensen, Søren Højgaard; Hauch, Anne; Knibbe, Ruth

    2013-01-01

    Solid oxide cell (SOC) performance is limited by various processes. One way to investigate these processes is by electrochemical impedance spectroscopy. In order to quantify and characterize the processes, an equivalent circuit can be used to model the SOC impedance spectra (IS). Unfortunately......, the optimal equivalent circuit is often unknown and to complicate matters further, several processes contribute to the SOC impedance - making detailed process characterization difficult. In this work we analyze and model a series of IS measured during steam electrolysis operation of an SOC. During testing......, degradation is only observed in the Ni/YSZ electrode and not in the electrolyte or the LSM/YSZ electrode. A batch fit of the differences between the IS shows that a modified Gerischer element provides a better fit to the Ni/YSZ electrode impedance than the frequently used RQ element - albeit neither...

  20. Gas Cell Development for Infrared Spectra Calibration

    Science.gov (United States)

    Valdivielso, Luisa; Esparza, Pedro; Martín, Eduardo L.

    NAHUAL is a high-resolution near-infrared echelle spectrograph of high stability on preliminary phase development for GTC (Gran Telescopio de Canarias). Its natural location is a Nasmyth focus. One of the principal scientific aims is to carry out high precision radial velocity measurements (from 1 to 10 m/s) in the near infrared. To achieve high stability on radial velocity measurements, NAHUAL needs a calibration unit that uses a mixture of gases whose absorption spectra must be as homogeneous as possible between 0.95 and 2.4 μm. We report on the measurements done to date with potentially active gas mixtures as acetylene, methane, nitrous oxide or hydrocarbons.

  1. Strong ground motion spectra for layered media

    International Nuclear Information System (INIS)

    Askar, A.; Cakmak, A.S.; Engin, H.

    1977-01-01

    This article presents an analytic method and calculations of strong motion spectra for the energy, displacement, velocity and acceleration based on the physical and geometric ground properties at a site. Although earthquakes occur with large deformations and high stress intensities which necessarily lead to nonlinear phenomena, most analytical efforts to date have been based on linear analyses in engineering seismology and soil dynamics. There are, however, a wealth of problems such as the shifts in frequency, dispersion due to the amplitude, the generation of harmonics, removal of resonance infinities, which cannot be accounted for by a linear theory. In the study, the stress-strain law for soil is taken as tau=G 0 γ+G 1 γ 3 +etaγ where tau is the stress, γ is the strain, G 0 and G 1 are the elasticity coefficients and eta is the damping and are different in each layer. The above stress-strain law describes soils with hysterisis where the hysterisis loops for various amplitudes of the strain are no longer concentric ellipses as for linear relations but are oval shapes rotated with respect to each other similar to the materials with the Osgood-Ramberg law. It is observed that even slight nonlinearities may drastically alter the various response spectra from that given by linear analysis. In fact, primary waves cause resonance conditions such that secondary waves are generated. As a result, a weak energy transfer from the primary to the secondary waves takes place, thus altering the wave spectrum. The mathematical technique that is utilized for the solution of the nonlinear equation is a special perturbation method as an extension of Poincare's procedure. The method considers shifts in the frequencies which are determined by the boundedness of the energy

  2. Spectra and physical properties of Taurid meteoroids

    Science.gov (United States)

    Matlovič, Pavol; Tóth, Juraj; Rudawska, Regina; Kornoš, Leonard

    2017-09-01

    Taurids are an extensive stream of particles produced by comet 2P/Encke, which can be observed mainly in October and November as a series of meteor showers rich in bright fireballs. Several near-Earth asteroids have also been linked with the meteoroid complex, and recently the orbits of two carbonaceous meteorites were proposed to be related to the stream, raising interesting questions about the origin of the complex and the composition of 2P/Encke. Our aim is to investigate the nature and diversity of Taurid meteoroids by studying their spectral, orbital, and physical properties determined from video meteor observations. Here we analyze 33 Taurid meteor spectra captured during the predicted outburst in November 2015 by stations in Slovakia and Chile, including 14 multi-station observations for which the orbital elements, material strength parameters, dynamic pressures, and mineralogical densities were determined. It was found that while orbits of the 2015 Taurids show similarities with several associated asteroids, the obtained spectral and physical characteristics point towards cometary origin with highly heterogeneous content. Observed spectra exhibited large dispersion of iron content and significant Na intensity in all cases. The determined material strengths are typically cometary in the KB classification, while PE criterion is on average close to values characteristic for carbonaceous bodies. The studied meteoroids were found to break up under low dynamic pressures of 0.02-0.10 MPa, and were characterized by low mineralogical densities of 1.3-2.5 g cm-3. The widest spectral classification of Taurid meteors to date is presented.

  3. Spectroscopic modeling for tungsten EUV spectra

    International Nuclear Information System (INIS)

    Murakami, Izumi; Kato, Daiji; Sakaue, Hiroyuki A.; Suzuki, Chihiro; Morita, Shigeru; Goto, Motoshi; Sasaki, Akira; Nakamura, Nobuyuki; Yamamoto, Norimasa; Koike, Fumihiro

    2014-01-01

    We have constructed an atomic model for tungsten extreme ultraviolet (EUV) spectra to reconstruct characteristic spectral feature of unresolved transition array (UTA) observed at 4-7 nm for tungsten ions. In the tungsten atomic modeling, we considered fine-structure levels with the quantum principal number n up to 6 as the atomic structure and calculated the electron-impact collision cross sections by relativistic distorted-wave method, using HULLAC atomic code. We measured tungsten EUV spectra in Large Helical Device (LHD) and Compact Electron Beam Ion Trap device (CoBIT) and compared them with the model calculation. The model successfully explain series of emission peaks at 1.5-3.5 nm as n=5-4 and 6-4 transitions of W 24+ - W 32+ measured in CoBIT and LHD and the charge state distributions were estimated for LHD plasma. The UTA feature observed at 4-7 nm was also successfully reconstructed with our model. The peak at ∼5 nm is produced mainly by many 4f-4d transition of W 22+ - W 35+ ions, and the second peak at ∼6 nm is produced by 4f-4d transition of W 25+ - W 28+ ions, and 4d-4p inner-shell transitions, 4p 5 4d n+1 - 4p 6 4d n , of W 29+ - W 35+ ions. These 4d-4p inner-shell transitions become strong since we included higher excited states such as 4p 5 4d n 4f state, which ADAS atomic data set does not include for spectroscopic modeling with fine structure levels. (author)

  4. Parameterization of MARVELS Spectra Using Deep Learning

    Science.gov (United States)

    Gilda, Sankalp; Ge, Jian; MARVELS

    2018-01-01

    Like many large-scale surveys, the Multi-Object APO Radial Velocity Exoplanet Large-area Survey (MARVELS) was designed to operate at a moderate spectral resolution ($\\sim$12,000) for efficiency in observing large samples, which makes the stellar parameterization difficult due to the high degree of blending of spectral features. Two extant solutions to deal with this issue are to utilize spectral synthesis, and to utilize spectral indices [Ghezzi et al. 2014]. While the former is a powerful and tested technique, it can often yield strongly coupled atmospheric parameters, and often requires high spectral resolution (Valenti & Piskunov 1996). The latter, though a promising technique utilizing measurements of equivalent widths of spectral indices, has only been employed with respect to FKG dwarfs and sub-giants and not red-giant branch stars, which constitute ~30% of MARVELS targets. In this work, we tackle this problem using a convolution neural network (CNN). In particular, we train a one-dimensional CNN on appropriately processed PHOENIX synthetic spectra using supervised training to automatically distinguish the features relevant for the determination of each of the three atmospheric parameters – T_eff, log(g), [Fe/H] – and use the knowledge thus gained by the network to parameterize 849 MARVELS giants. When tested on the synthetic spectra themselves, our estimates of the parameters were consistent to within 11 K, .02 dex, and .02 dex (in terms of mean absolute errors), respectively. For MARVELS dwarfs, the accuracies are 80K, .16 dex and .10 dex, respectively.

  5. Application of NASVD method in the CE1-GRS spectra analysis

    International Nuclear Information System (INIS)

    Yang Jia; Ge Liangquan; Xiong Shengqing

    2010-01-01

    From the spectral shape features of the Chang'e-1 gamma-ray spectrometer (CE1-GRS) spectra data of level 3, it is difficult to identify elemental composition of the lunar surface. The paper proposes using Noise Adjusted Singular Value Decomposition (NASVD) method to qualitative analysis of CE1-GRS spectra. The result shows that a number of possible elements such as U, Th, K, Fe, Ti, Si, O, Al, Mg and Ca are qualitatively determined by this method.On the other hand, for each measured spectrum, the absolute value of the amplitude corresponding to the first spectral component indicates the total activity of its corresponding lunar surface region's radioactivity. (authors)

  6. Fast forward modeling of Titan's infrared spectra to invert VIMS/Cassini hyperspectral images

    Science.gov (United States)

    Rodriguez, S.; Le Mouélic, Stéphane; Rannou, P.; Combe, J.-P.; Corre, L.L.; Tobie, G.; Barnes, J.W.; Sotin, Christophe; Brown, R.H.; Baines, K.H.; Buratti, B.J.; Clark, R.N.; Nicholson, P.D.

    2009-01-01

    The surface of Titan, the largest icy moon of Saturn, is veiled by a very thick and hazy atmosphere. The Visual and Infrared Mapping Spectrometer onboard the Cassini spacecraft, in orbit around Saturn since July 2004, conduct an intensive survey of Titan with the objective to understand the complex nature of the atmosphere and surface of the mysterious moon and the way they interact. Accurate radiative transfer modeling is necessary to analyze Titan's infrared spectra, but are often very computer resources demanding. As Cassini has gathered hitherto millions of spectra of Titan and will still observe it until at least 2010, we report here on the development of a new rapid, simple and versatile radiative transfer model specially designed to invert VIMS datacubes. ?? 2009 IEEE.

  7. Resonant spectra of malignant breast cancer tumors using the three-dimensional electromagnetic fast multipole model.

    Science.gov (United States)

    El-Shenawee, Magda

    2004-01-01

    This paper presents an intensive numerical study of the resonance scattering of malignant breast cancer tumors. The three-dimensional electromagnetic model, based on the equivalence theorem, is used to obtain induced electric and magnetic currents on breast and tumor surfaces. The results show that the nonspherical malignant tumor can be characterized, based on its spectra, regardless of orientation, incident polarization, or incident or scattered directions. The spectra of the tumor depend solely upon its physical characteristics (i.e., shape and electrical properties); however, their locations are not functions of the depth of the tumor beneath the breast surface. This paper can be a guide in the selection of the frequency range at which the tumor resonates to produce the maximum signature at the receiver.

  8. Qualitative and quantitative validation of the SINBAD code on complex HPGe gamma-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Rohee, E.; Coulon, R.; Normand, S.; Carrel, F. [CEA, LIST, Laboratoire Capteurs et Architectures electroniques, F-91191 Gif-sur-Yvette, (France); Dautremer, T.; Barat, E.; Montagu, T. [CEA, LIST, Laboratoire Modelisation, Simulation et Systemes, F-91191 Gif-sur-Yvette, (France); Jammes, C. [CEA/DEN/SPEx/LDCI, Centre de Cadarache, F-13109 Saint-Paul-lez-Durance, (France)

    2015-07-01

    Radionuclides identification and quantification is a serious concern for many applications as safety or security of nuclear power plant or fuel cycle facility, CBRN risk identification, environmental radioprotection and waste measurements. High resolution gamma-ray spectrometry based on HPGe detectors is a performing solution for all these topics. During last decades, a great number of software has been developed to improve gamma spectra analysis. However, some difficulties remain in the analysis when photoelectric peaks are folded together with a high ratio between theirs amplitudes, when the Compton background is much larger compared to the signal of a single peak and when spectra are composed of a great number of peaks. This study deals with the comparison between conventional methods in radionuclides identification and quantification and the code called SINBAD ('Spectrometrie par Inference Non parametrique Bayesienne Deconvolutive'). For many years, SINBAD has been developed by CEA LIST for unfolding complex spectra from HPGe detectors. Contrary to conventional methods using fitting procedures, SINBAD uses a probabilistic approach with Bayesian inference to describe spectrum data. This conventional fitting method founded for example in Genie 2000 is compared with the nonparametric SINBAD approach regarding some key figures of merit as the peak centroid evaluation (identification) and peak surface evaluation (quantification). Unfriendly cases are studied for nuclides detection with closed gamma-rays energies and high photoelectric peak intensity differences. Tests are performed with spectra from the International Atomic Energy Agency (IAEA) for gamma spectra analysis software benchmark and with spectra acquired at the laboratory. Results show that SINBAD and Genie 2000 performances are quite similar with sometimes best results for SINBAD with the important difference that to achieve same performances the nonparametric method is user-friendly compared

  9. Multivariate Data Analysis on Tissue Diffuse Reflectance Spectra for Diagnostic Applications

    Science.gov (United States)

    Prince, Shanthi; Malarvizhi, S.

    2011-10-01

    Currently, clinical diagnosis of skin disease is generally accomplished by visual inspection under white light illumination. Aside from physical examination, the diagnosis of most of these lesions is invasive, time-consuming, and costly, often requiring surgical excision or biopsy followed by pathological investigations. Several approaches have been tried to improve dermatological diagnosis. Optical means of characterizing tissues have gained importance due to its noninvasive nature. Diffuse reflectance spectra are unique for normal and diseased tissues. Spectral characteristics of the tissue spectra provide useful information to identify various chromophores present in them, because different chromophores have different spectroscopic responses to electromagnetic waves of certain energy bands. An optical fiber spectrometer is set up for collection of diffuse reflectance data from different skin conditions. The method involves exposure of skin surface to white light produced by an incandescent source. These back scattered photons emerging from various layers of tissue are detected by spectrometer resulting in diffuse reflectance data. PCA can be considered as "the mother of all methods in multivariate data analysis". PCA is performed for data reduction and to obtain specific signature from the spectra to differentiate normal and the diseased skin. The proposed principal component analysis method is able to enhance the peculiar characteristics of the diseased diffuse reflectance spectra. Principal component analysis shows that the spectra from normal and diseased tissues are distinct from each other. PCA is recommended as an exploratory tool to uncover unknown trends in the data. A preliminary study, using PCA on the reparability of the spectra of normal and diseased tissue within each patient shows promise that this method is sensitive to changes in tissue brought upon by the onset of disease.

  10. Qualitative and quantitative validation of the SINBAD code on complex HPGe gamma-ray spectra

    International Nuclear Information System (INIS)

    Rohee, E.; Coulon, R.; Normand, S.; Carrel, F.; Dautremer, T.; Barat, E.; Montagu, T.; Jammes, C.

    2015-01-01

    Radionuclides identification and quantification is a serious concern for many applications as safety or security of nuclear power plant or fuel cycle facility, CBRN risk identification, environmental radioprotection and waste measurements. High resolution gamma-ray spectrometry based on HPGe detectors is a performing solution for all these topics. During last decades, a great number of software has been developed to improve gamma spectra analysis. However, some difficulties remain in the analysis when photoelectric peaks are folded together with a high ratio between theirs amplitudes, when the Compton background is much larger compared to the signal of a single peak and when spectra are composed of a great number of peaks. This study deals with the comparison between conventional methods in radionuclides identification and quantification and the code called SINBAD ('Spectrometrie par Inference Non parametrique Bayesienne Deconvolutive'). For many years, SINBAD has been developed by CEA LIST for unfolding complex spectra from HPGe detectors. Contrary to conventional methods using fitting procedures, SINBAD uses a probabilistic approach with Bayesian inference to describe spectrum data. This conventional fitting method founded for example in Genie 2000 is compared with the nonparametric SINBAD approach regarding some key figures of merit as the peak centroid evaluation (identification) and peak surface evaluation (quantification). Unfriendly cases are studied for nuclides detection with closed gamma-rays energies and high photoelectric peak intensity differences. Tests are performed with spectra from the International Atomic Energy Agency (IAEA) for gamma spectra analysis software benchmark and with spectra acquired at the laboratory. Results show that SINBAD and Genie 2000 performances are quite similar with sometimes best results for SINBAD with the important difference that to achieve same performances the nonparametric method is user-friendly compared

  11. Simulation of dielectric spectra of erythrocytes with various shapes

    Energy Technology Data Exchange (ETDEWEB)

    Asami, Koji, E-mail: asami@e.kuicr.kyoto-u.ac.j [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan)

    2009-07-07

    Dielectric spectra of erythrocyte suspensions were numerically simulated over a frequency range from 1 kHz to 100 MHz to study the effects of erythrocyte shape on the dielectric spectra. First, a biconcave-discoid model for normal erythrocytes or discocytes was compared with an equivalent oblate spheroid model. The two models showed similar dielectric spectra to each other, suggesting that the oblate spheroid model can be approximately used for discocytes. Second, dielectric spectra were simulated for discocytes deformed by osmotic cell swelling. The deformation resulted in the increase in relaxation intensity and the sharpening of spectrum shape. Finally, dielectric spectra were simulated for echinocytes, stomatocytes and sickle cells that are induced by chemical agents and diseases. The dielectric spectra of echinocytes and stomatocytes were similar to each other, being distinguishable from that of discocytes and quite different from that of sickle cells.

  12. [Raman spectra of fossil dinosaurs from different regions].

    Science.gov (United States)

    Yang, Qun; Wang, Yi-lin

    2007-12-01

    Raman microscopic spectra in the higher wave number region were obtained from 7 fossil dinosaurs specimens from different regions. The specimens of fossil dinosaurs are different parts of bone. The Raman spectra of fossil dinosaurs indicate the high similarity among peak positions of different fossil dinosaurs; but important differences exist in the spectral peak figures. In the wave number region of 1000-1800 cm(-1) the Raman spectra of the same bone part fossils from different regions are very similar, example similarities between spectra of Lufeing backbone head and Yua nmou backbone head; Lufeng limb bone and Wuding limb bone. There are relations between the same bone part spectra of different fossil dinosaurs. The characteristic does not relate to regions. Raman spectra of fossil dinosaurs cannot be used to distinguish fossil source, although the part of bone can be used as an indicator to narrow the range of possible geographical origins.

  13. Peakr: simulating solid-state NMR spectra of proteins

    International Nuclear Information System (INIS)

    Schneider, Robert; Odronitz, Florian; Hammesfahr, Bjorn; Hellkamp, Marcel; Kollmar, Martin

    2013-01-01

    When analyzing solid-state nuclear magnetic resonance (NMR) spectra of proteins, assignment of resonances to nuclei and derivation of restraints for 3D structure calculations are challenging and time-consuming processes. Simulated spectra that have been calculated based on, for example, chemical shift predictions and structural models can be of considerable help. Existing solutions are typically limited in the type of experiment they can consider and difficult to adapt to different settings. Here, we present Peakr, a software to simulate solid-state NMR spectra of proteins. It can generate simulated spectra based on numerous common types of internuclear correlations relevant for assignment and structure elucidation, can compare simulated and experimental spectra and produces lists and visualizations useful for analyzing measured spectra. Compared with other solutions, it is fast, versatile and user friendly. (authors)

  14. REFLECTION SPECTRA OF SKIN IN VITILIGO

    Directory of Open Access Journals (Sweden)

    V. V. Zhulmina

    2013-01-01

    Full Text Available Vitiligo is a disease with unknown etiology, which is characterized by skin depigmentation areas due to melanocyte death. Lack of clear understanding of pathogenic disease processes justifies the difficulty of choosing efficient treatment methods. Repigmentation is slow and not always complete. One of the key indicators in practical dermatology is objective assessment of skin cover condition for further diagnostics, definition of therapy and dynamics of the disease.The purpose of this study is to assess skin reflection spectrum in depigmentation areas, marginal layer and visible healthy skin before and after treatment of patients with vitiligo.21 patients having vitiligo were under observation; the patients were treated in the hospital of skin and venereal diseases of the Siberian State Medical University. The authors applied noninvasive method of spectrophotometry for the first time in order to study skin reflection spectrum of patients with vitiligo. Noninvasive medical spectrophotometry is based on dependence factor of integral optical properties of biological tissues and fluids in the conditions of homeostasis and in case of pathology. In order to assess the efficiency of skin disease treatment the patients were exposed to skin spectrophotometry before the beginning of the treatment and after the treatment itself with further measurements of the reflection spectrum integral criteria. The measurements were made in depigmentation area, on the boundary with healthy skin and in remote from depigmentation area of healthy skin.Obtained results indicate the difference of skin reflection spectra in the areas under investigation. Moreover, positive dynamics of the treatment associated with the decrease in the value of reflection spectrum integral criteria in the diseased area. There were no statistically important differences of the integral criteria, calculated based on measurement results of reflection spectra on the boundary of depigmentation area

  15. Semiconductor-driven ?turn-off? surface-enhanced Raman scattering spectroscopy: application in selective determination of chromium(vi) in water? ?Electronic supplementary information (ESI) available: Detailed Benesi?Hildebrand plot, IR spectra, Raman assignments, and experiment optimization. See DOI: 10.1039/c4sc02618g Click here for additional data file.

    OpenAIRE

    Ji, Wei; Wang, Yue; Tanabe, Ichiro; Han, Xiaoxia; Zhao, Bing; Ozaki, Yukihiro

    2014-01-01

    Semiconductor materials have been successfully used as surface-enhanced Raman scattering (SERS)-active substrates, providing SERS technology with a high flexibility for application in a diverse range of fields. Here, we employ a dye-sensitized semiconductor system combined with semiconductor-enhanced Raman spectroscopy to detect metal ions, using an approach based on the ?turn-off? SERS strategy that takes advantage of the intrinsic capacity of the semiconductor to catalyze the degradation of...

  16. A genetic algorithm approach to routine gamma spectra analysis

    Energy Technology Data Exchange (ETDEWEB)

    Carlevaro, C M [Instituto de FIsica de LIquidos y Sistemas Biologicos, Calle 59 No 789, B1900BTE La Plata (Argentina); Wilkinson, M V [Autoridad Regulatoria Nuclear, Avda. del Libertador 8250, C1429BNP Buenos Aires (Argentina); Barrios, L A [Autoridad Regulatoria Nuclear, Avda. del Libertador 8250, C1429BNP Buenos Aires (Argentina)

    2008-01-15

    In this work we present an alternative method for performing routine gamma spectra analysis based on genetic algorithm techniques. The main idea is to search for patterns of single nuclide spectra obtained by simulation in a sample spectrum targeted for analysis. We show how this approach is applied to the analysis of simulated and real target spectra, and also to the study of interference resolution.

  17. Incorporating Nuisance Parameters in Likelihoods for Multisource Spectra

    CERN Document Server

    Conway, J.S.

    2011-01-01

    We describe here the general mathematical approach to constructing likelihoods for fitting observed spectra in one or more dimensions with multiple sources, including the effects of systematic uncertainties represented as nuisance parameters, when the likelihood is to be maximized with respect to these parameters. We consider three types of nuisance parameters: simple multiplicative factors, source spectra "morphing" parameters, and parameters representing statistical uncertainties in the predicted source spectra.

  18. Inclusive sum rules and spectra of neutrons at the ISR

    International Nuclear Information System (INIS)

    Grigoryan, A.A.

    1975-01-01

    Neutron spectra in pp collisions at ISR energies are studied in the framework of sum rules for inclusive processes. The contributions of protons, π- and E- mesons to the energy sum rule are calculated at √5 = 53 GeV. It is shown by means of this sum rule that the spectra of neutrons at the ISR are in contradiction with the spectra of other particles also measured at the ISR

  19. Raman spectra of the transplutonium orthophosphates and trimetaphosphates

    International Nuclear Information System (INIS)

    Hobart, D.E.; Begun, G.M.; Haire, R.G.; Hellwege, H.E.

    1983-01-01

    Raman spectra have been obtained from multimicrogram samples of crystalline transplutonium (americium through einsteinium) orthophosphates. Spectra were also obtained for americium, curium, and californium trimetaphosphates. Assignments of the major Raman bands and confirmation of the compounds' stoichiometry were made by comparison with spectra obtained in previous studies on the lanthanide phosphates. The variation of transplutonium orthophosphate vibrational frequencies as a function of atomic number was found to be smaller in magnitude than that established for the lanthanide orthophosphates. (author)

  20. High-resolution vibrational neutron spectra of collagen

    International Nuclear Information System (INIS)

    Bradshaw, J.; Miller, A.; Robertson, S.T.; Middendorf, H.D.

    1992-01-01

    High-resolution vibrational spectra of oriented D 2 O-exchanged collagen fibres at 20 and 110 K have been measured using the pulsed-neutron spectrometer TFXA at ISIS. Numerous bands between 20 and 3800 cm -1 show a level of fine structure approaching that of optical spectra. The principal features of the spectra observed are discussed in the context of recent work on collagen and related triple-helical polypeptides, and some tentative assignments are made. (orig.)

  1. Atomic and molecular effects in the VUV spectra of solids

    International Nuclear Information System (INIS)

    Sonntag, B.

    1977-10-01

    The VUV spectra of solids are often dominated by atomic or molecular effects, which clearly manifest themselves in the gross features of the spectra and the fine structure at inner shell excitation thresholds. Evidence for the influence of atomic and molecular matrix elements, multiplet-splitting and correlation is presented. Special emphasis is given to the direct experimental verification based on the comparison of atomic and solid state spectra. (orig.) [de

  2. A method to enhance the resolution of broadened spectra

    Energy Technology Data Exchange (ETDEWEB)

    Cabral P, A.; Jimenez D, H.; Torres V, M.; Azorin N, J.; Gutierrez C, A.; Gonzalez M, P.R.; Lopez E, J. [ININ, 52045 Ocoyoacac, Estado de Mexico (Mexico); Fuentes Z, G.A.; Cordoba, A. [UAM-I, 09340 Mexico D.F. (Mexico)

    1992-02-15

    A deconvolution method to analyze line overlapping broadened spectra is presented. Two approximation expressions from which the user can remove, either a Lorentzian or a Gaussian line from observed spectra are utilized. Moessbauer spectra, EPR and Thermoluminescence spectroscopies are analyzed. It is shown that in each case, the de convolved spectrum may provide valuable data to get a much closer characterization of a substance. (Author)

  3. Physical aspects of electron emission spectra shape for ferroelectrics-electrets

    International Nuclear Information System (INIS)

    Kolesnikov, V.V.; Kozakov, A.T.

    2002-01-01

    One introduces a theoretical approach establishing a link between the peculiarities of spectrum of electron emission from ferroelectrics-electrets and the behavior of potential at a specimen surface. From these points of view one analyzes physical nature of the key peculiarities in the experimental spectra. One points out strong effect of electret charge relaxation on their shape due to bifurcation (branching) of peculiarities in a spectrum. A complex shape of spectrum of electron emission from ferroelectrics-electrets results from peculiarities of distribution of electrical field and polarization along their surface [ru

  4. Determination of the Light Element Fraction in MSL APXS Spectra

    Science.gov (United States)

    Perrett, G. M.; Pradler, I.; Campbell, J. L.; Gellert, R.; Leshin, L. A.; Schmidt, M. E.; Team, M.

    2013-12-01

    Additional light invisible components (ALICs), measured using the alpha particle X-ray spectrometer (APXS), represent all light elements (e.g. CO3, OH, H2O) present in a sample below Na, excluding bound oxygen. The method for quantifying ALICs was originally developed for the Mars Exploration Rover (MER) APXS (Mallet et al, 2006; Campbell et al, 2008). This method has been applied to data collected by the Mars Science Laboratory (MSL) APXS up to sol 269 using a new terrestrial calibration. ALICs are investigated using the intensity ratio of Pu L-alpha Compton and Rayleigh scatter peaks (C/R). Peak areas of the scattered X-rays are determined by the GUAPX fitting program. This experimental C/R is compared to a Monte Carlo simulated C/R. The ratio of simulated and experimental C/R values is called the K-value. ALIC concentrations are calculated by comparing the K-value to the fraction of all invisibles present; the invisible fraction is produced from the spectrum fit by GUAPX. This method is applied to MSL spectra with long integration duration (greater than 3 hours) and with energy resolution less than 180 eV at 5.9 keV. These overnight spectra encompass a variety of geologic materials examined by the Curiosity Rover, including volcanic and sedimentary lithologies. Transfer of the K-value calibration produced in the lab to the flight APXS has been completed and temperature, geometry and spectrum duration effects have been thoroughly examined. A typical limit of detection of ALICs is around 5 wt% with uncertainties of approximately 5 wt%. Accurate elemental concentrations are required as input to the Monte Carlo program (Mallet et al, 2006; Lee, 2010). Elemental concentrations are obtained from the GUAPX code using the same long duration, good resolution spectra used for determining the experimental C/R ratios (Campbell et al. 2012). Special attention was given to the assessment of Rb, Sr, and Y as these element peaks overlap the scatter peaks. Mineral effects

  5. X ray spectra measurement using a CdTe detector

    International Nuclear Information System (INIS)

    Kurkova, D.; Judas, L.

    2014-01-01

    X ray spectra were measured using a CdTe XR-100T detector (Amptek). Spectra of N series were measured (according to ISO 4037-1:1996): from N60 to N150 for anode voltage of the tube 60-150 kV, realised by x ray tubeIsovolt Titan in dosimetric laboratory SURO, v.v.i.. Two sets of spectra were measured - first without using the tungsten collimator kit of the spectrometer, in a distance of 7 m from x ray tube and low tube current and second using a tungsten collimator kit measured in a distance 1 m from x ray tube focus and low tube current. Elimination of random coincidences was achieved by reduction of counting rates on the detection system. Further artefacts in measured spectra were compensated using an analytic response matrix. Response matrix was computed and subsequently applied in a program made in MATLAB. We demonstrate a function of response matrix on both model physical spectra and measured spectra. In consequence of mainly continuous character of measured spectra more parameters are needed for its description compared to the line spectra. Therefore we came up with additional parameters for characterization and mutual comparison of x ray spectra. (authors)

  6. Neutron Spectra and H*(10) in a 15 MV Linac

    International Nuclear Information System (INIS)

    Benites, J.; Vega-Carrillo, H. R.; Hernandez-Davila, V. M.; Rivera, T.; Carrillo, A.; Mondragon, R.

    2010-01-01

    Neutron spectra and the ambient dose equivalent were calculated inside the bunker of a 15 MV Varian linac model CLINAC iX. Calculations were carried out using Monte Carlo methods. Neutron spectra in the vicinity of isocentre show the presence of evaporation and knock-on neutrons produced by the source term, while epithermal and thermal neutron remain constant regardless the distance respect to isocentre, due to room return. Along the maze neutron spectra becomes softer as the detector moves along the maze. The ambient dose equivalent is decreased but do not follow the 1/r 2 rule due to changes in the neutron spectra.

  7. TES/Aura L1B Spectra Limb V004

    Data.gov (United States)

    National Aeronautics and Space Administration — TES Level 1B Spectra data contain radiometric calibrated spectral radiances and their corresponding noise equivalent spectral radiances (NESR). The geolocation,...

  8. [Experimental study on spectra of compressed air microwave plasma].

    Science.gov (United States)

    Liu, Yong-Xi; Zhang, Gui-Xin; Wang, Qiang; Hou, Ling-Yun

    2013-03-01

    Using a microwave plasma generator, compressed air microwave plasma was excited under 1 - 5 atm pressures. Under different pressures and different incident microwave power, the emission spectra of compressed air microwave plasma were studied with a spectra measuring system. The results show that continuum is significant at atmospheric pressure and the characteristic will be weakened as the pressure increases. The band spectra intensity will be reduced with the falling of the incident microwave power and the band spectra were still significant. The experimental results are valuable to studying the characteristics of compressed air microwave plasma and the generating conditions of NO active groups.

  9. System of pattern analysis of PIXE spectra

    Energy Technology Data Exchange (ETDEWEB)

    Murozono, K.; Iwasaki, S.; Inoue, J.; Ishii, K.; Kitamura, M. [Tohoku Univ., Sendai (Japan). Faculty of Engineering; Sera, K.; Futatsugawa, S.

    1996-07-01

    We have developed an analysis system based on the pattern analysis method. By testing the system, several difficulties of the present method have been identified. We found the following solutions for them: pre-selection of candidate elements in a sample and the use of a proper absorber. The pre-selection of the candidate elements will not be a serious drawback in the industrial PIXE, because it will be easy to pre-process the spectra for a few samples in the beginning of the mass processing of samples of the same kind. On the other hand, reduction of the efficiency due to the use of funny filter is significant only in the lower energy region, where we usually do not suffer from insufficient yields of lighter elements in common samples. The selection of the most suitable filter requires PIXE user to be deeply experienced. In particular, it is not easy to choose the best filter to suppress the yield of peak of an abundant element as the absorption edge filter. It will be important task to find a set of suitable combination of representative samples and corresponding filters. Furthermore, the peak profile model should be improved from the simple Gaussian approximation to more realistic ones with exponential tail, flat component below the peak and escape peaks, etc. It is also necessary to develop a theoretical approach for the background shape of the bremsstrahlung. (J.P.N.)

  10. Absorption Spectra of Gold Nanoparticle Suspensions

    Science.gov (United States)

    Anan'eva, M. V.; Nurmukhametov, D. R.; Zverev, A. S.; Nelyubina, N. V.; Zvekov, A. A.; Russakov, D. M.; Kalenskii, A. V.; Eremenko, A. N.

    2018-02-01

    Three gold nanoparticle suspensions are obtained, and mean radii in distributions - (6.1 ± 0.2), (11.9 ± 0.3), and (17.3 ± 0.7) nm - are determined by the transmission electron microscopy method. The optical absorption spectra of suspensions are obtained and studied. Calculation of spectral dependences of the absorption index of suspensions at values of the gold complex refractive index taken from the literature showed a significant deviation of experimental and calculated data in the region of 450-800 nm. Spectral dependences of the absorption of suspensions are simulated within the framework of the Mie-Drude theory taking into account the interband absorption in the form of an additional term in the imaginary part of the dielectric permittivity of the Gaussian type. It is shown that to quantify the spectral dependences in the region of the plasmon absorption band of nanoparticles, correction of the parameters of the interband absorption is necessary in addition to the increase of the relaxation parameter of the Drude theory. Spectral dependences of the dielectric permittivity of gold in nanodimensional state are refined from the solution of the inverse problem. The results of the present work are important for predicting the special features of operation of photonic devices and optical detonators based on gold nanoparticles.

  11. Holographic encoding of universality in corner spectra

    Science.gov (United States)

    Huang, Ching-Yu; Wei, Tzu-Chieh; Orús, Román

    2017-05-01

    In numerical simulations of classical and quantum lattice systems, 2D corner transfer matrices (CTMs) and 3D corner tensors (CTs) are a useful tool to compute approximate contractions of infinite-size tensor networks. In this paper we show how the numerical CTMs and CTs can be used, additionally, to extract universal information from their spectra. We provide examples of this for classical and quantum systems, in 1D, 2D, and 3D. Our results provide, in particular, practical evidence for a wide variety of models of the correspondence between d -dimensional quantum and (d +1 ) -dimensional classical spin systems. We show also how corner properties can be used to pinpoint quantum phase transitions, topological or not, without the need for observables. Moreover, for a chiral topological PEPS we show by examples that corner tensors can be used to extract the entanglement spectrum of half a system, with the expected symmetries of the S U (2) k Wess-Zumino-Witten model describing its gapless edge for k =1 ,2 . We also review the theory behind the quantum-classical correspondence for spin systems and provide a numerical scheme for quantum state renormalization in 2D using CTs. Our results show that bulk information of a lattice system is encoded holographically in efficiently-computable properties of its corners.

  12. Lyman Limit Absorbers in GALEX Spectra

    Science.gov (United States)

    Williger, Gerard M.; Haberzettl, Lutz G.; Ribaudo, Joseph; Kuchner, Marc J.; Burchett, Joseph; Clowes, Roger G.; Lauroesch, James T.; Mills, Brianna; Borden, Jeremy

    2018-01-01

    We describe the method and early results for crowdsourcing a search for low-redshift partial and complete Lyman Limit Systems (pLLSs and LLSs) in the GALEX spectral archive. LLSs have been found in large numbers at z>3 and traced to lower redshift through a relatively small number of QSO spectra from spaced-based telescopes. From a sample of 44 pLLSs and 11 LLSs at 0.1 = -0.32 +/- 0.07 and the low-metallicity portion centered at = -1.87 +/- 0.11.The GALEX spectral archive offers a vast dataset potentially containing hundreds of LLSs, which may be leveraged to search for such a bimodality and track its evolution within the unconstrained near-UV gap at 1scientists in the public at large. We will then vet candidate systems and estimate column densities in a follow-up analysis. Upon assessing the accuracy of the physics majors’ identifications, the results will be used to devise a larger program with the help of the general public. The resulting data set would then provide the best available link between the HST-selected far-UV and ground-based pLLS+LLS samples and provide an ideal sample for consequent metallicity determinations.

  13. The Global Signature of Ocean Wave Spectra

    Science.gov (United States)

    Portilla-Yandún, Jesús

    2018-01-01

    A global atlas of ocean wave spectra is developed and presented. The development is based on a new technique for deriving wave spectral statistics, which is applied to the extensive ERA-Interim database from European Centre of Medium-Range Weather Forecasts. Spectral statistics is based on the idea of long-term wave systems, which are unique and distinct at every geographical point. The identification of those wave systems allows their separation from the overall spectrum using the partition technique. Their further characterization is made using standard integrated parameters, which turn out much more meaningful when applied to the individual components than to the total spectrum. The parameters developed include the density distribution of spectral partitions, which is the main descriptor; the identified wave systems; the individual distribution of the characteristic frequencies, directions, wave height, wave age, seasonal variability of wind and waves; return periods derived from extreme value analysis; and crossing-sea probabilities. This information is made available in web format for public use at http://www.modemat.epn.edu.ec/#/nereo. It is found that wave spectral statistics offers the possibility to synthesize data while providing a direct and comprehensive view of the local and regional wave conditions.

  14. Optimisation of electronic interface properties of a-Si:H/c-Si hetero-junction solar cells by wet-chemical surface pre-treatment

    International Nuclear Information System (INIS)

    Angermann, H.; Korte, L.; Rappich, J.; Conrad, E.; Sieber, I.; Schmidt, M.; Huebener, K.; Hauschild, J.

    2008-01-01

    The relation between structural imperfections at structured silicon surfaces, energetic distribution of interface state densities, recombination loss at a-Si:H/c-Si interfaces and solar cell characteristics have been intensively investigated using non-destructive, surface sensitive techniques, surface photovoltage (SPV) and photoluminescence (PL) measurements, atomic force microscopy (AFM) and electron microscopy (SEM). Sequences of wet-chemical oxidation and etching steps were optimised with respect to the etching behaviour of Si(111) pyramids. Special wet-chemical smoothing and oxide removal procedures for structured substrates were developed, in order to reduce the preparation-induced surface micro-roughness and density of electronically active defects. H-termination and passivation by wet-chemical oxides were used to inhibit surface contamination and native oxidation during the technological process. We achieved significantly lower micro-roughness, densities of surface states D it (E) and recombination loss at a-Si:H/c-Si interfaces on wafers with randomly distributed pyramids, compared to conventional pre-treatments. For amorphous-crystalline hetero-junction solar cells (ZnO/a-Si:H/c-Si/BSF/Al), the c-Si surface becomes part of the a-Si:H/c-Si interface, whose recombination activity determines cell performance. With textured substrates, the smoothening procedure results in a significant increase of short circuit current, fill factor and efficiency

  15. Computation of bremsstrahlung X-ray spectra and comparison with spectra measured with a Ge(Li) detector

    International Nuclear Information System (INIS)

    Birch, R.; Marshall, M.

    1979-01-01

    A method of computing theoretical X-ray spectra in the range 30 to 150 kV is presented. The theoretical spectra have been compared with constant potential, high resolution spectra from a tungsten target measured with a Ge(Li) detector, for a range of target angles, tube voltage and filtrations. Above 100 kV the spectra were also measured with a NaI detector but, as there was good agreement between the Ge(Li) and NaI detectors, only the former are presented. Spectra computed using Kramers' theory are also included for comparison, giving fairly good agreement at large target angles (30 0 ) but becoming gradually worse as the target angle decreased. Spectra may be computed by this method for any desired filtration, target angle, and tube voltage between 30 and 150 kV, in excellent agreement with the measured data. (author)

  16. The influence of magnetic field geometry on magnetars X-ray spectra

    International Nuclear Information System (INIS)

    Viganò, D; Pons, J A; Miralles, J A; Parkins, N; Zane, S; Turolla, R

    2012-01-01

    Nowadays, the analysis of the X-ray spectra of magnetically powered neutron stars or magnetars is one of the most valuable tools to gain insight into the physical processes occurring in their interiors and magnetospheres. In particular, the magnetospheric plasma leaves a strong imprint on the observed X-ray spectrum by means of Compton up-scattering of the thermal radiation coming from the star surface. Motivated by the increased quality of the observational data, much theoretical work has been devoted to develop Monte Carlo (MC) codes that incorporate the effects of resonant Compton scattering (RCS) in the modeling of radiative transfer of photons through the magnetosphere. The two key ingredients in this simulations are the kinetic plasma properties and the magnetic field (MF) configuration. The MF geometry is expected to be complex, but up to now only mathematically simple solutions (self-similar solutions) have been employed. In this work, we discuss the effects of new, more realistic, MF geometries on synthetic spectra. We use new force-free solutions [14] in a previously developed MC code [9] to assess the influence of MF geometry on the emerging spectra. Our main result is that the shape of the final spectrum is mostly sensitive to uncertain parameters of the magnetospheric plasma, but the MF geometry plays an important role on the angle-dependence of the spectra.

  17. Compositional Diversity of the Vestan Regolith Derived from Howardite Compositions and Dawn VIR Spectra

    Science.gov (United States)

    Mittlefehldt, D. W.; Ammannito, E.; Hiroi, T.; DeAngeles, S.; Moriarty, D. P.; DiIorio, T.; Pieters, C. M.; DeSanctis, M. C.

    2014-01-01

    Howardite, eucrite and diogenite meteorites likely come from asteroid 4 Vesta [1]. Howardites - physical mixtures of eucrites and diogenites - are of two subtypes: regolithic howardites were gardened in the true regolith; fragmental howardites are simple polymict breccias [2]. The Dawn spacecraft imaged the howarditic surface of Vesta with the visible and infrared mapping spectrometer (VIR) resulting in qualitative maps of the distributions of distinct diogenite-rich and eucrite-rich terranes [3, 4]. We are developing a robust basis for quantitative mapping of the distribution of lithologic types using spectra acquired on splits of well-characterized howardites [5, 6]. Spectra were measured on sample powders sieved to Astrofisica e Planetologia Spaziali and Brown University. Data reduction was done using the methods developed to process Dawn VIR spectra [4]. The band parameters for the 1 and 2 µm pyroxene absorption features (hereafter BI and BII) can be directly compared to Dawn VIR results. Regolithic howardites have shallower BI and BII absorptions compared to fragmental howardites with similar compositions. However, there are statistically significant correlations between Al or Ca contents and BI or BII center wavelengths regardless of howardite subtype. Diogenites are poor in Al and Ca while eucrites are rich in these elements. The laboratory spectra can thus be directly correlated with the percentage of eucrite material contained in the howardites. We are using these correlations to quantitatively map Al and Ca distributions, and thus the percentage of eucritic material, in the current regolith of Vesta.

  18. Laser gain spectra of quantum wells and multiplasmon optical transitions

    International Nuclear Information System (INIS)

    Gurau, V.

    2005-01-01

    A novel multi-plasmon concept of a light absorption and laser gain of low-dimensional structures are comprehensively discussed. A Generalized Semiconductor Bloch Equations are derived with account of multi-plasmon optical transitions in direct gap quantum wells, using the cumulant expansion method and fluctuation-dissipation theorem. We present results of computer simulations concerning gain spectra of In 0.05 Ga 0.95 As quantum wells with account of multiplasmon optical transitions in two-dimensional systems. Multi-quantum LO-phonon-plasmon optical transitions are investigated with account of coherent memory effects in quantum wells. It is shown that a red shift of the absorption edge can be caused, not only by known mechanism of band gap shrinkage, but also by multi-plasmon transitions. The electron-hole plasma properties in the active region of the laser device and its interaction with the optical field are studied on a microscopic level using obtained Generalized Semiconductor Bloch Equations. The comparison with other theories and experimental data measured in In 0.05 Ga 0.95 As quantum wells is performed. The gain value g=50 cm -1 in 8 nm In 0.05 Ga 0.95 As quantum wells is obtained at a surface density of electrons nd 0 =1.64 10 -12 cm -2 . (authors)

  19. Effect of Shear Applied During a Pharmaceutical Process on Near Infrared Spectra.

    Science.gov (United States)

    Hernández, Eduardo; Pawar, Pallavi; Rodriguez, Sandra; Lysenko, Sergiy; Muzzio, Fernando J; Romañach, Rodolfo J

    2016-03-01

    This study describes changes observed in the near-infrared (NIR) diffuse reflectance (DR) spectra of pharmaceutical tablets after these tablets were subjected to different levels of strain (exposure to shear) during the mixing process. Powder shearing is important in the mixing of powders that are cohesive. Shear stress is created in a system by moving one surface over another causing displacements in the direction of the moving surface and is part of the mixing dynamics of particulates in many industries including the pharmaceutical industry. In continuous mixing, shear strain is developed within the process when powder particles are in constant movement and can affect the quality attributes of the final product such as dissolution. These changes in the NIR spectra could affect results obtained from NIR calibration models. The aim of the study was to understand changes in the NIR diffuse reflectance spectra that can be associated with different levels of strain developed during blend shearing of laboratory samples. Shear was applied using a Couette cell and tablets were produced using a tablet press emulator. Tablets with different shear levels were measured using NIR spectroscopy in the diffuse reflectance mode. The NIR spectra were baseline corrected to maintain the scattering effect associated with the physical properties of the tablet surface. Principal component analysis was used to establish the principal sources of variation within the samples. The angular dependence of elastic light scattering shows that the shear treatment reduces the size of particles and produces their uniform and highly isotropic distribution. Tablet compaction further reduces the diffuse component of scattering due to realignment of particles. © The Author(s) 2016.

  20. Fitting the curve in Excel® : Systematic curve fitting of laboratory and remotely sensed planetary spectra

    NARCIS (Netherlands)

    McCraig, M.A.; Osinski, G.R.; Cloutis, E.A.; Flemming, R.L.; Izawa, M.R.M.; Reddy, V.; Fieber-Beyer, S.K.; Pompilio, L.; van der Meer, F.D.; Berger, J.A.; Bramble, M.S.; Applin, D.M.

    2017-01-01

    Spectroscopy in planetary science often provides the only information regarding the compositional and mineralogical make up of planetary surfaces. The methods employed when curve fitting and modelling spectra can be confusing and difficult to visualize and comprehend. Researchers who are new to

  1. Measuring temperature and ammonia hydrate ice on Charon in 2015 from Keck/OSIRIS spectra

    Science.gov (United States)

    Holler, B. J.; Young, L. A.; Buie, M. W.; Grundy, W. M.; Lyke, J. E.; Young, E. F.; Roe, H. G.

    2017-03-01

    In this work we investigated the longitudinal (zonal) variability of H2O and ammonia (NH3) hydrate ices on the surface of Charon through analysis of the 1.65 μm and 2.21 μmabsorption features, respectively. Near-infrared spectra presented here were obtained between 2015-07-14 and 2015-08-30 UT with the OSIRIS integral field spectrograph on Keck I. Spectra centered on six different sub-observer longitudes were obtained through the Hbb (1.473-1.803 μm) and Kbb (1.965-2.381 μm) filters. Gaussian functions were fit to the aforementioned bands to obtain information on band center, band depth, full width at half maximum, and band area. The shift in the band center of the temperature-dependent 1.65 μm feature was used to calculate the H2O ice temperature. The mean temperature of the ice on the observable portion of Charon's surface is 45 ± 14 K and we report no statistically significant variations in temperature across the surface. We hypothesize that the crystalline and amorphous phases of water ice reached equilibrium over 3.5 Gyr ago, with thermal recrystallization balancing the effects of irradiation amorphization. We do not believe that cryovolcanism is necessary to explain the presence of crystalline water ice on the surface of Charon. Absorption from ammonia species is detected between 12° and 290°, in agreement with results from New Horizons. Ongoing diffusion of ammonia through the rocky mantle and upper layer of water ice is one possible mechanism for maintaining its presence in Charon's surface ice. Reduced Charon spectra corrected for telluric and solar absorption are available as supplementary online material.

  2. Fluorescence emission spectra of calcofluor stained yeast cell suspensions: heuristic assessment of basis spectra for their linear unmixing.

    Science.gov (United States)

    Plášek, Jaromír; Dostál, Marek; Gášková, Dana

    2012-07-01

    Fluorescence emission spectra of yeast cell suspensions stained with calcofluor have recently been identified as promising markers of variations in the quality of yeast cell wall. It is shown in this paper how the raw fluorescence spectra of calcofluor can be transformed to reliable spectral signatures of cell wall quality, which are independent of actual dye-to-cell concentrations of examined cell suspensions. Moreover, the presented approach makes it possible to assess basis fluorescence spectra that allows for the spectral unmixing of raw fluorescence spectra in terms of respective fluorescence contributions of calcofluor solvated in the suspension medium and bound to yeast cell walls.

  3. High reduction of interfacial charge recombination in colloidal quantum dot solar cells by metal oxide surface passivation.

    Science.gov (United States)

    Chang, Jin; Kuga, Yuki; Mora-Seró, Iván; Toyoda, Taro; Ogomi, Yuhei; Hayase, Shuzi; Bisquert, Juan; Shen, Qing

    2015-03-12

    Bulk heterojunction (BHJ) solar cells based on colloidal QDs and metal oxide nanowires (NWs) possess unique and outstanding advantages in enhancing light harvesting and charge collection in comparison to planar architectures. However, the high surface area of the NW structure often brings about a large amount of recombination (especially interfacial recombination) and limits the open-circuit voltage in BHJ solar cells. This problem is solved here by passivating the surface of the metal oxide component in PbS colloidal quantum dot solar cells (CQDSCs). By coating thin TiO2 layers onto ZnO-NW surfaces, the open-circuit voltage and power conversion efficiency have been improved by over 40% in PbS CQDSCs. Characterization by transient photovoltage decay and impedance spectroscopy indicated that the interfacial recombination was significantly reduced by the surface passivation strategy. An efficiency as high as 6.13% was achieved through the passivation approach and optimization for the length of the ZnO-NW arrays (device active area: 16 mm2). All solar cells were tested in air, and exhibited excellent air storage stability (without any performance decline over more than 130 days). This work highlights the significance of metal oxide passivation in achieving high performance BHJ solar cells. The charge recombination mechanism uncovered in this work could shed light on the further improvement of PbS CQDSCs and/or other types of solar cells.

  4. Indirect measurements of X-ray spectra

    International Nuclear Information System (INIS)

    Mainardi, R.T.

    2006-01-01

    To the effects of measuring the spectral distribution of the radiation emitted by the x-ray tubes and electron accelerators, numerous procedures that are grouped in two big categories exist at the present time: direct and indirect methods. The first ones use high resolution detectors that should be positioned, together with the appropriate collimator, in the direction of the x ray beam. The user should be an expert in the use and correction of the obtained data by the different effects that affect the detector operation such as efficiency and resolution in terms of the energy of the detected radiation. The indirect procedures, although its are more simple to use, its also require a considerable space along the beam to position the ionization chamber and the necessary absorbents to construct by this way the denominated attenuation curve. We will analyze the operation principle of the indirect methods and a new proposal in which such important novelties are introduced as the beam dispersion to avoid to measure along the main beam and that of determination of the attenuation curve in simultaneous form. By this way, with a single shot of the tube, the attenuation curve is measured, being necessary at most a shot of additional calibration to know the relative response of the detectors used in the experimental array. The physical processes involved in the obtaining of an attenuation curve are very well well-known and this it finishes it can be theoretically calculated if the analytic form of the spectrum is supposed well-known. Finally, we will see a spectra reconstruction example with the Kramers parametric form and comparisons with numeric simulations carried out with broadly validated programs as well as the possibility of the use of solid state dosemeters in the obtention of the attenuation curve. (Author)

  5. Specdata: Automated Analysis Software for Broadband Spectra

    Science.gov (United States)

    Oliveira, Jasmine N.; Martin-Drumel, Marie-Aline; McCarthy, Michael C.

    2017-06-01

    With the advancement of chirped-pulse techniques, broadband rotational spectra with a few tens to several hundred GHz of spectral coverage are now routinely recorded. When studying multi-component mixtures that might result, for example, with the use of an electrical discharge, lines of new chemical species are often obscured by those of known compounds, and analysis can be laborious. To address this issue, we have developed SPECdata, an open source, interactive tool which is designed to simplify and greatly accelerate the spectral analysis and discovery. Our software tool combines both automated and manual components that free the user from computation, while giving him/her considerable flexibility to assign, manipulate, interpret and export their analysis. The automated - and key - component of the new software is a database query system that rapidly assigns transitions of known species in an experimental spectrum. For each experiment, the software identifies spectral features, and subsequently assigns them to known molecules within an in-house database (Pickett .cat files, list of frequencies...), or those catalogued in Splatalogue (using automatic on-line queries). With suggested assignments, the control is then handed over to the user who can choose to accept, decline or add additional species. Data visualization, statistical information, and interactive widgets assist the user in making decisions about their data. SPECdata has several other useful features intended to improve the user experience. Exporting a full report of the analysis, or a peak file in which assigned lines are removed are among several options. A user may also save their progress to continue at another time. Additional features of SPECdata help the user to maintain and expand their database for future use. A user-friendly interface allows one to search, upload, edit or update catalog or experiment entries.

  6. Theoretical modelling of actinide spectra in solution

    International Nuclear Information System (INIS)

    Danilo, Cecile

    2009-01-01

    The framework of this PhD is the interpretation of Nuclear Magnetic Relaxation Dispersion experiments performed on solvated U 4+ , NpO 2 + and PuO 2 2+ , which all have a f 2 configuration. Unexpectedly the two actinyl ions have a much higher relaxivity than U 4+ ,. One possible explanation is that the electronic relaxation rate is faster for Uranium(IV) than for the actinyl ions. We address this problem by exploring the electronic spectrum of the three compounds in gas phase and in solution with a two-step SOCI (Spin-Orbit Configuration-Interaction) method. The influence of electron correlation (treated in the first step) and spin-orbit relaxation effects (considered in the second step) has been discussed thoroughly. Solvent effects have been investigated as well. Another issue that has been questioned is the accuracy of Density Functional Theory for the study of actinide species. This matter has been discussed by comparing its performance to wave-function based correlated methods. The chemical problem chosen was the water exchange in [UO 2 2+ (H 2 O) 5 ]. We looked at the associative and at the dissociative mechanisms using a model with one additional water in the second hydration sphere. The last part of the thesis dealt with the spectroscopy of coordinated Uranyl(V). Absorption spectrum of Uranyl(V) with various ligands has been recorded. The first sharp absorption bands in the Near-Infrared region were assigned to the Uranium centered 5f-5f transitions, but uncertainties remained for the assignment of transitions observed in the Visible region. We computed the spectra of naked UO 2 + and [UO 2 (CO 3 ) 3 ] 5- to elucidate the spectral changes induced by the carbonate ligands. (author) [fr

  7. BASACF, Integral Neutron Spectra Adjustment and Dosimetry

    International Nuclear Information System (INIS)

    Tichy, Milos

    1996-01-01

    1 - Description of program or function: Adjustment of a neutron spectrum based on integral detector measurements and calculation of an integral dosimetric quantity (integral flux, d.p.a., dose equivalent) and its variance. The program requires measured data (activities and their covariance matrix) and a priori information (spectrum, dosimetry cross sections, integral quantity conversion factor and their covariance matrices). All a priori covariance matrices can be read in from a file prepared by some other code or can be generated by means of three different methods (by subroutines included in the program). A subroutine which can normalize the a priori flux to measured data is also included. The program provides also adjusted dosimetry cross sections (with covariance matrix) so that it can be used for an adjustment of cross sections (or response functions of e.g. Bonner balls) by measurements in well-known neutron spectra. 2 - Method of solution: Bayesian theorem on conditional probability applied to linearized relation between activities, dosimetry cross sections and flux. All probability distributions are supposed to be normal and this supposition leads to minimizing of the same functional as least squares method (STAY'SL). This task is solved by a covariance filter method which avoids any matrix inversion and is numerically robust and stable. 3 - Restrictions on the complexity of the problem: This version can use 45 energy groups and 5 detectors and occupies 310 kB of main memory. This restriction can be modified according to available memory. The covariance matrix of activities is supposed diagonal. A solution is produced for any set of input data but in the case of non-consistent data, when measured activities do not match the a priori flux, the solution is not very meaningful

  8. Measuring Transmission Spectra from the Ground

    Science.gov (United States)

    Jordan, Andres; Espinoza, Nestor; Eyheramendy, Susana

    2015-08-01

    Transmission spectroscopy allows study of the atmospheres of exoplanets without the need of spatially resolving them from their parent stars and is one of the most valuable follow-up possibilities offered by transiting systems. The measurement of a transmission spectrum, i.e. the apparent planetary size in units in the stellar radius as a function of wavelength, is conceptually simple, but the expected features that need to be discerned are on the order of one part in a thousand or less, and need to be extracted against a background of (potentially correlated) noise and systematic effects with amplitudes greatly exceeding that of the sought signal. In this talk I will describe how we have tackled the estimation of transmission spectra in a ground based survey we are carrying out with IMACS at Las Campanas Observatory, the Arizona-CfA-Catolica Exoplanet Spectroscopy Survey. Our treatment assumes an additive model consisting of the signal, common systematics and one of a set of stochastic processes with different memory characteristics for the noise. Common systematics are estimated from comparison stars using principal component analysis and the model parameter posterior distributions are estimated using MCMC. Model comparison is used to let the data select the model with the most appropriate noise component. I will illustrate the performance of our approach, and discuss possible avenues of improvement. I will also illustrate the importance of potential biases arising from our incomplete knowledge of stellar properties. In particular, I will show that limb darkening assumptions can limit the accuracy of our estimates of planetary radii above the achievable precisions in regimes currently being probed.

  9. Surface-enhanced Raman spectroscopy of DNA bases

    NARCIS (Netherlands)

    Otto, Cornelis; van den Tweel, T.J.J.; de Mul, F.F.M.; Greve, Jan

    1986-01-01

    A Raman microprobe has been used to measure the surface-enhanced Raman spectra of adenine, guanine, cytosine and thymine. Comparison of the SERS spectrum with solution spectra shows that some line positions are not influenced by the adsorption process while others show large shifts. In the SERS

  10. Transverse momentum spectra of the produced hadrons at SPS ...

    Indian Academy of Sciences (India)

    Experimental transverse mass spectra of produced pions, kaons and protons for nucleon–nucleus (pA) and nucleus–nucleus (AA) collisions showing the effect pT broadening with mass of hadrons. The spectra have been arbitrarily normalized to 10 and 1 at the lowest momentum bin for pA and AA collisions, respectively.

  11. Microscopic study of low-lying yrast spectra and deformation ...

    Indian Academy of Sciences (India)

    Bogoliubov (HB) ansatz have been carried out for A = 98–106 strontium isotopes. In this framework, the yrast spectra with JΠ ≥ 10+, B(E2) transition probabilities, quadrupole deformation parameter and occupation numbers for various shell model orbits have been obtained. The results of the calculation for yrast spectra ...

  12. "Perfecting" WATERGATE: clean proton NMR spectra from aqueous solution.

    Science.gov (United States)

    Adams, Ralph W; Holroyd, Chloe M; Aguilar, Juan A; Nilsson, Mathias; Morris, Gareth A

    2013-01-14

    A simple modification of the WATERGATE solvent suppression method greatly improves the quality of (1)H NMR spectra obtainable from samples in H(2)O. The new method allows (1)H signals to be measured even when close in chemical shift to the signal of water, as for example in the NMR spectra of carbohydrates.

  13. Calculation of power spectra for block coded signals

    DEFF Research Database (Denmark)

    Justesen, Jørn

    2001-01-01

    We present some improvements in the procedure for calculating power spectra of signals based on finite state descriptions and constant block size. In addition to simplified calculations, our results provide some insight into the form of the closed expressions and to the relation between the spectra...

  14. Spectroscopic identification of individual fluorophores using photoluminescence excitation spectra.

    Science.gov (United States)

    Czerski, J; Colomb, W; Cannataro, F; Sarkar, S K

    2018-01-25

    The identity of a fluorophore can be ambiguous if other fluorophores or nonspecific fluorescent impurities have overlapping emission spectra. The presence of overlapping spectra makes it difficult to differentiate fluorescent species using discrete detection channels and unmixing of spectra. The unique absorption and emission signatures of fluorophores provide an opportunity for spectroscopic identification. However, absorption spectroscopy may be affected by scattering, whereas fluorescence emission spectroscopy suffers from signal loss by gratings or other dispersive optics. Photoluminescence excitation spectra, where excitation is varied and emission is detected at a fixed wavelength, allows hyperspectral imaging with a single emission filter for high signal-to-background ratio without any moving optics on the emission side. We report a high throughput method for measuring the photoluminescence excitation spectra of individual fluorophores using a tunable supercontinuum laser and prism-type total internal reflection fluorescence microscope. We used the system to measure and sort the photoluminescence excitation spectra of individual Alexa dyes, fluorescent nanodiamonds (FNDs), and fluorescent polystyrene beads. We used a Gaussian mixture model with maximum likelihood estimation to objectively separate the spectra. Finally, we spectroscopically identified different species of fluorescent nanodiamonds with overlapping spectra and characterized the heterogeneity of fluorescent nanodiamonds of varying size. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

  15. Meson Spectra: Power Law Potential Model in the Dirac Equation ...

    African Journals Online (AJOL)

    A single mass-spectra potential model has been used to predict the spectra of both light and heavy mesons (including leptonic decay-widths) in the Dirac equation. In fact a power law potential has been proposed with effective power where is the mass of the constituent quarks (in GeV) of the mesons considered.

  16. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    The metal carbonate, MCO3 (M = Ca, Sr and Ba), was synthesized by a novel method of reacting aqueous solution of each of Ca2+, Sr2+ and Ba2+ salts with urea at high temperature, ∼ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the products are ...

  17. Soil carbon estimation from eucalyptus grandis using canopy spectra

    African Journals Online (AJOL)

    Mapping soil fertility parameters, such as soil carbon (C), is fundamentally important for forest management and research related to forest growth and climate change. This study seeks to establish the link between Eucalyptus grandis canopy spectra and soil carbon using raw and continuum-removed spectra. Canopy-level ...

  18. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    Unknown

    ... Sr2+ and Ba2+ salts with urea at high temperature, ~ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the products are the same as those of the corresponding commercially obtained carbonates. A general reaction describing the formation of MCO3 ...

  19. An Analysis of Spectra in the Red Rectangle Nebula

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... This paper presents an analysis of a series of spectra in the Red Rectangle nebula. Only the reddest part of the spectra can safely be attributed to light from the nebula, and indicates Rayleigh scattering by the gas, in conformity with the large angles of scattering involved and the proximity of the star. In the ...

  20. Classification of Stellar Spectra with Fuzzy Minimum Within-Class ...

    Indian Academy of Sciences (India)

    Classification is one of the important tasks in astronomy, especially in spectra analysis. Support Vector Machine (SVM) is a typical classification method, which is widely used in spectra classification. Although it performs well in practice, its classification accuracies can not be greatly improved because of two limitations.

  1. Classification of Stellar Spectra with Fuzzy Minimum Within-Class ...

    Indian Academy of Sciences (India)

    Liu Zhong-bao

    2017-06-19

    Jun 19, 2017 ... Abstract. Classification is one of the important tasks in astronomy, especially in spectra analysis. Support Vec- tor Machine (SVM) is a typical classification method, which is widely used in spectra classification. Although it performs well in practice, its classification accuracies can not be greatly improved ...

  2. CALCULATION OF CU 2P RESONANT PHOTOEMISSION SPECTRA IN CUO

    NARCIS (Netherlands)

    SEINO, Y; OGASAWARA, H; KOTANI, A; THOLE, BT; VANDERLAAN, G

    We investigated theoretically the Cu 2p resonance of 3d, 3p and 3s X-ray photoemission spectra (XPS) in CuO using a cluster model including multiplet coupling, crystal field and anisotropic hybridization. The spectra were calculated by taking into account the radiative transitions up to the first

  3. Distortions in power spectra of digitized signals - II: Suggested solution

    International Nuclear Information System (INIS)

    Njau, E.C.

    1982-04-01

    In Part I of this report we developed analytical expressions which represent exactly the energy density spectra of ''digitization processes'' that are essentially involved in spectral analysis of continuous signals. Besides, we related the spectral energy density of each digitization process to the parameters of the exact spectral energy density of the corresponding signal. On this basis, we briefly discussed the forms of distortions (or false structures) which are present in normally computed power spectra when the corresponding spectra of the digitization processes are not sufficiently decoupled from or nullified in the computed spectra. The biggest worry with regard to these distortions is not only that they may mask the actual information contained in the original signal, but also they may tempt the researcher to establish false characteristics about the signal involved. It is, in this context, that any reasonable method that could be used (even conditionally) to pinpoint false structures in computed power spectra would be both timely and useful. A simple, handy guidance through which some portions of computed energy density spectra which are dominated by the false structures mentioned above, can be located is presented herein. Equations are presented which give the various frequencies at which false peaks may be located in such ''contaminated'' portions of computed energy density spectra. The occurrence of frequency shifts in computed power spectra is also briefly discussed. (author)

  4. Surface plasmon polariton-induced hot carrier generation for photocatalysis.

    Science.gov (United States)

    Ahn, Wonmi; Ratchford, Daniel C; Pehrsson, Pehr E; Simpkins, Blake S

    2017-03-02

    Non-radiative plasmon decay in noble metals generates highly energetic carriers under visible light irradiation, which opens new prospects in the fields of photocatalysis, photovoltaics, and photodetection. While localized surface plasmon-induced hot carrier generation occurs in diverse metal nanostructures, inhomogeneities typical of many metal-semiconductor plasmonic nanostructures hinder predictable control of photocarrier generation and therefore reproducible carrier-mediated photochemistry. Here, we generate traveling surface plasmon polaritons (SPPs) at the interface between a noble metal/titanium dioxide (TiO 2 ) heterostructure film and aqueous solution, enabling simultaneous optical and electrochemical interrogation of plasmon-mediated chemistry in a system whose resonance may be continuously tuned via the incident optical excitation angle. To the best of our knowledge, this is the first experimental demonstration of SPP-induced hot carrier generation for photocatalysis. We found electrochemical photovoltage and photocurrent responses as SPP-induced hot carriers drive both solution-based oxidation of methanol and the anodic half-reaction of photoelectrochemical water-splitting in sodium hydroxide solution. A strong excitation angle dependence and linear power dependence in the electrochemical photocurrent confirm that the photoelectrochemical reactions are SPP-driven. SPP-generated hot carrier chemistry was recorded on gold and silver and with two different excitation wavelengths, demonstrating potential for mapping resonant charge transfer processes with this technique. These results will provide the design criteria for a metal-semiconductor hybrid system with enhanced hot carrier generation and transport, which is important for the understanding and application of plasmon-induced photocatalysis.

  5. Photosynthetic action spectra and adaptation to spectral light distribution in a benthic cyanobacterial mat

    Science.gov (United States)

    Jorgensen, B. B.; Cohen, Y.; Des Marais, D. J.

    1987-01-01

    We studied adaptation to spectral light distribution in undisturbed benthic communities of cyanobacterial mats growing in hypersaline ponds at Guerrero Negro, Baja California, Mexico. Microscale measurements of oxygen photosynthesis and action spectra were performed with microelectrodes; spectral radiance was measured with fiber-optic microprobes. The spatial resolution of all measurements was 0.1 mm, and the spectral resolution was 10 to 15 nm. Light attenuation spectra showed absorption predominantly by chlorophyll a (Chl a) (430 and 670 nm), phycocyanin (620 nm), and carotenoids (440 to 500 nm). Blue light (450 nm) was attenuated 10-fold more strongly than red light (600 nm). The action spectra of the surface film of diatoms accordingly showed activity over the whole spectrum, with maxima for Chl a and carotenoids. The underlying dense Microcoleus population showed almost exclusively activity dependent upon light harvesting by phycobilins at 550 to 660 nm. Maximum activity was at 580 and 650 nm, indicating absorption by phycoerythrin and phycocyanin as well as by allophycocyanin. Very little Chl a-dependent activity could be detected in the cyanobacterial action spectrum, even with additional 600-nm light to excite photosystem II. The depth distribution of photosynthesis showed detectable activity down to a depth of 0.8 to 2.5 mm, where the downwelling radiant flux at 600 nm was reduced to 0.2 to 0.6% of the surface flux.

  6. Accurate Gravities of F, G, and K stars from High Resolution Spectra Without External Constraints

    Science.gov (United States)

    Brewer, John M.; Fischer, Debra A.; Basu, Sarbani; Valenti, Jeff A.; Piskunov, Nikolai

    2015-06-01

    We demonstrate a new procedure to derive accurate and precise surface gravities from high resolution spectra without the use of external constraints. Our analysis utilizes Spectroscopy Made Easy with robust spectral line constraints and uses an iterative process to mitigate degeneracies in the fitting process. We adopt an updated radiative transfer code, a new treatment for neutral perturber broadening, a line list with multiple gravity constraints and separate fitting for global stellar properties and abundance determinations. To investigate the sources of temperature dependent trends in determining log {\\mkern 1mu} g noted in previous studies, we obtained Keck HIRES spectra of 42 Kepler asteroseismic stars. In comparison to asteroseismically determined log {\\mkern 1mu} g our spectroscopic analysis has a constant offset of 0.01 dex with a rms scatter of 0.05 dex. We also analyzed 30 spectra which had published surface gravities determined using the a/{{R}*} technique from planetary transits and found a constant offset of 0.06 dex and rms scatter of 0.07 dex. The two samples covered effective temperatures between 5000 and 6700 K with log {\\mkern 1mu} g between 3.7 and 4.6.

  7. Semiconductor-driven “turn-off” surface-enhanced Raman scattering spectroscopy: application in selective determination of chromium(vi) in water† †Electronic supplementary information (ESI) available: Detailed Benesi–Hildebrand plot, IR spectra, Raman assignments, and experiment optimization. See DOI: 10.1039/c4sc02618g Click here for additional data file.

    Science.gov (United States)

    Ji, Wei; Wang, Yue; Tanabe, Ichiro; Han, Xiaoxia

    2015-01-01

    Semiconductor materials have been successfully used as surface-enhanced Raman scattering (SERS)-active substrates, providing SERS technology with a high flexibility for application in a diverse range of fields. Here, we employ a dye-sensitized semiconductor system combined with semiconductor-enhanced Raman spectroscopy to detect metal ions, using an approach based on the “turn-off” SERS strategy that takes advantage of the intrinsic capacity of the semiconductor to catalyze the degradation of a Raman probe. Alizarin red S (ARS)-sensitized colloidal TiO2 nanoparticles (NPs) were selected as an example to show how semiconductor-enhanced Raman spectroscopy enables the determination of Cr(vi) in water. Firstly, we explored the SERS mechanism of ARS–TiO2 complexes and found that the strong electronic coupling between ARS and colloidal TiO2 NPs gives rise to the formation of a ligand-to-metal charge-transfer (LMCT) transition, providing a new electronic transition pathway for the Raman process. Secondly, colloidal TiO2 nanoparticles were used as active sites to induce the self-degradation of the Raman probe adsorbed on their surfaces in the presence of Cr(vi). Our data demonstrate the potential of ARS–TiO2 complexes as a SERS-active sensing platform for Cr(vi) in an aqueous solution. Remarkably, the method proposed in this contribution is relatively simple, without requiring complex pretreatment and complicated instruments, but provides high sensitivity and excellent selectivity in a high-throughput fashion. Finally, the ARS–TiO2 complexes are successfully applied to the detection of Cr(vi) in environmental samples. Thus, the present work provides a facile method for the detection of Cr(vi) in aqueous solutions and a viable application for semiconductor-enhanced Raman spectroscopy based on the chemical enhancement they contribute. PMID:28694937

  8. Magnetic circular dichroic spectra of cobalt(II) substituted metalloenzymes.

    Science.gov (United States)

    Holmquist, B; Kaden, T A; Vallee, B L

    1975-04-08

    The magnetic circular dichroic (MCD) spectra of cobalt(II) sugstituted metalloenzymes have been studied and compared to a series of four-, five-, and six-coordinate cobalt(II) model complexes previously examined (T. A. Kaden et al. (1974), Inorg. Chem. 13, 2582). The MCD spectra of cobalt substituted carboxypeptidase A, procarboxypeptidase ta, and thermolysin are consistent with earlier deductions of tetrahedral coordination from absorption spectra and also with X-ray structure analysis. Inhibitors fail to alter their MCD spectra significantly. The MCD spectra of cobalt alkaline phosphatase and carbonic anhydrase are more complex and their pH dependence and alteration by inhibitors are discussed in terms of known cobalt(II) models.

  9. Periodicity-Free Unfolding Method of Electronic Energy Spectra

    Science.gov (United States)

    Kosugi, Taichi; Nishi, Hirofumi; Kato, Yasuyuki; Matsushita, Yu-ichiro

    2017-12-01

    We propose a novel periodicity-free unfolding method of electronic energy spectra. Our new method solves the serious problem that a calculated electronic band structure strongly depends on the choice of the simulation cell, i.e., primitive cell or supercell. The present method projects the electronic states onto the free-electron states, giving rise to plane-wave unfolded spectra. Using the method, the energy spectra can be calculated as a quantity independent of the choice of the simulation cell. We examine the unfolded energy spectra in detail for the following three models and clarify the validity of our method: a one-dimensional two-chain model, monolayer graphene, and twisted bilayer graphene. We also discuss the relation between our present method and the spectra observed in angle-resolved photoemission spectroscopy (ARPES) experiments.

  10. Crystallographically-based analysis of the NMR spectra of maghemite

    International Nuclear Information System (INIS)

    Spiers, K.M.; Cashion, J.D.

    2012-01-01

    All possible iron environments with respect to nearest neighbour vacancies in vacancy-ordered and vacancy-disordered maghemite have been evaluated and used as the foundation for a crystallographically-based analysis of the published NMR spectra of maghemite. The spectral components have been assigned to particular configurations and excellent agreement obtained in comparing predicted spectra with published spectra taken in applied magnetic fields. The broadness of the published NMR lines has been explained by calculations of the magnetic dipole fields at the various iron sites and consideration of the supertransferred hyperfine fields. - Highlights: ► Analysis of 57 Fe NMR of maghemite based on vacancy ordering and nearest neighbour vacancies. ► Assignment of NMR spectral components based on crystallographic analysis of unique iron sites. ► Strong agreement between predicted spectra and published spectra taken in applied magnetic fields. ► Maghemite NMR spectral broadening due to various iron sites and supertransferred hyperfine field.

  11. Near-infrared Reflectance Spectra Of 135 Hertha, 224 Oceana, 516 Amherstia, And 872 Holda

    Science.gov (United States)

    Hardersen, Paul S.; Gaffey, M. J.; Abell, P. A.

    2006-09-01

    Near-infrared reflectance spectra of M-asteroids 135 Hertha, 224 Oceana, 516 Amherstia, and 872 Holda display spectral and mineralogical diversity that is becoming the norm for the M-asteroid taxonomic group. 224 Oceana exhibits a traditionally featureless M-asteroid spectrum, moderately reddish slope, and an IRAS albedo of 17%. Canonical interpretations include a NiFe metal-rich surface or a surface similar to that of the enstatite chondrites. 516 Amherstia, with an IRAS albedo of 16%, displays absorption features centered at 0.93- and 1.92-microns superimposed on an overall reddish slope. This suggests a surface with a single mafic silicate (i.e., pyroxene, Wo10±4Fs31±5) and NiFe metal. The Band I and II absorptions are 5% and 2% deep, respectively. Amherstia's features are similar to, but somewhat more intense and Fe-rich than, other M-asteroid spectra as discussed in Hardersen et al. (2005). 872 Holda displays a generally featureless NIR reflectance spectrum with the exception of a very broad and weak ( 2% depth) absorption that ranges from 0.5 to 1.2-microns. 872 Holda's overall spectrum is similar to that of synthetic troilite, but differs from spectra of meteoritic troilite as discussed in Cloutis and Burbine (1999). If troilite is present on Holda's surface, then a potential interpretation is a mixture of NiFe metal and troilite as seen in iron meteorites. The NIR reflectance spectrum for 135 Hertha will also be discussed and compared to this asteroid's 52-color survey spectrum, which indicates the presence of a weak 0.9-micron absorption feature. Of the 20 M-asteroid spectra that have been examined by this team thus far, 10 M-asteroids display the presence of low-Fe pyroxene absorption features at 0.9 microns, 3 suggest the presence of spinel, 2 indicate the presence of olivine, one suggests the possible presence of troilite, and 4 display featureless spectra that suggest a variety of potential interpretations.

  12. PREFACE: Vibrations at surfaces Vibrations at surfaces

    Science.gov (United States)

    Rahman, Talat S.

    2011-12-01

    , Christophe Méthivier, Paul Dumas and Claire-Marie Pradier Relating temperature dependence of atom scattering spectra to surface corrugationW W Hayes and J R Manson Effects of the commensurability and disorder on friction for the system Xe/CuA Franchini, V Bortolani, G Santoro and K Xheka Switching ability of nitro-spiropyran on Au(111): electronic structure changes as a sensitive probe during a ring-opening reactionChristopher Bronner, Gunnar Schulze, Katharina J Franke, José Ignacio Pascual and Petra Tegeder High-resolution phonon study of the Ag(100) surfaceK L Kostov, S Polzin and W Widdra On the interpretation of IETS spectra of a small organic molecule Karina Morgenstern

  13. Visible light photodiodes and photovoltages from detonation nanodiamonds

    Czech Academy of Sciences Publication Activity Database

    Rezek, Bohuslav; Stehlík, Štěpán; Kromka, Alexander; Arnault, J.-C.; Weis, M.; Jakabovič, J.

    2016-01-01

    Roč. 1, č. 14 (2016), s. 971-975 ISSN 2059-8521 R&D Projects: GA ČR GA15-01809S Institutional support: RVO:68378271 Keywords : nanodiamond * photodiode Subject RIV: BM - Solid Matter Physics ; Magnetism

  14. Component spectra extraction from terahertz measurements of unknown mixtures.

    Science.gov (United States)

    Li, Xian; Hou, D B; Huang, P J; Cai, J H; Zhang, G X

    2015-10-20

    The aim of this work is to extract component spectra from unknown mixtures in the terahertz region. To that end, a method, hard modeling factor analysis (HMFA), was applied to resolve terahertz spectral matrices collected from the unknown mixtures. This method does not require any expertise of the user and allows the consideration of nonlinear effects such as peak variations or peak shifts. It describes the spectra using a peak-based nonlinear mathematic model and builds the component spectra automatically by recombination of the resolved peaks through correlation analysis. Meanwhile, modifications on the method were made to take the features of terahertz spectra into account and to deal with the artificial baseline problem that troubles the extraction process of some terahertz spectra. In order to validate the proposed method, simulated wideband terahertz spectra of binary and ternary systems and experimental terahertz absorption spectra of amino acids mixtures were tested. In each test, not only the number of pure components could be correctly predicted but also the identified pure spectra had a good similarity with the true spectra. Moreover, the proposed method associated the molecular motions with the component extraction, making the identification process more physically meaningful and interpretable compared to other methods. The results indicate that the HMFA method with the modifications can be a practical tool for identifying component terahertz spectra in completely unknown mixtures. This work reports the solution to this kind of problem in the terahertz region for the first time, to the best of the authors' knowledge, and represents a significant advance toward exploring physical or chemical mechanisms of unknown complex systems by terahertz spectroscopy.

  15. VIRTIS on Venus Express thermal emission spectra near 1μm

    Science.gov (United States)

    Mueller, Nils; Tsang, Constantine; Helbert, Joern; Smrekar, Suzanne; Piccioni, Giuseppe; Drossart, Pierre

    2016-10-01

    Thermal emission from the surface of Venus is observable through narrow spectral windows close to 1μm. Surface temperature is strongly constrained by surface elevation, due to the thick and dense atmosphere. The data from Visible and InfraRed Thermal Imaging Spectrometer VIRTIS on Venus Express together with altimetry constrain surface emissivity. In VIRTIS observations at 1.02μm, strongly deformed highland plateaus (tesserae) appear to have a lower emissivity consistent with continental crust, an interpretation that implies existence of an early ocean. Comparison between the Magellan stereo digital elevation model (DEM) and altimetry shows that the altimetry height error in rough tesserae greatly exceeds the formal error. In the one tesserae outlier covered by altimetry, DEM, and VIRTIS, the height error could account for the observed emissivity variation. The radiances observed at 1.10 and 1.18μm have a different response to topography, mostly due to spectrally varying absorption in the overlying atmospheric column. Thus if the tesserae have the same emissivity as volcanic plains, its spectrum should be the same as that of plains of the correct surface elevation. In order to investigate this statistically, we create a database of all long exposure duration VIRTIS spectra in the range of 1 - 1.4μm. The spectra are corrected for the ubiquitous straylight from the dayside, based on analysis of spectra showing deep space. Because the 1.10 and 1.18μm peaks are narrow compared to the variation of instrument spectral registration, we fit each spectrum with a synthetic spectrum from an atmospheric radiative transfer model, using wavelength offset and bandwidths as parameters in addition to atmospheric variables. This dataset of ~28 million thermal emission spectra spans a wide range of southern latitudes and night local times, and thus may be useful for studies beyond the question of surface emissivity. A portion of this research was conducted at the Jet Propulsion

  16. Retrieval of Composition and Shadowing Properties of Saturn's Rings from Cassini UVIS Spectra

    Science.gov (United States)

    Bradley, E. T.; Colwell, J. E.; Esposito, L. W.

    2017-12-01

    The rings of Saturn consist of centimeter-to-meter sized particles that are covered by a layer of regolith whose grains consist of water ice and some small amount of contaminant that is delivered to the rings through micrometeorite impacts. The mixing of the water ice and meteoritic material is affected by inter-particle collisions and from the meteoritic impacts. Two types of mixtures considered in this investigation are 1) discrete grains of water ice and contaminant and 2) grains of water ice with inclusions of contaminant embedded within the grain. The rough regolith-covered surfaces may result in shadowing between grains that darkens the observed rings reflectance spectra. We compared reflectance spectra of the rings at far ultraviolet wavelengths taken by the Cassini UVIS to models of the rings that include a shadowing function with both types of mixtures and with different contaminant materials. One contaminant that we used was the dark material of Comet 67P, where we retrieved the single scattering albedo at UVIS wavelengths from reflectance spectra measured by the ALICE spectrograph on the Rosetta spacecraft. We compared the reflectance over a range of phase angles with a Hapke model that included macroscopic roughness in order to account for shadowing in the Comet 67P material. We retrieved the ring particle albedo at discrete radial regions in the rings using reflectance spectra over a wide range of phase angles. We corrected the retrieved ring particle albedo for roughness using the shadowing function and then compared the "smooth" ring particle albedo to compositional models. We found that a two-component discrete grain model consisting of greater than ninety percent water ice and contaminant from either Triton tholin or material spectrally similar to Comet 67P were indistinguishable when compared to the UVIS spectra. This suggests a common darkening material and/or processing between the rings and Comet 67P.

  17. Distortions in frequency spectra of signals associated with sampling-pulse shapes

    International Nuclear Information System (INIS)

    Njau, E.C.

    1983-04-01

    A method developed earlier by the author [IC/82/44; IC/82/45] is used to investigate distortions introduced into frequency spectra of signals by the shapes of the sampling pulses involved. Conditions are established under which the use of trapezoid or exponentially-edged pulses to digitize signals can make the frequency spectra of the resultant data samples devoid of the main features of the signals. This observation does not, however, apply in any way to cosinusoidally-edged pulses or to pulses with cosine-squared edges. Since parts of the Earth's surface and atmosphere receive direct solar energy in discrete samples (i.e. only from sunrise to sunset) we have extended the technique and attempted to develop a theory that explains the observed solar terrestrial relationships. A very good agreement is obtained between the theory and previous long-term and short-term observations. (author)

  18. Modeling and Analysis of CTIO 1.5m White Dwarf Spectra

    Science.gov (United States)

    Gulledge, Deborah Jean; Tucker, Douglas; Smith, John Allyn; Wester, William; Robertson, Jacob; Mueller, Jack H.; Fix, Mees; Narayan, Gautham; Tremblay, P.-E.

    2018-01-01

    We present results to date on spectroscopic reductions of white dwarf stars from the CTIO 1.5m telescope in support of calibrations for the Dark Energy Survey, which is based in the Southern hemisphere to map galaxies and gather information on dark energy.Science requirements for the survey require a 0.5\\% uncertainty in color, driven by supernova science. The Dark Energy Survey relies on a calibration technique that uses white dwarf stars to set zero points. These white dwarf spectra are fit to model spectra at the same temperatures and surface gravities. Fits are done both by a WD modeling expert, Pier Emmanuel Tremblay, and by WD model fitting software created by Gautham Narayan. Fits from both are comparable and give similar results, which are then used to generate synthetic photometry. These synthetic photometry values are compared to the measured values from the survey to verify that the zero points are correct.

  19. Comparison between simplified load spectra in accordance with Germanische Lloyd guidelines, and load spectra derived from time domain simulations

    Energy Technology Data Exchange (ETDEWEB)

    Rees, M. [Aerodyn Energiesysteme gmbH, Rendsburg (Germany)

    1996-09-01

    The Germanische Lloyd guideline allows calculations of load spectra in two fundamentally different ways. In the case of the so-called `simplified load spectra` the maximum amplitude of fluctuation of a load component is formed as {+-}75% of the average value of the purely aerodynamic loads of this component at rated wind conditions, together with an overlay of mass-related loads. The second method allowed in the GL guideline is the calculation of load spectra from simulation results in the time domain. For a number of average wind speeds the time-dependent characteristics of the load components are calculated taking account of the natural spatial turbulence of the wind. These are converted into load spectra using the rainflow method. In a parametric study the load spectra are calculated according to both methods and compared. The calculations are performed for turbines with rated powers of 100 kW to 2000 kW, with two and three blades, and also for stall-controlled and pitch-controlled turbines. The calculated load spectra are compared with each by means of 1 P fatigue equivalent load spectra. The influence of individual parameters is presented, as is the validity of the simplified load spectra. (au)

  20. Blackbody spectra for sonoluminescing hydrogen bubbles.

    Science.gov (United States)

    Vazquez, George; Camara, C; Putterman, S J; Weninger, K

    2002-05-13

    The dynamical motion of sonoluminescing bubbles formed from a mixture of water and hydrogen gas indicates that these bubbles contain hydrogen. Their spectrum is well matched by an ideal 6000 K blackbody radiating from a surface with a radius less than 1/4 microm. According to this model, the state of matter inside the collapsed bubble is so stressed that the photon mean free path is much smaller than 1 microm. Implications for various theories of the light-emitting mechanism and the role of chemical reactions are discussed.

  1. An original data treatment for infrared spectra of organic matter, application to extracted soil organic matter

    Science.gov (United States)

    Gomes Rossin, Bruna; Redon, Roland; Raynaud, Michel; Nascimento, Nadia Regina; Mounier, Stéphane

    2017-04-01

    Infrared spectra of extracted organic matter are easy and rapid to do, but generally hard to interpreted over the presence or not of certain organic functions. Indeed, the organic matter is a complex mixture of molecules often having absorption overlapping and it is also difficult to have a well calibrated or normalised spectra due to the difficulty to have a well known solid content or homogeneity for a sample (Monakhova et al. 2015, Tadini et al. 2015, Bardy et al. 2008). In this work, the IRTF (InfraRed Fourier Transform) spectra were treated by an original algorithm developed to obtain the principal components of the IRTF spectra and their contributions for each sample. This bilinear decomposition used a PCA initialisation and the principal components were estimated from vectors calculated by PCA and linearly combined to provide non-negative signals minimizing a criterion based on cross-correlation. Hence, using this decomposition, it is possible to define IRTF signal of organic matter fractions like humic acid or fulvic acid depending on their origin like surface of depth of soil profiles. The method was used on a set of sample from Upper Negro River Basin (Amazon, Brazil) (Bueno,2009), where three soils sequences from surface to two meter depth containing 10 slices each. The sequences were sampled on a podzol well drain, a hydromorphic podzol and a cryptopodzol. From the IRTF data five representative component spectra were defined for all the extracted organic matter , and using other chemical composition information, a mechanism of organic matter fate is proposed to explain the observed results. Bardy, M., E. Fritsch, S. Derenne, T. Allard, N. R. do Nascimento, and G. T. Bueno. 2008. "Micromorphology and Spectroscopic Characteristics of Organic Matter in Waterlogged Podzols of the Upper Amazon Basin." Geoderma 145 (3-4): 222-30. Bueno, G.T. Appauvrissement et podzolisation des latérites du baissin du Rio Negro et gênese dês Podzols dans le haut bassin

  2. Analysis of Emission Spectra from Arc-jet Shock Layer Flows

    Science.gov (United States)

    Gokcen, T.; Park, C. S.; Newfield, M. E.; Fletcher, D. G.; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    This paper reports computational comparisons with experimental studies of a nonequilibrium blunt body shock layer in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. The primary objective of this work is to investigate the existence of a thermochemical equilibrium region in the shock layer. The existence of such an equilibrium region is of interest for following reasons: (1) to understand the equilibration process behind the shock in an arc-jet flow environment; (2) to interpret measured surface heat transfer data for purpose of determining surface catalytic efficiency, and (3) to determine the total enthalpy from the spectroscopic measurements. The paper will present an analysis of the experimental data obtained in the arc-jet wind tunnel. Experimental data includes measurements of emission spectra of radiation emanating from a shock layer formed in front of a 6-inch flat-faced cylinder. The measurements, obtained using a two dimensional CCD camera mounted on a spectrograph, provide spatially resolved spectra along the stagnation streamline of the model. Computational analysis includes simulation of nonequilibrium flow in the arc-jet facility (flow in the conical nozzle and shock layer in front of a flat-faced cylinder) using 2-D/axisymmetric Navier-Stokes codes and prediction of the radiation spectra from the axisymmetric flowfield using NEQAIR radiation code. Various line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer are deduced from the experimental spectra. Comparison of the computed and experimental line-of-sight averaged flow properties provides assessment of thermochemical equilibration processes in an arc-jet shock layer.

  3. Electron spectroscopy of nanodiamond surface states

    Energy Technology Data Exchange (ETDEWEB)

    Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P

    2003-06-15

    Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.

  4. Automated detection of satellite contamination in incoherent scatter radar spectra

    Directory of Open Access Journals (Sweden)

    J. Porteous

    Full Text Available Anomalous ion line spectra have been identified in many experiments. Such spectra are defined as deviations from the standard symmetric "double-humped" spectra derived from incoherent scatter radar echoes from the upper atmosphere. Some anomalous spectra – where there are sharp enhancements of power over restricted height ranges – have been attributed to satellite contamination in the beam path. Here we outline a method for detecting such contamination, and review in detail a few cases where the method enables the identification of anomalous spectra as satellite echoes, subsequently ascribed to specific orbital objects. The methods used here to identify such satellites provide a useful way of distinguishing anomalous spectra due to satellites from those of geophysical origin. Analysis of EISCAT Svalbard Radar data reveals that an average of 8 satellites per hour are found to cross the beam. Based on a relatively small sample of the data set, it appears that at least half of the occurrences of anomalous spectra are caused by satellite contamination rather than being of geophysical origin.

    Key words. Ionosphere (auroral ionosphere, instruments and techniques – Radio Science (signal processing

  5. Proposal and Evaluation of Subordinate Standard Solar Irradiance Spectra: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Habte, Aron M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wilbert, Stefan [German Aerospace Center (DLR); Jessen, Wilko [German Aerospace Center (DLR); Gueymard, Chris [Solar Consulting Services; Polo, Jesus [CIEMAT; Bian, Zeqiang [China Meteorological Administration; Driesse, Anton [Photovoltaic Performance Labs; Marzo, Aitor [University of Antofagasta; Armstrong, Peter [Masdar Institute of Science & Technology; Vignola, Frank [University of Oregon; Ramirez, Lourdes [CIEMAT

    2018-04-12

    This paper introduces a concept for global tilted irradiance (GTI) subordinate standard spectra to supplement the current standard spectra used in solar photovoltaic applications as defined in ASTM G173 and IEC60904. The proposed subordinate standard spectra correspond to atmospheric conditions and tilt angles that depart significantly from the main standard spectrum, and they can be used to more accurately represent various local conditions. For the definition of subordinate standard spectra cases with an elevation 1.5 km above sea level, the question arises whether the air mass should be calculated including a pressure correction or not. This study focuses on the impact of air mass used in standard spectra, and it uses data from 29 locations to examine which air mass is most appropriate for GTI and direct normal irradiance (DNI) spectra. Overall, it is found that the pressure-corrected air mass of 1.5 is most appropriate for DNI spectra. For GTI, a non-pressure-corrected air mass of 1.5 was found to be more appropriate.

  6. Automated detection of satellite contamination in incoherent scatter radar spectra

    Directory of Open Access Journals (Sweden)

    J. Porteous

    2003-05-01

    Full Text Available Anomalous ion line spectra have been identified in many experiments. Such spectra are defined as deviations from the standard symmetric "double-humped" spectra derived from incoherent scatter radar echoes from the upper atmosphere. Some anomalous spectra – where there are sharp enhancements of power over restricted height ranges – have been attributed to satellite contamination in the beam path. Here we outline a method for detecting such contamination, and review in detail a few cases where the method enables the identification of anomalous spectra as satellite echoes, subsequently ascribed to specific orbital objects. The methods used here to identify such satellites provide a useful way of distinguishing anomalous spectra due to satellites from those of geophysical origin. Analysis of EISCAT Svalbard Radar data reveals that an average of 8 satellites per hour are found to cross the beam. Based on a relatively small sample of the data set, it appears that at least half of the occurrences of anomalous spectra are caused by satellite contamination rather than being of geophysical origin.Key words. Ionosphere (auroral ionosphere, instruments and techniques – Radio Science (signal processing

  7. Surface NH2-rich nanoparticles: Solidifying ionic-liquid electrolytes and improving the performance of dye-sensitized solar cells

    Science.gov (United States)

    Fang, Yanyan; Ma, Pin; Fu, Nianqing; Zhou, Xiaowen; Fang, Shibi; Lin, Yuan

    2017-12-01

    The surface properties of nanoparticles have a significant influence on the properties of the gel electrolytes. Herein, the surface NH2-rich nanoparticle (A-SiO2), with a tightening network, is synthesized by silanizing SiO2 nanoparticles with pre-polymerized aminopropyltriethoxysilane, which is further employed to prepare ionic-liquid gel electrolytes for dye-sensitized solar cells. The addition of a small amount of A-SiO2 can effectively solidify the ionic-liquid, whereas a large number of NH2 groups on the SiO2 surface leads to a large negative shift of the TiO2 conduction band edge, and can react with I3- in the form of a Lewis complex, resulting in an increase in the concentration of I- and a decrease in the concentration of I3- in the electrolyte. In addition, the ionic-liquid gel electrolyte possesses thixotropic behavior, which allows it to easily penetrate into the inner part of the TiO2 mesoporous film. As a result, large improvements of the photovoltage from 695 mV to 785 mV and of the photocurrent from 13.3 mA cm-2 to 14.9 mA cm-2 are achieved. This leads to significant enhancement of the power conversion efficiency, from 6.2% to 8.1%, for the cell with A-SiO2 compared to that of the pristine ionic-liquid electrolyte.

  8. Electron energy-loss spectra in molecular fluorine

    Science.gov (United States)

    Nishimura, H.; Cartwright, D. C.; Trajmar, S.

    1979-01-01

    Electron energy-loss spectra in molecular fluorine, for energy losses from 0 to 17.0 eV, have been taken at incident electron energies of 30, 50, and 90 eV and scattering angles from 5 to 140 deg. Features in the spectra above 11.5 eV energy loss agree well with the assignments recently made from optical spectroscopy. Excitations of many of the eleven repulsive valence excited electronic states are observed and their location correlates reasonably well with recent theoretical results. Several of these excitations have been observed for the first time and four features, for which there are no identifications, appear in the spectra.

  9. Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules

    Directory of Open Access Journals (Sweden)

    S. A. Cooke

    2013-01-01

    Full Text Available Rotational spectroscopy can provide insights of unparalleled precision with respect to the wavefunctions of molecular systems that have relevance in fields as diverse as astronomy and biology. In this paper, we demonstrate how asymmetric molecular pure rotational spectra may be analyzed “pictorially” and with simple formulae. It is shown that the interpretation of such spectra relies heavily upon pattern recognition. The presentation of some common spectral line positions in near-prolate asymmetric rotational spectra provides a means by which spectral assignment, and approximate rotational constant determination, may be usefully explored. To aid in this endeavor we have created a supporting, free, web page and mobile web page.

  10. Computer Processing Of Tunable-Diode-Laser Spectra

    Science.gov (United States)

    May, Randy D.

    1991-01-01

    Tunable-diode-laser spectrometer measuring transmission spectrum of gas operates under control of computer, which also processes measurement data. Measurements in three channels processed into spectra. Computer controls current supplied to tunable diode laser, stepping it through small increments of wavelength while processing spectral measurements at each step. Program includes library of routines for general manipulation and plotting of spectra, least-squares fitting of direct-transmission and harmonic-absorption spectra, and deconvolution for determination of laser linewidth and for removal of instrumental broadening of spectral lines.

  11. Photoelectron spectra and structures of three cyclic dipeptides

    DEFF Research Database (Denmark)

    Wickrama Arachchilage, A.P.; Wang, F.; Feyer, V.

    2012-01-01

    spectra of all three cyclic dipeptides agree reasonably well with the experimental spectra. The central ring and the side chains act as independent chromophores whose spectra do not influence one another, except for prolyl dipeptides, where the pyrrole ring is fused with the central ring. In this case......We have investigated the electronic structure of three cyclic dipeptides: cyclo(Histidyl-Glycyl) (cHisGly), cyclo(Tyrosyl-Prolyl) (cTyrPro), and cyclo(Phenylalanyl-Phenylalanyl) (cPhePhe) in the vapor phase, by means of photoemission spectroscopy and theoretical modeling. The last compound...

  12. Investigation of IR absorption spectra of oral cavity bacteria

    Science.gov (United States)

    Belikov, Andrei V.; Altshuler, Gregory B.; Moroz, Boris T.; Pavlovskaya, Irina V.

    1996-12-01

    The results of comparative investigation for IR and visual absorption spectra of oral cavity bacteria are represented by this paper. There are also shown the main differences in absorption spectra of such pure bacteria cultures as : E- coli, Candida, Staph, Epidermidis, and absorption spectra of bacteria colonies cultured in tooth root canals suspected to harbour several endodontical problems. The results of experimental research targeted to investigate an effect of such combined YAG:Nd and YAG:Cr; Tm; Ho laser parameters like: wavelength, energy density, average power and etc., to oral cavity bacteria deactivation are given finally.

  13. Funny hills in pion spectra from heavy-ion collisions

    International Nuclear Information System (INIS)

    Rasmussen, J.O.

    1982-03-01

    A discussion of some of the systematic features of the pion spectra in heavy-ions reactions is given. A discussion of the hills and valleys in heavy ion pion spectra that show up at the lower pion energies is given. The following topics are discussed: (1) three kinds of funny hills; (2) π - / + ratios near center of mass; (3) new Monte Carlo studies of charged pion spectra; and (4) pion orbiting about fireballs and Bose-Einstein behavior as explanation for the mid-rapidity P/sub perpendicular to/ approx. = 0.4 to 0.5 m/sub π/c hill

  14. Automated Endmember Selection for Nonlinear Unmixing of Lunar Spectra

    Science.gov (United States)

    Felder, M. P.; Grumpe, A.; Wöhler, C.; Mall, U.

    2013-09-01

    An important aspect of the analysis of remotely sensed lunar reflectance spectra is their decomposition into intimately mixed constituents. While some methods rely on unmixing of the observed reflectance spectra [1] or on the identification of minerals by extracting the depths and positions of mineral-specific absorption troughs [2, 3], these approaches do not allow for an automated selection of the (a priori unknown) endmembers from a large set of possible constituents. In this study, a non-linear spectral unmixing approach combined with an automated endmember selection scheme is proposed. This method is applied to reflectance spectra of the SIR-2 point spectrometer [4] carried by the Chandrayaan-1 spacecraft.

  15. Statistical studies of vertical and horizontal earthquake spectra

    Energy Technology Data Exchange (ETDEWEB)

    Hall, W.J.; Mohraz, B.; Newmark, N.M.

    1976-01-01

    The study reveals that there is no well-defined dependence of normalized seismic design response spectra on the earthquake ground acceleration level. Recommendations for horizontal design response spectra are close to those given in Regulatory Guide 1.60. Recommendations for vertical response spectra are somewhat lower than Regulatory Guide 1.60 provisions in the frequency range 2 to 30 Hz aproximately. The results are based on seismic information recorded along the west coast of the United States and are directly applicable to that region only.

  16. HST-STIS Spectra of Saturn's Rings and Implications for Their Reddening Agent

    Science.gov (United States)

    Cuzzi, Jeff

    2016-01-01

    We obtained HST-STIS spectra of Saturn's main rings in May 2011, using the G230L (and G430L) gratings, with final averaged radial resolution of 160 (and 330) km/pixel. The dataset filled a previous 200-330nm "spectral gap" between Cassini and ground-based spectra. The data provide radial profiles as a function of wavelength, but our most basic product at this point is a set of very low-noise spectra, radially averaged over broad regions of the rings (A, B, C, and Cassini Division). The raw spectra required special processing to remove artifacts due to extended-source grating scatter. We have modeled the spectra using a new particle surface model, which corrects for on-surface shadowing due to the likely very rough ring particle surfaces, and avoids overestimation of intra-mixed "neutral absorber". We correct for non-classical layer effects and finite ring optical depth, and relate our observed reflectivities to the spherical albedos of individual smooth particles. We model these smooth particle albedos using standard Hapke theory for regolith grain mixtures that are either homogeneous and "intramixed" (nonicy absorbers dispersed in water ice regolith grains) or heterogeneous "intimate" mixtures. As candidates for the nonicy contaminants we have considered amorphous carbon, aromatic-rich and aliphatic-rich organic tholins, silicates, hematite and iron metal. For the A and B rings, we find that iron metal (including a new theoretical estimate of the refractive indices of nanometer-sized grains of iron) is not spectrally steep enough in the 200-300nm range, and that aliphatic-rich tholins are either too steep at short wavelengths or too flat at long wavelengths. However, less than 1% by mass of aromatic-rich tholins provides a very good fit across the entire spectral range with no gratuitous "neutral absorber" needed, and a minimum of additional free parameters. The best fits require forward-scattering regolith grains. For the C Ring and Cassini Division, additional

  17. Atomistic modeling of IR action spectra under circularly polarized electromagnetic fields: toward action VCD spectra.

    Science.gov (United States)

    Calvo, Florent

    2015-03-01

    The nonlinear response and dissociation propensity of an isolated chiral molecule, camphor, to a circularly polarized infrared laser pulse was simulated by molecular dynamics as a function of the excitation wavelength. The results indicate similarities with linear absorption spectra, but also differences that are ascribable to dynamical anharmonic effects. Comparing the responses between left- and right-circularly polarized pulses in terms of dissociation probabilities, or equivalently between R- and S-camphor to a similarly polarized pulse, we find significant differences for the fingerprint C = O amide mode, with a sensitivity that could be sufficient to possibly enable vibrational circular dichroism as an action technique for probing molecular chirality and absolute conformations in the gas phase. © 2015 Wiley Periodicals, Inc.

  18. Improved quantitative analysis of spectra using a new method of obtaining derivative spectra based on a singular perturbation technique.

    Science.gov (United States)

    Li, Zhigang; Wang, Qiaoyun; Lv, Jiangtao; Ma, Zhenhe; Yang, Linjuan

    2015-06-01

    Spectroscopy is often applied when a rapid quantitative analysis is required, but one challenge is the translation of raw spectra into a final analysis. Derivative spectra are often used as a preliminary preprocessing step to resolve overlapping signals, enhance signal properties, and suppress unwanted spectral features that arise due to non-ideal instrument and sample properties. In this study, to improve quantitative analysis of near-infrared spectra, derivatives of noisy raw spectral data need to be estimated with high accuracy. A new spectral estimator based on singular perturbation technique, called the singular perturbation spectra estimator (SPSE), is presented, and the stability analysis of the estimator is given. Theoretical analysis and simulation experimental results confirm that the derivatives can be estimated with high accuracy using this estimator. Furthermore, the effectiveness of the estimator for processing noisy infrared spectra is evaluated using the analysis of beer spectra. The derivative spectra of the beer and the marzipan are used to build the calibration model using partial least squares (PLS) modeling. The results show that the PLS based on the new estimator can achieve better performance compared with the Savitzky-Golay algorithm and can serve as an alternative choice for quantitative analytical applications.

  19. Coupling molecular catalysts with nanostructured surfaces for efficient solar fuel production

    Science.gov (United States)

    Jin, Tong

    photosensitizers. In Chapter 3, effective coupling of the macrocyclic Co(III) complex with titanium dioxide (TiO¬2) nanoparticles was achieved by two deposition methods. The synthesized hybrid photocatalysts were thoroughly characterized with a variety of techniques. Upon UV light irradiation, photoexcited electrons in TiO2 nanoparticles were transferred to the surface Co(III) catalyst for CO2 reduction. Production of carbon monoxide (CO) from CO2 was confirmed by isotope labeling combined with infrared spectroscopy. Deposition of the Co(III) catalyst through Ti-O-Co linkages was essential for the photo-induced electron transfer and CO2-reduction activity using the hybrid photocatalysts. In Chapter 4, molecular Re(I) and Co(II) catalysts were coupled with silicon-based photoelectrodes, including a silicon nanowire (SiNW) photoelectrode, to achieve photoelectrochemical CO2 reduction. Photovoltages between 300-600 mV were obtained using the molecular catalysts on the silicon photoelectrodes. SiNWs exhibited enhanced properties, including significantly higher photovoltages than a planar silicon photoelectrode, the ability to protect one of the molecular catalysts from photo-induced decomposition, and excellent selectivity towards CO production in CO2 reduction. Recent theoretical and experimental work have demonstrated low-energy, binuclear pathways for CO2-to-CO conversion using several molecular catalysts. In such binuclear pathways, two metal centers work cooperatively to achieve two-electron CO2 reduction. Chapter 5 describes our effort to promote the binuclear pathway by grafting the molecular Co(III) catalyst onto silica surfaces. Different linking strategies were attempted to achieve this goal by planting the surface Co(III) sites in close proximity.

  20. Spectroscopy of Icy Moon Surface Materials

    Science.gov (United States)

    Dalton, J. B.

    2010-06-01

    Remote sensing of icy objects in the outer solar system relies upon availability of appropriate laboratory measurements. Surface deposits of specific substances often provide our most direct route to understanding interior composition, thereby informing theories of endogenic surface modification, exogenic surface processing and processes involving exchange of material with the interiors. Visible to near-infrared reflectance spectra of properly prepared compounds are required to enable retrieval of surface abundances through linear and nonlinear mixture analysis applied to spacecraft observations of icy bodies. This chapter describes the techniques, conditions and approaches necessary to provide reference spectra of use to theoretical models of icy satellite surface compositions, and summarizes the current state of knowledge represented in the published literature.