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Sample records for solutions pmr spectra

  1. Shelf Life of PMR Polyimide Monomer Solutions and Prepregs Extended

    Science.gov (United States)

    Alston, William B.; Scheiman, Daniel A.

    2000-01-01

    PMR (Polymerization of Monomeric Reactants) technology was developed in the mid-1970's at the NASA Glenn Research Center at Lewis Field for fabricating high-temperature stable polyimide composites. This technology allowed a solution of polyimide monomers or prepreg (a fiber, such as glass or graphite, impregnated with PMR polyimide monomers) to be thermally cured without the release of volatiles that cause the formation of voids unlike the non-PMR technology used for polyimide condensation type resins. The initial PMR resin introduced as PMR 15 is still commercially available and is used worldwide by aerospace industries as the state-of-the-art resin for high-temperature polyimide composite applications. PMR 15 offers easy composite processing, excellent composite mechanical property retention, a long lifetime at use temperatures of 500 to 550 F, and relatively low cost. Later, second-generation PMR resin versions, such as PMR II 50 and VCAP 75, offer improvements in the upper-use temperature (to 700 F) and in the useful life at temperature without major compromises in processing and property retention but with significant increases in resin cost. Newer versions of nontoxic (non-methylene dianiline) PMR resins, such as BAX PMR 15, offer similar advantages as originally found for PMR 15 but also with significant increases in resin cost. Thus, the current scope of the entire PMR technology available meets a wide range of aeronautical requirements for polymer composite applications.

  2. PMR spectra and proton magnetic relaxation in uranyl nitrate-hexamethylenetetramine-urea-water gel forming system

    International Nuclear Information System (INIS)

    Vashman, A.A.; Pronin, I.S.; Brylkina, T.V.; Makarov, V.M.

    1979-01-01

    PMR spectra and proton relaxation in the nitrate-hexamethylenetetramine (HMTA)-urea-water gelling system are studied. According to PMR spectra products of HMTA chemical decomposition, which are supposed to be formed in the gelling process, have not been detected. Effect of hydrogen exchange upon PMR spectra of urea and water in the presence of HMTA and uranyl nitrate is studied. Periods of spin-lattice and spin-spin relaxations of water and HMTA protons in gels on the base of uranyl nitrate are found. Data on relaxation permitted to make qualitative conclusions upon the gel structure and HMTA molecule distribution over ''phases''. Nonproducibility of the results of period measurements in gels is the result of nonproducibility of the gel structure in the course of transformation of liquid solution into gel. Temperature dependences of proton relaxation in the gels are impossible yet to interpret on the basis of temperature behaviour of one correlation period, controlling dipole-dipole nuclear magnetic relaxation, and obeying Arrhenius dependence on the temperature

  3. Second generation PMR polyimide/fiber composites

    Science.gov (United States)

    Cavano, P. J.

    1979-01-01

    A second generation polymerization monomeric reactants (PMR) polyimdes matrix system (PMR 2) was characterized in both neat resin and composite form with two different graphite fiber reinforcements. Three different formulated molecular weight levels of laboratory prepared PMR 2 were examined, in addition to a purchased experimental fully formulated PMR 2 precurser solution. Isothermal aging of graphite fibers, neat resin samples and composite specimens in air at 316 C were investigated. Humidity exposures at 65 C and 97 percent relative humidity were conducted for both neat resin and composites for eight day periods. Anaerobic char of neat resin and fire testing of composites were conducted with PMR 15, PMR 2, and an epoxy system. Composites were fire tested on a burner rig developed for this program. Results indicate that neat PMR 2 resins exhibit excellent isothermal resistance and that PMR 2 composite properties appear to be influenced by the thermo-oxidative stability of the reinforcing fiber.

  4. 31P-MR spectroscopy of the brain in patients with anorexia nervosa: characteristic differences in the spectra between patients and healthy control subjects

    International Nuclear Information System (INIS)

    Rzanny, R.; Reichenbach, J.R.; Mentzel, H.J.; Pfleiderer, S.O.R.; Kaiser, W.A.; Freesmeyer, D.; Klemm, S.; Gerhard, U.J.; Blanz, B.

    2003-01-01

    Purpose: To investigate whether 31 P-MR spectroscopy can detect reduced concentrations of high-energy phosphates, like PCr and NTP, caused by decreased metabolic activity in the brain of patients with anorexia nervosa (AN) and, furthermore, whether any impairment of the cerebral membrane metabolism can be derived from the spectra. Material and Methods: 10 female patients, age range 12 - 20 years and mean BMI (body mass index) of 14.8 ± 1.6 kg/m 2 , with clinically diagnosed AN (ICD-10, F50.0) and 10 healthy control subjects, age range 12 - 21 years and mean BMI 19.0 ± 2.1 kg/m 2 , without nutritional disturbances: were investigated. 31 P-MR spectroscopy was performed with a 1.5 T MRI unit using single volume selection in the frontal/prefrontal region of brain. Relative metabolic concentrations were quantified by normalizing the peak areas of the metabolites with the total area of the complete phosphorous spectrum, P tot , as well as with the peak area of β;-NTP. Results: Significant differences between the two groups were observed for the metabolic ratios PDE/P tot , PDE/β;-NTP and α-NTP/P tot which were lower in the patient group except for α-NTP/P tot . These ratios also revealed a statistically significant correlation with the BMI (r PDE/Ptot = 0.747, r PDE/β;-NTP = 0.57, r α-NTP/Ptot = -0.56; p ≤ 0.1). Reduced relative concentrations of PCr/P tot , β;-NTP/P tot or Pi/P tot were not encountered. Conclusion: The lowered PDE/P tot ratio for patients with AN and its correlation with BMI suggests that decreased BMI induces compositional changes of the phospholipids in the brain, which decrease the fraction of mobile phospholipids. (orig.) [de

  5. Energy Efficiency Perspectives of PMR Networks

    Directory of Open Access Journals (Sweden)

    Marco Dolfi

    2016-12-01

    Full Text Available Recently, the concern about energy efficiency in wireless communications has been growing rapidly. Manufacturers and researchers have developed innovative solutions, highlighting the benefits in reducing operational expenditures (OPEX and carbon footprint. Professional Mobile Radio (PMR systems, like Terrestrial Trunked Radio (TETRA, have been designed to provide voice and data services to professional users. The energy consumption is one of the critical aspects of PMR broadband solutions and a major constraint for PMR services. The future convergence of PMR to the LTE system introduces a new topic in the research discussion about the energy efficiency of wireless systems. This paper focuses on the feasibility of energy efficient solutions for current and potentially future PMR networks, by providing a mathematical formulation of power consumption in TETRA base stations and assessing possible business models and energy saving solutions for enhanced mission-critical operations. The energy efficiency evaluation has been performed by taking into account the traffic load of a deployed TETRA regional network: in the considered network scenario with 150 base stations, significant OPEX savings up to 70 thousand Euros per year of operation are achieved. Moreover, the proposed solutions allow for saving more than 1 ton of CO 2 per year.

  6. A Comparison Study: The New Extended Shelf Life Isopropyl Ester PMR Technology versus The Traditional Methyl Ester PMR Approach

    Science.gov (United States)

    Alston, William B.; Scheiman, Daniel A.; Sivko, Gloria S.

    2005-01-01

    Polymerization of Monomeric Reactants (PMR) monomer solutions and carbon cloth prepregs of PMR II-50 and VCAP-75 were prepared using both the traditional limited shelf life methanol based PMR approach and a novel extended shelf life isopropanol based PMR approach. The methyl ester and isopropyl ester based PMR monomer solutions and PMR prepregs were aged for up to four years at freezer and room temperatures. The aging products formed were monitored using high pressure liquid chromatography (HPLC). The composite processing flow characteristics and volatile contents of the aged prepregs were also correlated versus room temperature storage time. Composite processing cycles were developed and six ply cloth laminates were fabricated with prepregs after various extended room temperature storage times. The composites were then evaluated for glass transition temperature (Tg), thermal decomposition temperature (Td), initial flexural strength (FS) and modulus (FM), long term (1000 hours at 316 C) thermal oxidative stability (TOS), and retention of FS and FM after 1000 hours aging at 316 C. The results for each ester system were comparable. Freezer storage was found to prevent the formation of aging products for both ester systems. Room temperature storage of the novel isopropyl ester system increased PMR monomer solution and PMR prepreg shelf life by at least an order of magnitude while maintaining composite properties.

  7. 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_2O)_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

  8. An experiment on multibubble sonoluminescence spectra in sodium chloride solution

    Institute of Scientific and Technical Information of China (English)

    CHEN Zhan; XU JunFeng; HUANG Wei; CHEN WeiZhong; MIAO GuoQing

    2008-01-01

    We investigated experimentally the spectra of MBSL in sodium chloride water solution with krypton as dissolved gas. We observed and compared the spectra of hydroxyl ion at 310 nm and that of sodium atom at 589 nm. It has been found that under the same experimental condition, the intensity of sodium atom spectra is obviously higher than that of the hydroxyl ion spectra, and is more sensitive to the experimental condition. The krypton content, the concentration of sodium chloride solution, and the driving sound pressure obviously affect the spectra intensity in certain range.

  9. PMR Polyimide prepreg with improved tack characteristics. [Polymerization of Monomer Reactants applications to fiber reinforced plastics

    Science.gov (United States)

    Serafini, T. T.; Delvigs, P.

    1978-01-01

    Current PMR Polyimide prepreg technology utilizes methanol or ethanol solvents for preparation of the PMR prepreg solutions. The volatility of these solvents limits the tack and drape retention characteristics of unprotected prepreg exposed to ambient conditions. Studies conducted to achieve PMR 15 Polyimide prepreg with improved tack and drape characteristics are described. Improved tack and drape retention were obtained by incorporation of an additional monomer. The effects of various levels of the added monomer on the thermo-oxidative stability and mechanical properties of graphite fiber reinforced PMR 15 composites exposed and tested at 316 C (600 F) are discussed.

  10. Quantitative analysis of PMR-15 polyimide resin by HPLC

    Science.gov (United States)

    Roberts, Gary D.; Lauver, Richard W.

    1987-01-01

    The concentration of individual components and of total solids of 50 wt pct PMR-15 resin solutions was determined using reverse-phase HPLC to within + or - 8 percent accuracy. Acid impurities, the major source of impurities in 3,3', 4,4'-benzophenonetetracarboxylic acid (BTDE), were eliminated by recrystallizing the BTDE prior to esterification. Triester formation was not a problem because of the high rate of esterification of the anhydride relative to that of the carboxylic acid. Aging of PMR-15 resin solutions resulted in gradual formation of the mononadimide and bisnadimide of 4,4'-methylenedianiline, with the BTDE concentration remaining constant. Similar chemical reactions occurred at a reduced rate in dried films of PMR-15 resin.

  11. PMR Extended Shelf Life Technology Given 2000 R and D 100 Award

    Science.gov (United States)

    Meador, Michael A.

    2001-01-01

    An approach developed at the NASA Glenn Research Center for extending the shelf life of PMR polyimide solutions and prepregs received an R&D 100 Award this year. PMR polyimides, in particular PMR-15, have become attractive materials for a variety of aerospace applications because of their outstanding high-temperature stability and performance. PMR-15 can be used in components with exposures to temperatures as high as 290 C, which leads to substantial reductions in weight, as much as 30 percent over metal components. PMR-15 composites are used widely in aerospace applications ranging from ducts and external components in aircraft engines to an engine access door for the Space Shuttle Main Engine. A major barrier to more widespread use of these materials is high component costs. Recent efforts at Glenn have addressed the various factors that contribute to these costs in an attempt to more fully utilize these lightweight, high-temperature materials.

  12. Conformational studies on pertrimethylsilyl derivatives of some mono- and disaccharides by 220 MHz PMR spectroscopy

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Streefkerk, D.G.; Bie, M.J.A. de

    1973-01-01

    The complete interpretation of 220 MHz PMR spectra and the accurate chemical shifts and coupling constants, obtained after computer simulation of the spectra, of a number of TMS-mono and -disaccharides are given. By means of an adapted Karplus equation the conformation of the derivatives has been

  13. Laser Raman spectra of mono-, oligo- and polysaccharides in solution

    Science.gov (United States)

    Barrett, T. W.

    We examined the Raman spectra of thirteen sugars—seven monosaccharides, two disaccharides, one trisaccharide and three polysaccharides—in the wavelength range 200—1700 cm -1 and (i) varied the phosphate buffered solution from pH 6.0 to 8.5 at constant ionic strength of 0.1 and (ii) varied HCl solutions from pH 0.8 to 5.0. As is to be expected with molecules containing COH groupings, all the molecular spectra are distinct. Of the thirteen sugars examined, only D-fructose 1,6-diphosphate (FDP) demonstrated spectral changes for the pH range 6.0—8.5 in phosphate buffer; but all exhibited band intensity enhancement in HCl at the lower pHs, but not band wavenumber changes. The results indicate that: (i) changes in the pH of the major intracellular buffer, phosphate, toward acidity, are able to hydrolyze the 1-phosphate group of FDP and the relative concentration of fructose 1-phosphate to fructose 6-phosphate is indicated by the intensity ratio of the 982 and 1080 cm -1 bands; (ii) it appears that all phosphate groups of FDP are hydrolyzed at pH 0.8 in HCl; and (iii) although conditions of extreme acidity are able to hydrolyze other sugars examined, there is no major degradation.

  14. Molybdenum(6) complexing with ethylenediaminedisuccinic acid from PMR spectroscopy data

    International Nuclear Information System (INIS)

    Larchenko, V.E.; Kovaleva, I.B.; Mitrofanova, N.D.; Martynenko, L.I.

    1989-01-01

    Methods of high resolution PMR spectroscopy and pH potentiometry are used to study molybdenum(6) complexing with ethylenediaminedisuccinic acid in aqueous solutions. It is shown that molybdenum(6) interacts with ethylenediaminedisuccinic acid in the narrow range of pH values 4.0-6.5, where MoO 3 H 2 L 2 - and MoO 3 HL 3- complexes with asymmetrical structure are formed. Composition and structure of molybdenum(6) ethylenediaminedisuccinates and ethylenediaminetetraacetates are compared

  15. Technological control of slip casting by the method of PMR

    International Nuclear Information System (INIS)

    Rozental', O.M.; Toropov, Yu.S.; Sobolev, A.S.; Pliner, S.Yu.; Demina, T.E.; Permikina, I.M.

    1980-01-01

    The method of proton magnetic resonance (PMR) is suggested for operational chemico-technological control of slip casting made of oxides of metals in the technology of technical ceramics. PMR spectra of finely dispersed slip casting made of aluminium and zirconium oxides (0.9 mol. of the ZrO 2 shake + 0.1 V 2 O 3 ) are analysed. It is shown that the quality of slip casting out of aqueous suspensions of aluminium and zirconium oxides is abruptly reduced if dP/dW (P - parameter of the PMR line shape, W - humidity) decrease. It is established that slip casting made of zirconium oxide should not be kept in the air more than 5 days, and that of aluminium oxide, more than 3 days at room temperature and should not be exposed to high (> 105 deg C) temperatures. The quality of slip casting is reduced in the regime of too energetic electrosedimentation the optimum regime of electrosedimentation is approximately 5/3 under the conditions of the above experiment

  16. 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)

  17. Conformational studies on pertrimethylsilyl derivatives of 2-acetamido-2-deoxyaldohexopyranoses by 220- and 300-MHz P.M.R. spectroscopy

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Streefkerk, D.G.; Bie, M.J.A. de

    1974-01-01

    The complete interpretation of high-resolution p.m.r. spectra and the accurate chemical shifts and coupling constants, obtained after computer simulation of the spectra, of the trimethylsilyl (TMS) derivatives of six 2-acetamido-2-deoxy-D-aldo-hexopyranoses are given. All pyranoid rings occur in the

  18. Vibrational spectra of solid solution series with ordered perovskite structure

    NARCIS (Netherlands)

    Blasse, G.

    I.R. and Raman spectra are reported for the following three systems: Ba2CaMo1−xTexO6, Ba2−xSrxMgWO6 and Ba2Ca1−xMgxWO6. In the first series the internal vibrations of the M6+O6 octahedra do not influence each other. The intensity of ν1 (MoO6) is five times that of ν1 (TeO6). In the second system

  19. Study of pertechnetate and perrhenate of calcium using infrared spectroscopy and PMR methods

    International Nuclear Information System (INIS)

    Teterin, Eh.G.; Zajtseva, L.L.; Samsonov, V.E.; Aksenenko, A.V.

    1986-01-01

    PMR and IR spectroscopic study of hydrates of calcium pertechnetate and perrhenates is carried out and their dehydration is studied. IR spectra analysis showed that dihydrates of calcium pertechnetate and perrhenate possess two types of crystal water molecules to which in spectra two sets of valence and deformation vibration bands and at least two types of pertechnetate and perrhenate groups correspond. During dehydration of calcium perrhenate dihydrate to monohydrate one type bond water molecules are withdrawn. The band set characteristic of the second type bond disappears only at complete dehydration of perrhenate, followed by spectrum simplification also in the region of perrhenate group absorption. Change of interproton distance in crystal water molecules under the action of crystal field, modifying during dehydration of calcium perrhenate dihydrate, is detected using PMR method

  20. Detection limits for nanoparticles in solution with classical turbidity spectra

    Science.gov (United States)

    Le Blevennec, G.

    2013-09-01

    Detection of nanoparticles in solution is required to manage safety and environmental problems. Spectral transmission turbidity method has now been known for a long time. It is derived from the Mie Theory and can be applied to any number of spheres, randomly distributed and separated by large distance compared to wavelength. Here, we describe a method for determination of size, distribution and concentration of nanoparticles in solution using UV-Vis transmission measurements. The method combines Mie and Beer Lambert computation integrated in a best fit approximation. In a first step, a validation of the approach is completed on silver nanoparticles solution. Verification of results is realized with Transmission Electronic Microscopy measurements for size distribution and an Inductively Coupled Plasma Mass Spectrometry for concentration. In view of the good agreement obtained, a second step of work focuses on how to manage the concentration to be the most accurate on the size distribution. Those efficient conditions are determined by simple computation. As we are dealing with nanoparticles, one of the key points is to know what the size limits reachable are with that kind of approach based on classical electromagnetism. In taking into account the transmission spectrometer accuracy limit we determine for several types of materials, metals, dielectrics, semiconductors the particle size limit detectable by such a turbidity method. These surprising results are situated at the quantum physics frontier.

  1. Raman Spectra and Intermolecular Hydrogen Bonds of Quinoline in Solutions

    International Nuclear Information System (INIS)

    Tukhvatullin, F.H.; Jumabayev, A.; Hushvaktov, H.; Absanov, A.; Hudoyberdiev, B.

    2012-01-01

    The half-widths of the 1014- and 1033-cm -1 bands of the Raman spectrum of quinoline at its dilution in neutral solvents (benzene, CCl 4 ) are narrowed by 1.3-1.5 times at high dilutions. This effect is associated with the increased time of the vibrational relaxation. For the 520-cm -1 band in pure liquid quinoline, the parallel polarized component at 20 o C is asymmetric in the high-frequency region. The shape of the perpendicular polarized component is complicated. A non-coincidence of the peak frequencies of the parallel and perpendicular polarized components is observed (∼ 2 cm -1 ). Quantum-chemical calculations showed that, in the region of 520 cm -1 for a monomer molecule, we should really have two near located lines with the wavenumbers 530 and 527 cm -1 (scaling factor 0.97), and with the depolarization ratios 0.61 and 0.26. In the solutions with propan-2-ol, the 1033.8-cm -1 band becomes of a doublet character. The resolution of the doublet becomes better by the dilution of a binary quinoline-alcohol solution with a large amount of a neutral solvent (benzene). The wavenumbers of bands in the triple mixture are 1033 cm -1 and 1039 cm -1 . The doublet nature of the band in the binary and triple mixtures is associated with the presence of monomer molecules and quinoline-propan-2-ol aggregates (the high-frequency line) in the liquid mixture. Quantum-chemical calculations showed that the hydrogen bonds with a length of 1.958 A and an energy gain of 22.0 kJ/mole can be formed between molecules of quinoline and alcohol. The formation of aggregates can be also detected in the 820-cm -1 band of propan-2-ol. A similar picture is observed for the 667-cm -1 band of chloroform in its solution with quinoline.

  2. Calculations of oscillation spectra of disordered interstitial solid solutions of vanadium-oxygen system

    International Nuclear Information System (INIS)

    Danilkin, S.A.

    1978-01-01

    The frequency spectra calculation of disordered solid interstitial solutions of a vanadium-oxygen system for oxygen concentration of 5.9% and 15.8% (V 16 O and V 16 O 3 ) is carried out. The axially-symmetric model of crystal lattice dinamics with consideration of vanadium-oxygen and vanadium-vanadium interactions up to the second coordination sphere is used. On the whole, the obtained spectra are in qualitative agreement with experiment and reflect correctly all the changes in frequency spectra of pure vanadium on doping with oxygen

  3. The X-ray electronic spectra of TiC-NbC solid solution

    International Nuclear Information System (INIS)

    Cherkashenko, V.M.; Ezhov, A.V.; Nazarova, S.Z.; Kurmaev, Eh.Z.; Nojmann, M.

    2001-01-01

    X-ray photoelectronic spectra of inner levels and valency lands in TiC-NbC solid solutions were studied. Results of combining TiL α -, NbL β2.15 -, CK α - X-ray emission spectra and photoelectronic spectra of valency bands in one energy scale in reference to the Fermi level were analyzed. It is shown that a change in crystal lattice parameters, as well as charge redistribution between titanium and niobium atoms, produce a strong effect on electronic structure formation in the mixed carbides mentioned [ru

  4. Investigation of complexing of vitamine B-6 with rare earth ions by PMR and luminescent spectroscopy

    International Nuclear Information System (INIS)

    Buiklinskij, V.D.; Zelenov, V.I.; Zolin, V.F.; Koreneva, L.G.; Panyushkin, V.T.

    1981-01-01

    To investigate the complexing of pyridoxine (P), pyridoxal (PL) and pyridoxamine (PM) with lanthanide ions the changes of PMR spectra of ligands in the presence of cerium, praseodymium, neodymium, europium, gadolinium ions, as well as luminescence and absorption spectra of europium in the presence of ligands are used. Using the optical spectroscopy it has been shown that the PL and PM complexes do not have axial symmetry. The values of parameters of the crystalline field of the second order, determining the anisotropy of magnetic susceptibility of europium complexes are evaluated. With an aid of PMR and luminescence spectroscopy it is shown that lanthanide ions coordinate the hydroxy groups of ligands. In the case of P and especially PL oxygen of the substituent in position 4 takes part in the coordination. Using the PMR spectroscopy the difference of the substituent location near C4 in the PM complex from its location in the P and PL complexes as well as the difference in the position of lanthanide ion in the complexes of all the three ligands are detected. The reasons for the differences above are discussed [ru

  5. Isothermal aging effects on PMR-15 resin

    Science.gov (United States)

    Bowles, Kenneth J.; Jayne, Douglas; Leonhardt, Todd A.

    1993-01-01

    Specimens of PMR-15 polyimide neat resin were aged in air at temperatures of 288, 316, and 343 C. Weight losses and dimensional changes were monitored during the course of the exposure time. Physical changes were also observed by optical and electron microscopy. It was found that polyimide polymer degradation occurred within a thin surface layer that developed and grew during thermal aging. The cores of the polymer specimens were protected from oxidative degradation, and they were relatively unchanged by the thermal treatment. Surface cracking was observed at 343 C and was probably due to an interaction between voids and stresses that developed in the surface layer.

  6. 40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

    Science.gov (United States)

    2010-07-01

    ... applied to measure the absorption spectra. (b) Method—(1)(i) Introduction, purpose, scope, relevance... volume of HCl or NaOH in aqueous solution ([HCl], [NaOH]=1 mol/L). (4) In theory, all chemical species...) Katelaar, J.A.A., Photoelectric Spectrometry Group Bulletin, 8, (Cambridge, 1955). (3) Chemical Rubber...

  7. DMSO-Water Clustering in Solution Observed in Soft X-ray Spectra.

    Science.gov (United States)

    Engel, Nicholas; Atak, Kaan; Lange, Kathrin M; Gotz, Malte; Soldatov, Mikhail; Golnak, Ronny; Suljoti, Edlira; Rubensson, Jan-Erik; Aziz, Emad F

    2012-12-20

    The significant deviation from the ideality of dimethyl sulfoxide (DMSO)/water mixtures can be addressed based on the change of the local molecular orbitals of each solvent upon mixing. Oxygen K-edge absorption and emission spectra of DMSO/water solutions were measured using the liquid microjet technique. The spectra demonstrate that the hydrogen bond network in liquid water is already influenced at small DMSO concentrations, and at the molar fraction xDMSO = 0.43 we find strong evidence of DMSO-water clustering reflected by the influence on the occupied molecular orbitals.

  8. {sup 31}P-MR spectroscopy of the brain in patients with anorexia nervosa: characteristic differences in the spectra between patients and healthy control subjects; {sup 31}P-MRS des Hirns bei Anorexia nervosa: charakteristische Unterschiede in den Spektren von Patienten und gesunden Vergleichspersonen

    Energy Technology Data Exchange (ETDEWEB)

    Rzanny, R.; Reichenbach, J.R.; Mentzel, H.J.; Pfleiderer, S.O.R.; Kaiser, W.A. [Inst. fuer Diagnostische und Interventionelle Radiologie, Klinikum der Friedrich-Schiller-Univ. Jena (Germany); Freesmeyer, D.; Klemm, S.; Gerhard, U.J.; Blanz, B. [Klinik fuer Kinder- und Jugendpsychiatrie, Klinikum der Friedrich-Schiller-Univ. Jena (Germany)

    2003-01-01

    Purpose: To investigate whether {sup 31}P-MR spectroscopy can detect reduced concentrations of high-energy phosphates, like PCr and NTP, caused by decreased metabolic activity in the brain of patients with anorexia nervosa (AN) and, furthermore, whether any impairment of the cerebral membrane metabolism can be derived from the spectra. Material and Methods: 10 female patients, age range 12 - 20 years and mean BMI (body mass index) of 14.8 {+-} 1.6 kg/m{sup 2}, with clinically diagnosed AN (ICD-10, F50.0) and 10 healthy control subjects, age range 12 - 21 years and mean BMI 19.0 {+-} 2.1 kg/m{sup 2}, without nutritional disturbances: were investigated. {sup 31}P-MR spectroscopy was performed with a 1.5 T MRI unit using single volume selection in the frontal/prefrontal region of brain. Relative metabolic concentrations were quantified by normalizing the peak areas of the metabolites with the total area of the complete phosphorous spectrum, P{sub tot}, as well as with the peak area of β-NTP. Results: Significant differences between the two groups were observed for the metabolic ratios PDE/P{sub tot}, PDE/β-NTP and {alpha}-NTP/P{sub tot} which were lower in the patient group except for {alpha}-NTP/P{sub tot}. These ratios also revealed a statistically significant correlation with the BMI (r{sub PDE/Ptot} = 0.747, r{sub PDE/β-NTP} = 0.57, r{sub {alpha}}{sub -NTP/Ptot} = -0.56; p {<=} 0.1). Reduced relative concentrations of PCr/P{sub tot}, β-NTP/P{sub tot} or Pi/P{sub tot} were not encountered. Conclusion: The lowered PDE/P{sub tot} ratio for patients with AN and its correlation with BMI suggests that decreased BMI induces compositional changes of the phospholipids in the brain, which decrease the fraction of mobile phospholipids. (orig.) [German] Problemstellung: Das Ziel dieser Studie war es zu untersuchen, ob mit Hilfe der {sup 31}P-MR-Spektroskopie ({sup 31}P-MRS) im Gehirn von Patienten mit Anorexia nervosa (AN) verringerte Konzentrationen an

  9. Manifestation of hydrogen bonds of aqueous ethanol solutions in the Raman scattering spectra

    International Nuclear Information System (INIS)

    Dolenko, T A; Burikov, S A; Patsaeva, S V; Yuzhakov, V I

    2011-01-01

    Spectra of Raman scattering of light by aqueous ethanol solutions in the range of concentrations from pure water to 96% alcohol are studied. For water, 25%, and 40% solutions of ethanol in water, as well as for 96% alcohol the Raman spectra are measured at temperatures from the freezing point to nearly the boiling point. The changes in the shape of the stretching OH band are interpreted in terms of strengthening or weakening of hydrogen bonds between the molecules in the solution. The strongest hydrogen bonding of hydroxyl groups is observed at the ethanol content from 20 to 25 volume percent, which is explained by formation of ethanol hydrates of a definite type at the mentioned concentrations of alcohol. This is confirmed by means of the method of multivariate curve resolution, used to analyse the Raman spectra of aqueous ethanol solutions. With growing temperature the weakening of hydrogen bonding occurs in all studied systems, which consists in reducing the number of OH groups, linked by strong hydrogen bonds. (laser applications and other problems in quantum electronics)

  10. Solution of Heliospheric Propagation: Unveiling the Local Interstellar Spectra of Cosmic-ray Species

    Energy Technology Data Exchange (ETDEWEB)

    Boschini, M. J.; Torre, S. Della; Gervasi, M.; Grandi, D.; Vacca, G. La; Pensotti, S.; Rancoita, P. G.; Rozza, D.; Tacconi, M. [INFN, Milano-Bicocca, Milano (Italy); Jóhannesson, G. [Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik (Iceland); Kachelriess, M. [Institutt for fysikk, NTNU, NO-7491 Trondheim (Norway); Masi, N.; Quadrani, L. [INFN, Bologna (Italy); Moskalenko, I. V.; Orlando, E.; Porter, T. A. [Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305 (United States); Ostapchenko, S. S. [Frankfurt Institute of Advanced Studies, Frankfurt (Germany)

    2017-05-10

    Local interstellar spectra (LIS) for protons, helium, and antiprotons are built using the most recent experimental results combined with state-of-the-art models for propagation in the Galaxy and heliosphere. Two propagation packages, GALPROP and HelMod, are combined to provide a single framework that is run to reproduce direct measurements of cosmic-ray (CR) species at different modulation levels and at both polarities of the solar magnetic field. To do so in a self-consistent way, an iterative procedure was developed, where the GALPROP LIS output is fed into HelMod, providing modulated spectra for specific time periods of selected experiments to compare with the data; the HelMod parameter optimization is performed at this stage and looped back to adjust the LIS using the new GALPROP run. The parameters were tuned with the maximum likelihood procedure using an extensive data set of proton spectra from 1997 to 2015. The proposed LIS accommodate both the low-energy interstellar CR spectra measured by Voyager 1 and the high-energy observations by BESS, Pamela, AMS-01, and AMS-02 made from the balloons and near-Earth payloads; it also accounts for Ulysses counting rate features measured out of the ecliptic plane. The found solution is in a good agreement with proton, helium, and antiproton data by AMS-02, BESS, and PAMELA in the whole energy range.

  11. Electronic spectra of plutonium ions in nitric acid and in lithium nitrate solutions

    International Nuclear Information System (INIS)

    Mekhail, F.M.

    1987-01-01

    The absorption spectra of plutonium ions in nitric acid have been described. There is a characteristic change in the absorption spectra of Pu v in lithium nitrate solutions. In 2 M-lithium nitrate a new peak at 969 nm and high absorption at 1200 nm are noticed. A decrease in the absorption by about 20% and the appearance of a new shoulder at 1120 nm in 6 M-lithium nitrate are found. There is no change in the spectrum in 4 M-lithium nitrate. The absorption spectra of plutonium ions in the spectral range 200 - 400 nm are interesting. All plutonium ions have an intense band in the region 250 - 260 nm as well as a less intense and rather diffuse band at 320 - 330 nm in lithium nitrate solutions the sharp band at 250 - 260 nm has disappeared. This suggests that this band is very sensitive to the environmental field. The band is probably produced by 5 F q → 5 f q-1 6 d transition as well as electron transfer. It is believed that the spectrum of Pu V at pH 6.5 represents the hydrolysis product Pu O 2 (O H). 9 fig., 4 tab

  12. Temperature dependent absorption spectra of Br(-), Br2(•-), and Br3(-) in aqueous solutions.

    Science.gov (United States)

    Lin, Mingzhang; Archirel, Pierre; Van-Oanh, Nguyen Thi; Muroya, Yusa; Fu, Haiying; Yan, Yu; Nagaishi, Ryuji; Kumagai, Yuta; Katsumura, Yosuke; Mostafavi, Mehran

    2011-05-05

    The absorption spectra of Br(2)(•-) and Br(3)(-) in aqueous solutions are investigated by pulse radiolysis techniques from room temperature to 380 and 350 °C, respectively. Br(2)(•-) can be observed even in supercritical conditions, showing that this species could be used as a probe in pulse radiolysis at high temperature and even under supercritical conditions. The weak temperature effect on the absorption spectra of Br(2)(•-) and Br(3)(-) is because, in these two systems, the transition occurs between two valence states; for example, for Br(2)(-) we have (2)Σ(u) → (2)Σ(g) transition. These valence transitions involve no diffuse final state. However, the absorption band of Br(-) undergoes an important red shift to longer wavelengths. We performed classical dynamics of hydrated Br(-) system at 20 and 300 °C under pressure of 25 MPa. The radial distribution functions (rdf's) show that the strong temperature increase (from 20 to 300 °C) does not change the radius of the solvent first shell. On the other hand, it shifts dramatically (by 1 Å) the second maximum of the Br-O rdf and introduces much disorder. This shows that the first water shell is strongly bound to the anion whatever the temperature. The first two water shells form a cavity of a roughly spherical shape around the anion. By TDDFT method, we calculated the absorption spectra of hydrated Br(-) at two temperatures and we compared the results with the experimental data.

  13. Electron spectra and mechanism of complexing of uranyl nitrate in water-acetone solutions

    International Nuclear Information System (INIS)

    Zazhogin, A.A.; Zazhogin, A.P.; Komyak, A.I.; Serafimovich, A.I.

    2003-01-01

    Based on the analysis of the luminescence and electronic absorption spectra, the processes of complexing in an aqueous solution of UO 2 (NO 3 ) 2 ·6H 2 O with small additions of acetone have been studied. In a pure aqueous solution, uranyl exists as the complex UO 2 ·5H 2 O. It is shown that the addition of acetone to the solution leads to the displacement of some water molecules out of the first coordination sphere of uranyl and the formation of the uranyl nitrate dihydrate complexes UO 2 (NO 3 ) 2 ·2H 2 O. It has been established that the stability of these complexes is determined by the decrease in the water activity and in the degree of hydration of uranyl and nitrate, which is the result of the local increase in the concentration of acetone molecules (due to their hydrophobicity) in the regions of the solution where uranyl and nitrate ions are found. The experimental facts supported the mechanism proposed are presented. (authors)

  14. Soft X-ray absorption spectra of aqueous salt solutions with highly charged cations in liquid microjets

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Craig P.; Uejio, Janel S.; Duffin, Andrew M.; Drisdell, Walter S.; Smith, Jared D.; Saykally, Richard J.

    2010-03-11

    X-ray absorption spectra of 1M aqueous solutions of indium (III) chloride, yttrium (III) bromide, lanthanum (III) chloride, tin (IV) chloride and chromium (III) chloride have been measured at the oxygen K-edge. Relatively minor changes are observed in the spectra compared to that of pure water. SnCl{sub 4} and CrCl{sub 3} exhibit a new onset feature which is attributed to formation of hydroxide or other complex molecules in the solution. At higher energy, only relatively minor, but salt-specific changes in the spectra occur. The small magnitude of the observed spectral changes is ascribed to offsetting perturbations by the cations and anions.

  15. EPR spectra of vanadyl(2) intra-complexes with amino acids in solutions

    International Nuclear Information System (INIS)

    Shodiev, U.M.; Musaev, Z.M.; Khodzhaev, O.F.; Usmankhodzhaeva, Ya.S.; Parpiev, N.A.

    1987-01-01

    EPR spectra of vanadyl (2) intracomplexes with glycine, α- and β-alanines, benzoylglycine, lencine, glutamine and the aspartic acid of VOL 2 xH 2 O composition as well as with cystine of VOLxH 2 O composition (where L-monodeprotonated, in case of cystine and the aspartic acid - dideprotonated form of the amino acid) in aqueous, methanol, dimethylsulfoxide and pyridine solutions are studied. It is established that the structure determined in the solid state is retained in the dimethylsulfoxide solution and partially - in methanol. In aqueous, pyridine and partially in methanol solutions complexes are distorted and two molecules of the amino acid are coordinated monodentately through oxygen atoms of the carboxyl group, and ''vacant'' coordination places in the equatorial plane take two molecules of the solvent. From the data obtained it follows that the metal - nitrogen bond in the vanadyl (2) complexes studied with amino acids is not so strong than the metal - oxygen bond of the carboxyl ligand group

  16. A solution of nonlinear equation for the gravity wave spectra from Adomian decomposition method: a first approach

    Directory of Open Access Journals (Sweden)

    Antonio Gledson Goulart

    2013-12-01

    Full Text Available In this paper, the equation for the gravity wave spectra in mean atmosphere is analytically solved without linearization by the Adomian decomposition method. As a consequence, the nonlinear nature of problem is preserved and the errors found in the results are only due to the parameterization. The results, with the parameterization applied in the simulations, indicate that the linear solution of the equation is a good approximation only for heights shorter than ten kilometers, because the linearization the equation leads to a solution that does not correctly describe the kinetic energy spectra.

  17. Solution of Large Systems of Linear Equations with Quadratic or Non-Quadratic Matrices and Deconvoiution of Spectra

    Energy Technology Data Exchange (ETDEWEB)

    Nygaard, K

    1967-12-15

    The numerical deconvolution of spectra is equivalent to the solution of a (large) system of linear equations with a matrix which is not necessarily a square matrix. The demand that the square sum of the residual errors shall be minimum is not in general sufficient to ensure a unique or 'sound' solution. Therefore other demands which may include the demand for minimum square errors are introduced which lead to 'sound' and 'non-oscillatory' solutions irrespective of the shape of the original matrix and of the determinant of the matrix of the normal equations.

  18. PMR investigation of configuration and mobility of H5O2+ ions in certain tungsten heteropolyacid hexahydrates

    International Nuclear Information System (INIS)

    Chuvaev, V.F.; Barash, A.B.

    1982-01-01

    PMR-method of wide bands has been used to investigate hexahydrates of tungsten typical heteropolyacids (HPA): H 3 PW 12 O 40 x6H 2 O, H 4 SiW 12 O 40 x6H 2 O, H 5 BW 12 O 40 x6H 2 O. The results are considered from the viewpoint of existing ideas on formation of H 5 O 2+ diaquohydrogen ions in the HPA structure. SoMe problems of stabilization of low-level hydrates of tungsten and molybdenum HPA are considered as well. The data of PMR low-temperature (80K) spectra have been used to identify the H 3 O + ions, H 2 O mole-- cules and small number of free protons in the investigated HPA. Taking this into account the H 5 O 2+ under the conditions of solid lattice is characterized as static distribution of proton between two molecules of the water of H 3 O + xH 2 O group. Dependence of the PMR spectra on temperature detects two transition regions, caused by mobility of the H 5 O 2+ elements. In the region of first transition (up to 250 K) the H 3 O + xH 2 O static configuration became dynamical, because of quick proton fluctuation along the 0...0 bond and librations of the H 2 O molequles. Then, higher than 250K, the H 5 O 2+ motion became more isotopic and then diffusion. Dynamical state of the H 5 O 2+ in H 3 PW 12 O 40 x6H 2 O and H 4 SiW 12 O 40 x6H 2 O hexahydrates in the wide temperature range is of limited nature, caused by specific of the H 5 O 2+ localizetion in the HPA structure

  19. Molecular complex of lumiflavin and 2-aminobenzoic acid: crystal structure, crystal spectra, and solution properties.

    Science.gov (United States)

    Shieh, H S; Ghisla, S; Hanson, L K; Ludwig, M L; Nordman, C E

    1981-08-04

    The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N4O2.C7H7NO2.H2O) crystallizes from from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 A, c = 7.045 A, alpha = 95.44 degrees , beta = 95.86 degrees, and gamma = 105.66 degrees . The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating lumiflavin adn un-ionized (neutral) 2-aminobenzoic acid molecules. Two different modes of stacking interaction are observed. In one, 2-aminobenzoic acid overlaps all three of the isoalloxazine rings, at a mean distance of 3.36 A; in the other, 2-aminobenzoic acid interacts distance of 3.36 A; in the other, 2-aminobenzoic acid interacts with the pyrazine and dimethylbenzene moieties, at a distance of 3.42 A. Perpendicular to the stacking direction, the molecules form a continuous sheet. Each flavin is hydrogen bonded via O(2) and NH(3) to two symmetrically related aminobenzoates; the water of crystallization forms three hydrogen bonds, bridging two flavins, via O(4) and N(5), and one aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid molecules. Measurements of the polarized optical absorption spectra of crystals show that the transition moment direction for the long wavelength absorbance (beyond 530 nm) contains an out-of-plane component which can only arise from a charge-transfer interaction. Since the amino N does not make exceptionally close interactions with isoalloxazine atoms in either stacking mode (minimum interatomic distance 3.52 A), the charge transfer is presumed to involve pi orbitals of the 2-aminobenzoic acid donor.

  20. Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

    DEFF Research Database (Denmark)

    Martínez-Fernández, L.; Fahleson, Tobias; Norman, Patrick

    2017-01-01

    The excited electronic states of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing the magnetic circular dichroism (MCD) and one-photon absorption (OPA) spectra at the time-depe...

  1. The VA and VCD spectra of various isotopomers of L-alanine in aqueous solution

    DEFF Research Database (Denmark)

    Abdali, Salim; Jalkanen, Karl J.; Bohr, Henrik

    2002-01-01

    Density functional theory (DFT) at the Becke 3LYP level has been used to calculate the vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra of various deuterated species Of L-alanine. The effect of replacing the methine hydrogen, CH1, the methyl group, CH3, and both...

  2. The nonlinear dirac equation in Bose-Einstein condensates: vortex solutions and spectra in a weak harmonic trap

    Science.gov (United States)

    Haddad, L. H.; Carr, Lincoln D.

    2015-11-01

    We analyze the vortex solution space of the (2+1)-dimensional nonlinear Dirac equation for bosons in a honeycomb optical lattice at length scales much larger than the lattice spacing. Dirac point relativistic covariance combined with s-wave scattering for bosons leads to a large number of vortex solutions characterized by different functional forms for the internal spin and overall phase of the order parameter. We present a detailed derivation of these solutions which include skyrmions, half-quantum vortices, Mermin-Ho and Anderson-Toulouse vortices for vortex winding {\\ell }=1. For {\\ell }≥slant 2 we obtain topological as well as non-topological solutions defined by the asymptotic radial dependence. For arbitrary values of ℓ the non-topological solutions include bright ring-vortices which explicitly demonstrate the confining effects of the Dirac operator. We arrive at solutions through an asymptotic Bessel series, algebraic closed-forms, and using standard numerical shooting methods. By including a harmonic potential to simulate a finite trap we compute the discrete spectra associated with radially quantized modes. We demonstrate the continuous spectral mapping between the vortex and free particle limits for all of our solutions.

  3. Anther-preferential expressing gene PMR is essential for the mitosis of pollen development in rice.

    Science.gov (United States)

    Liu, Yaqin; Xu, Ya; Ling, Sheng; Liu, Shasha; Yao, Jialing

    2017-06-01

    Phenotype identification, expression examination, and function prediction declared that the anther-preferential expressing gene PMR may participate in regulation of male gametophyte development in rice. Male germline development in flowering plants produces the pair of sperm cells for double fertilization and the pollen mitosis is a key process of it. Although the structural features of male gametophyte have been defined, the molecular mechanisms regulating the mitotic cell cycle are not well elucidated in rice. Here, we reported an anther-preferential expressing gene in rice, PMR (Pollen Mitosis Relative), playing an essential role in male gametogenesis. When PMR gene was suppressed via RNAi, the mitosis of microspore was severely damaged, and the plants formed unmatured pollens containing only one or two nucleuses at the anthesis, ultimately leading to serious reduction of pollen fertility and seed-setting. The CRISPR mutants, pmr-1 and pmr-2, both showed the similar defects as the PMR-RNAi lines. Further analysis revealed that PMR together with its co-expressing genes were liable to participate in the regulation of DNA metabolism in the nucleus, and affected the activities of some enzymes related to the cell cycle. We finally discussed that unknown protein PMR contained the PHD, SWIB and Plus-3 domains and they might have coordinating functions in regulation pathway of the pollen mitosis in rice.

  4. Analyzing pmrA and pmrB genes in Acinetobacter baumannii resistant to colistin in Shahid Rajai Shiraz, Iran Hospital by PCR: First report in Iran.

    Science.gov (United States)

    Sepahvand, Shahriar; Doudi, Monir; Davarpanah, Mohammad Ali; Bahador, Abbas; Ahmadi, Mehranoosh

    2016-07-01

    Acinetobacter baumanni is known as a worldwide emerging nosocomial infections and it is classified as one of the six dangerous microorganisms by Diseases Society of America. Multi drug-resistant strains of A. baumannii have been reported in recent decades, which may be a result of the high use of antimicrobial agents. Colistin is the last form of treatment against this organism. The presence of pmrA and pmrB genes in A. baumannii causes the resistance of this organism against Colistin. This cross-sectional study was performed on 100 samples of A. baumannii isolated from ulcer, urinary, respiratory, blood of patients admitted to the intensive care unit of Shahid Rajai Shiraz hospital within a 12-month period. The diagnosis was performed by microscopic and biochemical testing using microgen kits. Determining Colistin resistance was carried out by Diffusion Disc, Colistin antibiotic disc of MAST- England and E-test. The analysis of genes pmrA and pmrB genes was done by PCR. 100 A. baumannii samples were diagnosed out of which using diffusion disk 94 cases were sensitive to Colistin and 6 cases were resistant to it. The E-test results in resistant samples presented an MIC equal to 64 micrograms per milliliter. The PCR results in sensitive and resistant to Colistin samples presented the existence of pmrA and pmrB genes. The results indicated the presence of pmrA and pmrB genes that are the main reason of A. baumannii resistance against the last line of treatment of this organism to Colistin.

  5. Thermal stability relationships between PMR-15 resin and its composites

    Science.gov (United States)

    Bowles, Kenneth J.; Jayne, Douglas; Leonhardt, Todd A.; Bors, Dennis

    1993-01-01

    A study was conducted to investigate the relationship between the thermo-oxidative stability of PMR-15 matrix resin and the stability of graphite-fiber-reinforced composites that contain this resin as the matrix material. Three areas were investigated. The first was the effect of fiber/matrix interfacial bond strength on the isothermal aging weight loss of composites. By using type-A graphite fibers produced by Hercules, it was possible to study composites reinforced with fibers that were processed to receive different surface treatments. One of the fibers was untreated, a second fiber was treated by oxidation to enhance fiber/matrix bonding, and the third type of fiber was coated with an epoxy sizing. These treatments produced three significantly different interfacial bond strengths. The epoxy sizing on the third fiber was quickly oxidized from the bare fiber surfaces at 288, 316, and 343 C. The weight loss due to the removal of the sizing was constant at 1.5 percent. This initial weight loss was not observed in thermo-oxidative stability studies of composites. The PMR-15 matrix satisfactorily protected the reinforcemnt at all three temperatures.

  6. Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

    Science.gov (United States)

    Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

    2012-10-18

    Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

  7. Selective nonspecific solvation under dielectric saturation and fluorescence spectra of dye solutions in binary solvents.

    Science.gov (United States)

    Bakhshiev, N G; Kiselev, M B

    1991-09-01

    The influence of selective nonspecific solvation on the fluorescence spectra of three substitutedN-methylphthalimides in a binary solvent system consisting of a nonpolar (n-heptane) and a polar (pyridine) component has been studied under conditions close to dielectric saturation. The substantially nonlinearity of the effect is confirmation that the spectral shifts of fluorescence bands depend on the number of polar solvent molecules involved in solvating the dye molecule. The measured fluorescence spectral shifts determined by substituting one nonpolar solvent molecula with a polar one in the proximity of the dye molecule agree quantitatively with the forecasts of the previously proposed semiempirical theory which describes this nonlinear solvation phenomenon.

  8. Interactions of glutamine dipeptides with sodium dodecyl sulfate in aqueous solution measured by volume, conductivity, and fluorescence spectra

    Energy Technology Data Exchange (ETDEWEB)

    Yan Zhenning, E-mail: yanzzn@zzu.edu.cn [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450001 (China); Sun Ximeng; Li Weiwei; Li Yu [Department of Chemistry, Zhengzhou University, Zhengzhou, Henan 450001 (China); Wang Jianji [Department of Chemistry, Henan Normal University, Xinxiang, Henan 453007 (China)

    2011-10-15

    Highlights: > Ion-ion and ion-polar group interactions are dominant interactions. > The SDS addition and temperature increase cause a dehydration effect on dipeptides. > The addition of dipeptide in water decreases the c{sub cmc} of SDS. > Enthalpy-entropy compensation takes place during micellization. > Micelle aggregation number was decreased by addition of glutamine dipeptides. - Abstract: Densities, conductivities, and fluorescence spectra of {l_brace}sodium dodecyl sulfate (SDS) + glutamine dipeptide + water{r_brace} mixtures were measured as a function of temperature. The density data have been utilized to calculate apparent molar volumes, standard partial molar volumes (V{sub 2,{phi}}{sup o}), standard partial molar volumes of transfer from water to aqueous SDS solutions ({Delta}{sub t}V{sup o}), the hydration number, partial molar expansibility (E{sub {phi}}{sup o}), and Hepler's constant of glutamine dipeptides. The critical micellar concentration (c{sub cmc}) and the degree of counterion dissociation of SDS micelles obtained from electrical conductivity data have been estimated at various concentrations of glutamine dipeptide. Thermodynamic parameters of micellization of SDS in aqueous dipeptide solutions have been determined from c{sub cmc} values and an enthalpy-entropy compensation effect was observed for the ternary systems. The pyrene fluorescence spectra were used to study the change of micropolarity produced by the interaction of SDS with glutamine dipeptide, and the aggregation behavior of SDS. The results have been interpreted in terms of solute-solvent interactions and structural changes in the mixed solutions.

  9. Feasibility of Kevlar 49/PMR-15 polyimide for high temperature applications

    Science.gov (United States)

    Hanson, M. P.

    1980-01-01

    Kevlar 49 aramid organic fiber reinforced PMR-15 polyimide laminates were characterized to determine the applicability of the material to high temperature aerospace structures. Kevlar 49/3501-6 epoxy laminates were fabricated and characterized for comparison with the Kevlar 49/PMR-15 polyimide material. Flexural strengths and moduli and interlaminar shear strengths were determined from 75 to 600 F for the PMR-15 and from 75 to 450 F for the Kevlar 49/3501-6 epoxy material. The study also included the effects of hydrothermal and long-term elevated temperature exposures on the flexural strengths and moduli and the interlaminar shear strengths.

  10. Scaling Properties of Spectra in New Exact Solutions of Rotating, Multi-Component Fireball Hydrodynamics

    Directory of Open Access Journals (Sweden)

    Tamás Csörgő

    2018-03-01

    Full Text Available We describe fireballs that rehadronize from a perfect fluid of quark matter, characterized by the lattice QCD equation of state, to a chemically frozen, multi-component mixture, that contains various kinds of observable hadrons. For simplicity and clarity, we apply a non-relativistic approximation to describe the kinematics of this expansion. Unexpectedly, we identify a secondary explosion that may characterize fireball hydrodynamics at the QCD critical point. After rehadronization, the multi-component mixture of hadrons keeps on rotating and expanding together, similarly to a single component fluid. After kinetic freeze-out, the effective temperature T i of the single-particle spectra of hadron type h i is found to be a sum of the kinetic freeze-out temperature T f (that is independent of the hadron type h i and a term proportional to the mass m i of hadron type h i . The coefficient of proportionality to m i is found to be independent of the hadron type h i but to be dependent on the radial flow and vorticity of collective dynamics.

  11. Molecular Complex of Lumiflavin and 2-Aminobenzoic Acid : Crystal Structure, Crystal Spectra, and Solution Properties

    OpenAIRE

    Shieh, Huey-Sheng; Ghisla, Sandro; Hanson, Louise Karle; Ludwig, Martha L.; Nordman, Christer E.

    1981-01-01

    The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N402●C7H7N02●H2O)crystallizes from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 Å, c = 7.045 Å, α = 95.44°, β = 95.86°, and γ = 105.66°. The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating l...

  12. Kevlar/PMR-15 reduced drag DC-9 reverser stang fairing

    Science.gov (United States)

    Kawai, R. T.

    1982-01-01

    A reduced drag fairing for the afterbody enclosing the thrust reverser actuators on the DC-9 has been developed with Kevlar-49/PMR-15 advanced composite material. The improved fairing reduces airplane drag 1% compared to the production baseline. Use of composites reduces weight 40% compared to an equivalent metal fairing. The Kevlar-49/PMR-15 advanced composite is an organic matrix material system that can be used at temperatures up to 500 F.

  13. Lux level enhancement and reduction in electricity cost in commercial buildings by retrofitting with PMR luminaries

    International Nuclear Information System (INIS)

    Mariun, N.; Mohibullah; Jasni, J.; Lam, S.Y.

    2006-01-01

    Most of the existing commercial buildings are illuminated by luminaries systems during broad daylight and night which is provided by the renowned lighting industry. However, back in 1980s, the installed luminaries within the office compound were limited in choice of luminaire selection and cost factor impact. Some of the old commercial building are still using prismatic acrylic lens diffuser luminaries in order to brighten up the building for their business activities and a large number of luminaries are needed to illuminate equivalent illumination level as per requirement of the building bye-laws code. With the advancement in luminaries technology, the lighting industries have offered better solution to reduce energy costs by 50% or more, also able to improve the quality of light and reducing the quantity of luminaries requirement by introducing the parabolic mirror reflector (PMR) luminaries system. The selected commercial building as a case study to support this luminaries retrofitting program by comparing the existing luminaries with the retrofit luminaries in terms of the lux measurement and energy cost saving calculation is presented in this paper. Nevertheless, some general lighting design principle rules are also discussed

  14. Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

    Science.gov (United States)

    Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

    2016-03-21

    We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

  15. Structure of pyridine and quinoline vinyl ethers according to data from 1H and 13C NMR spectra and quantum-chemical calculations

    International Nuclear Information System (INIS)

    Afonin, A.V.; Voronov, V.K.; Andriankov, M.A.; Danovich, D.K.

    1987-01-01

    A systematic investigation of the structure of the vinyl ethers of heterocyclic compounds has not been undertaken. The present work was devoted to investigation of the stereochemical and electronic structure of the vinyl ethers of pyridine and quinoline. The PMR spectra of the samples were recorded for 5% solutions in deuterochloroform on a Tesla BS-497 spectrometer at 100 MHz. The 13 C NMR spectra were recorded on a Tesla BS-567A spectrometer at 25.1 MHz in deuterochloroform with the samples at concentrations of 30%. The internal standard was HMDS. The vinyl ethers of pyridine and quinoline exist preferentially in the nonplanar S-trans conformation. In the vinyl esters of pyridine and quinoline the p-π conjugation is concurrent in nature and depends on the position of the vinyloxy group in the heterocycle

  16. Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water.

    Science.gov (United States)

    Partovi-Azar, Pouya; Kühne, Thomas D

    2015-11-05

    We present a novel computational method to accurately calculate Raman spectra from first principles. Together with an extension of the second-generation Car-Parrinello method of Kühne et al. (Phys. Rev. Lett. 2007, 98, 066401) to propagate maximally localized Wannier functions together with the nuclei, a speed-up of one order of magnitude can be observed. This scheme thus allows to routinely calculate finite-temperature Raman spectra "on-the-fly" by means of ab-initio molecular dynamics simulations. To demonstrate the predictive power of this approach we investigate the effect of hydrophobic and hydrophilic solutes in water solution on the infrared and Raman spectra. © 2015 Wiley Periodicals, Inc.

  17. Simulations and analysis of the Raman scattering and differential Raman scattering/Raman optical activity (ROA) spectra of amino acids, peptides and proteins in aqueous solution

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R. M.; Bohr, Jakob

    2000-01-01

    The Raman and Raman optical activity (ROA) spectra of amino acids and small peptides in aqueous solution have been simulated by density functional theory and restricted Hartree/Fock methods. The treatment of the aqueous environment in treated in two ways. The water molecules in the first hydratio...

  18. Thermogravimetric analysis and thermal degradation behaviour of advanced PMR-X carbon fiber composites

    International Nuclear Information System (INIS)

    Rngie, M.

    2003-01-01

    Thermal degradation behavior of sized and unsized carbon fibers in polyimide matrix was investigated. Degradation of neat resin and unidirectional laminates were investigated by thermogravimetric analysis technique at temperatures between 470 d ig C -650 d ig C and up to 250 h rs. Isothermal ageing of the PMR-X composite samples under different test conditions (i. e. different temperatures and prolonged aging times), showed that oxidation and degradation occurs in stage three different rates. Thermogravimetric analysis showed that the cured PMR-X composite panels are more stable in an inert atmosphere (nitrogen atmosphere)than in air and the degradation of neat resin is much higher than the composite samples. However, the rate of degradation of the unsized untreated carbon fibers in nitrogen environment is much higher than that for the PMR-X composites containing sized fibers

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-08-07

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

  20. Molecular dynamics study of structure and vibrational spectra at zwitterionoic lipid/aqueous KCl, NaCl, and CaCl2 solution interfaces

    Science.gov (United States)

    Ishiyama, Tatsuya; Shirai, Shinnosuke; Okumura, Tomoaki; Morita, Akihiro

    2018-06-01

    Molecular dynamics (MD) simulations of KCl, NaCl, and CaCl2 solution/dipalmytoylphosphatidylcholine lipid interfaces were performed to analyze heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectra in relation to the interfacial water structure. The present MD simulation well reproduces the experimental spectra and elucidates a specific cation effect on the interfacial structure. The K+, Na+, and Ca2+ cation species penetrate in the lipid layer more than the anions in this order, due to the electrostatic interaction with negative polar groups of lipid, and the electric double layer between the cations and anions cancels the intrinsic orientation of water at the water/lipid interface. These mechanisms explain the HD-VSFG spectrum of the water/lipid interface and its spectral perturbation by adding the ions. The lipid monolayer reverses the order of surface preference of the cations at the solution/lipid interface from that at the solution/air interface.

  1. Balancing Performance and Sustainability in Next-Generation PMR Technologies for OMC Structures

    Science.gov (United States)

    2016-05-26

    John J. La Scala , Benjamin G. Harvey, Giuseppe R. Palmese, William S. Eck, Joshua M. Sadler, Santosh K. Yadav 5d. PROJECT NUMBER 5e. TASK NUMBER...PERFORMANCE AND SUSTAINABILITY IN NEXT-GENERATION PMR TECHNOLOGIES FOR OMC STRUCTURES Gregory R. Yandek,1 Jason T. Lamb,2 John J. La Scala ,3 Benjamin G

  2. A distinct alleles and genetic recombination of pmrCAB operon in species of Acinetobacter baumannii complex isolates.

    Science.gov (United States)

    Kim, Dae Hun; Ko, Kwan Soo

    2015-07-01

    To investigate pmrCAB sequence divergence in 5 species of Acinetobacter baumannii complex, a total of 80 isolates from a Korean hospital were explored. We evaluated nucleotide and amino acid polymorphisms of pmrCAB operon, and phylogenetic trees were constructed for each gene of prmCAB operon. Colistin and polymyxin B susceptibility was determined for all isolates, and multilocus sequence typing was also performed for A. baumannii isolates. Our results showed that each species of A. baumannii complex has divergent pmrCAB operon sequences. We identified a distinct pmrCAB allele allied with Acinetobacter nosocomialis in gene trees. Different grouping in each gene tree suggests sporadic recombination or emergence of pmrCAB genes among Acinetobacter species. Sequence polymorphisms among Acinetobacter species might not be associated with colistin resistance. We revealed that a distinct pmrCAB allele may be widespread across the continents such as North America and Asia and that sporadic genetic recombination or emergence of pmrCAB genes might occur. Copyright © 2015 Elsevier Inc. All rights reserved.

  3. Development of DMBZ-15 High-Glass-Transition-Temperature Polyimides as PMR-15 Replacements Given R&D 100 Award

    Science.gov (United States)

    Chuang, Kathy

    2004-01-01

    PMR-15, a high-temperature polyimide developed in the mid-1970s at the NASA Lewis Research Center,1 offers the combination of low cost, easy processing, and good high-temperature performance and stability. It has been recognized as the leading polymer matrix resin for carbon-fiber-reinforced composites used in aircraft engine components. The state-of-the-art PMR-15 polyimide composite has a glass-transition temperature (Tg) of 348 C (658 F). Since composite materials must be used at temperatures well below their glass-transition temperature, the long-term use temperatures of PMR-15 composites can be no higher than 288 C (550 F). In addition, PMR-15 is made from methylene dianiline (MDA), a known liver toxin. Concerns about the safety of workers exposed to MDA during the fabrication of PMR-15 components and about the environmental impact of PMR-15 waste disposal have led to the industry-wide implementation of special handling procedures to minimize the health risks associated with this material. These procedures have increased manufacturing and maintenance costs significantly and have limited the use of PMR-15 in commercial aircraft engine components.

  4. Dam methylation participates in the regulation of PmrA/PmrB and RcsC/RcsD/RcsB two component regulatory systems in Salmonella enterica serovar Enteritidis.

    Directory of Open Access Journals (Sweden)

    Sebastián Hernán Sarnacki

    Full Text Available The absence of Dam in Salmonella enterica serovar Enteritidis causes a defect in lipopolysaccharide (LPS pattern associated to a reduced expression of wzz gene. Wzz is the chain length regulator of the LPS O-antigen. Here we investigated whether Dam regulates wzz gene expression through its two known regulators, PmrA and RcsB. Thus, the expression of rcsB and pmrA was monitored by quantitative real-time RT-PCR and Western blotting using fusions with 3×FLAG tag in wild type (wt and dam strains of S. Enteritidis. Dam regulated the expression of both rcsB and pmrA genes; nevertheless, the defect in LPS pattern was only related to a diminished expression of RcsB. Interestingly, regulation of wzz in serovar Enteritidis differed from that reported earlier for serovar Typhimurium; RcsB induces wzz expression in both serovars, whereas PmrA induces wzz in S. Typhimurium but represses it in serovar Enteritidis. Moreover, we found that in S. Enteritidis there is an interaction between both wzz regulators: RcsB stimulates the expression of pmrA and PmrA represses the expression of rcsB. Our results would be an example of differential regulation of orthologous genes expression, providing differences in phenotypic traits between closely related bacterial serovars.

  5. The pmr gene, encoding a Ca2+-ATPase, is required for calcium and manganese homeostasis and normal development of hyphae and conidia in Neurospora crassa.

    Science.gov (United States)

    Bowman, Barry J; Abreu, Stephen; Johl, Jessica K; Bowman, Emma Jean

    2012-11-01

    The pmr gene is predicted to encode a Ca(2+)-ATPase in the secretory pathway. We examined two strains of Neurospora crassa that lacked PMR: the Δpmr strain, in which pmr was completely deleted, and pmr(RIP), in which the gene was extensively mutated. Both strains had identical, complex phenotypes. Compared to the wild type, these strains required high concentrations of calcium or manganese for optimal growth and had highly branched, slow-growing hyphae. They conidiated poorly, and the shape and size of the conidia were abnormal. Calcium accumulated in the Δpmr strains to only 20% of the wild-type level. High concentrations of MnCl(2) (1 to 5 mM) in growth medium partially suppressed the morphological defects but did not alter the defect in calcium accumulation. The Δpmr Δnca-2 double mutant (nca-2 encodes a Ca(2+)-ATPase in the plasma membrane) accumulated 8-fold more calcium than the wild type, and the morphology of the hyphae was more similar to that of wild-type hyphae. Previous experiments failed to show a function for nca-1, which encodes a SERCA-type Ca(2+)-ATPase in the endoplasmic reticulum (B. J. Bowman, S. Abreu, E. Margolles-Clark, M. Draskovic, and E. J. Bowman, Eukaryot. Cell 10:654-661, 2011). The pmr(RIP) Δnca-1 double mutant accumulated small amounts of calcium, like the Δpmr strain, but exhibited even more extreme morphological defects. Thus, PMR can apparently replace NCA-1 in the endoplasmic reticulum, but NCA-1 cannot replace PMR. The morphological defects in the Δpmr strain are likely caused, in part, by insufficient concentrations of calcium and manganese in the Golgi compartment; however, PMR is also needed to accumulate normal levels of calcium in the whole cell.

  6. The GlnR Regulon in Streptococcus mutans Is Differentially Regulated by GlnR and PmrA.

    Directory of Open Access Journals (Sweden)

    Yi-Ywan M Chen

    Full Text Available GlnR-mediated repression of the GlnR regulon at acidic pH is required for optimal acid tolerance in Streptococcus mutans, the etiologic agent for dental caries. Unlike most streptococci, the GlnR regulon is also regulated by newly identified PmrA (SMUGS5_RS05810 at the transcriptional level in S. mutans GS5. Results from gel mobility shift assays confirmed that both GlnR and PmrA recognized the putative GlnR box in the promoter regions of the GlnR regulon genes. By using a chemostat culture system, we found that PmrA activated the expression of the GlnR regulon at pH 7, and that this activation was enhanced by excess glucose. Deletion of pmrA (strain ΔPmrA reduced the survival rate of S. mutans GS5 at pH 3 moderately, whereas the GlnR mutant (strain ΔGlnR exhibited an acid-sensitive phenotype in the acid killing experiments. Elevated biofilm formation in both ΔGlnR and ΔPmrA mutant strains is likely a result of indirect regulation of the GlnR regulon since GlnR and PmrA regulate the regulon differently. Taken together, it is suggested that activation of the GlnR regulon by PmrA at pH 7 ensures adequate biosynthesis of amino acid precursor, whereas repression by GlnR at acidic pH allows greater ATP generation for acid tolerance. The tight regulation of the GlnR regulon in response to pH provides an advantage for S. mutans to better survive in its primary niche, the oral cavity.

  7. ToF-SIMS images and spectra of biomimetic calcium silicate-based cements after storage in solutions simulating the effects of human biological fluids

    Science.gov (United States)

    Torrisi, A.; Torrisi, V.; Tuccitto, N.; Gandolfi, M. G.; Prati, C.; Licciardello, A.

    2010-01-01

    ToF-SIMS images were obtained from a section of a tooth, obturated by means of a new calcium-silicate based cement (wTCF) after storage for 1 month in a saline solutions (DPBS), in order to simulate the body fluid effects on the obturation. Afterwards, ToF-SIMS spectra were obtained from model samples, prepared by using the same cement paste, after storage for 1 month and 8 months in two different saline solutions (DPBS and HBSS). ToF-SIMS spectra were also obtained from fluorine-free cement (wTC) samples after storage in HBSS for 1 month and 8 months and used for comparison. It was found that the composition of both the saline solution and the cement influenced the composition of the surface of disks and that longer is the storage greater are the differences. Segregation phenomena occur both on the cement obturation of the tooth and on the surface of the disks prepared by using the same cement. Indirect evidences of formation of new crystalline phases are supplied.

  8. Rapid PMR determination of hydrogen in titanium hydride and dehydrogenated titanium powders

    International Nuclear Information System (INIS)

    Il'enko, V.S.; Demidenko, L.M.

    1987-01-01

    Proton magnetic resonance (PMR) enables determining hydrogen quantitatively in titanium hydride and dehydrogenated titanium powders without destroying the specimen and is also more informative than high-temperature extraction methods. PMR provides data on the electron-nuclear interactions and the activation energies for hydrogen diffusion while also providing conclusions on the forms and positives of the hydrogen in the lattice and the binding to the metal atoms. The authors have developed a rapid method for determining hydrogen in titanium hydride and dehydrogenated titanium powders which reduces the analysis time and improves the metrological characteristics. The authors use a YaMR-5535 spectrometer working at 40 MHz upgraded for use with hydrogen in solids. The authors used specimens of mass about 2 g ground to 0.1 mm powder

  9. A novel mutation in pmrB mediates colistin resistance during therapy of Acinetobacter baumannii.

    Science.gov (United States)

    Dahdouh, Elias; Gómez-Gil, Rosa; Sanz, Sonia; González-Zorn, Bruno; Daoud, Ziad; Mingorance, Jesús; Suárez, Monica

    2017-06-01

    Acinetobacter baumannii is a highly versatile nosocomial pathogen. Multidrug resistance among A. baumannii isolates led to the use of colistin, subsequently giving rise to colistin-resistant strains. In this study, the genetic and phenotypic profiles of two colistin-resistant A. baumannii isolates were investigated. Two A. baumannii isolates were obtained from Patient 1 (C071 and C440) and three isolates were obtained from Patient 2 (C080, C314 and C428). Susceptibility profiles were determined by VITEK ® 2 and Etest. Clonality was determined by RAPD analysis and trilocus multiplex PCR. The pmrCAB operon was sequenced and common carbapenemase genes were screened for by PCR. Doubling times, haemolysis, surface motility, biofilm formation, siderophore production and proteolytic activity were phenotypically determined. Finally, whole-genome sequencing was performed for all five isolates. Isolates C440 and C428 were resistant to colistin and were clonally identical to their sensitive counterparts. The cause of colistin resistance was traced to the previously described P233S mutation in pmrB of C440 and to a novel ΔI19 mutation in pmrB of C428. bla OXA-58-like and bla GES-5 from the strains of Patients 1 and 2, respectively, were also detected. C440 had attenuated proteolytic activity and was positive for siderophore production compared with C071. No difference in in vitro virulence was detected between isolates C080, C314 and C428. In conclusion, one common and one novel mutation were encountered in pmrB from two distinct colistin-resistant A. baumannii isolates. These mutations caused colistin resistance during therapy in two distinct clones, and only one of them had altered in vitro virulence. Copyright © 2017 Elsevier B.V. and International Society of Chemotherapy. All rights reserved.

  10. Gender and Ethnic Diversity in Academic PM&R Faculty: National Trend Analysis of Two Decades.

    Science.gov (United States)

    Hwang, Jaeho; Byrd, Kia; Nguyen, Michael O; Liu, Michael; Huang, Yuru; Bae, Gordon H

    2017-08-01

    Over the years, a number of studies have demonstrated an increase in gender and ethnic diversity among US physicians. Despite substantial progress in eliminating gender and racial inequities in the field of medicine, women and ethnic minorities are still underrepresented among medical faculty at academic institutions. This study aims to describe the trends in gender and ethnic diversity among Physical Medicine and Rehabilitation (PM&R) faculty through statistical analysis of data describing gender and ethnicity of full-time academic faculty gathered from the Association of American Medical Colleges Faculty Roster from 1994 to 2014. Proportions representing the percentages of females and ethnic minorities of a given faculty position in medical schools were compared across each of the other faculty ranks. Results showed that the average yearly percent increases in the proportion of female PM&R faculty in associate professor (0.68%) and full professor (0.54%) positions were greater than those in instructor (0.30%) and assistant professor (0.35%) positions. In contrast, the average yearly percent increase in the proportion of non-Caucasian PM&R faculty in full professor positions (0.19%) was less than those in instructor (0.84%), assistant (0.93%), and associate professor (0.89%) positions. Overall, trends among faculty exhibit a steady increase in gender and ethnic diversity, although promotion disparity continues to exist among specific academic positions for some groups. This study provides a current perspective on recent changes in diversity among faculty in PM&R and may prove useful when defining strategies to improve workforce diversity.

  11. NMR study of structure of lanthanide complexes in solution

    International Nuclear Information System (INIS)

    Choppin, G.R.

    1976-01-01

    The diagnostic value PMR studies of diamagnetic lanthanide complexes to define the nature of the species in the lanthanide-pyruvate system is discussed. The use of NMR spectra of both diamagnetic and paramagnetic lanthanide complexes to obtain detailed structural information is reviewed

  12. Q-mode curve resolution of UV-vis spectra for structural transformation studies of anthocyanins in acidic solutions

    International Nuclear Information System (INIS)

    Marco, Paulo Henrique; Scarminio, Ieda Spacino

    2007-01-01

    Chemometric analysis of ultraviolet-visible (UV-vis) spectra for pH values 1.0, 3.3, 5.3, and 6.9 was used to investigate the kinetics and the structural transformations of anthocyanins in extracts of calyces of hibiscus flowers of the Hibiscus acetosella Welw. ex Finicius for the first time. Six different species were detected: the quinoidal base (A), the flavylium cation (AH + ), the pseudobase or carbinol pseudobase (B), cis-chalcone (C C ), trans-chalcone (C t ), and ionized cis-chalcone (C C - ). Four equilibrium constant values were calculated using relative concentrations, hydration, pK h =2.60+/-0.01, tautomeric, K T =0.14+/-0.01, acid-base, pK a =4.24+/-0.04, and ionization of the cis-chalcone, pK C C =8.74+/-1.5x10 -2 . The calculated protonation rate of the tautomers is K H + =0.08+/-7.6x10 -3 . These constants are in excellent agreement with those measured previously in salt form. From a kinetic viewpoint, the situation encountered is interesting since the reported investigation is limited to visible light absorption in acid medium. These models have not been reported in the literature

  13. Q-mode curve resolution of UV-vis spectra for structural transformation studies of anthocyanins in acidic solutions

    Energy Technology Data Exchange (ETDEWEB)

    Marco, Paulo Henrique [Laboratorio de Quimiometria em Ciencias Naturais, Departamento de Quimica, Universidade Estadual de Londrina, Caixa Postal 6001, CEP 86051-970 Londrina, Parana (Brazil); Scarminio, Ieda Spacino [Laboratorio de Quimiometria em Ciencias Naturais, Departamento de Quimica, Universidade Estadual de Londrina, Caixa Postal 6001, CEP 86051-970 Londrina, Parana (Brazil)]. E-mail: ieda@qui.uel.br

    2007-01-30

    Chemometric analysis of ultraviolet-visible (UV-vis) spectra for pH values 1.0, 3.3, 5.3, and 6.9 was used to investigate the kinetics and the structural transformations of anthocyanins in extracts of calyces of hibiscus flowers of the Hibiscus acetosella Welw. ex Finicius for the first time. Six different species were detected: the quinoidal base (A), the flavylium cation (AH{sup +}), the pseudobase or carbinol pseudobase (B), cis-chalcone (C{sub C}), trans-chalcone (C{sub t}), and ionized cis-chalcone (C{sub C}{sup -}). Four equilibrium constant values were calculated using relative concentrations, hydration, pK{sub h}=2.60+/-0.01, tautomeric, K{sub T}=0.14+/-0.01, acid-base, pK{sub a}=4.24+/-0.04, and ionization of the cis-chalcone, pK{sub C{sub C}}=8.74+/-1.5x10{sup -2}. The calculated protonation rate of the tautomers is K{sub H{sup +}}=0.08+/-7.6x10{sup -3}. These constants are in excellent agreement with those measured previously in salt form. From a kinetic viewpoint, the situation encountered is interesting since the reported investigation is limited to visible light absorption in acid medium. These models have not been reported in the literature.

  14. Influence of the pH value of a colloidal gold solution on the absorption spectra of an LSPR-assisted sensor

    International Nuclear Information System (INIS)

    Zhu, Jin; Li, Wenbin; Zhu, Mao; Zhang, Wei; Niu, Wencheng; Liu, Guohua

    2014-01-01

    The localized surface plasmon resonances (LSPRs) of gold particles assembled on a crystal plate are a powerful tool for biological sensors. Here, we prepare gold colloids in different pH solutions. We monitor the effects of the particle radius and particle coverage on the absorption spectra of AT-cut (r-face dihedral angle of about 3°) crystal plates supporting gold nanoparticles. The surface morphologies were monitored on silicon dioxide substrates using ultraviolet and visible (UV-vis) spectroscopy, and atomic force microscopy (AFM). The results showed that the gold particle coverage decreases with increasing pH value of the gold colloid solution. This phenomenon demonstrates that self-assembled gold surfaces were formed via the electrostatic adsorption of gold particles on the positively charged, ionized amino groups on the crystal plates in the acidic solution. The spectrum of gold nanoparticles with different coverage degree on the crystal plates showed that the LSPR properties are highly dependent on pH

  15. Pulse radiolysis study of the intermediates formed in ionic liquids. Intermediate spectra in the p-terphenyl solution in the ionic liquid methyltributylammonium bis[(trifluoromethyl)sulfonyl]imide

    International Nuclear Information System (INIS)

    Grodkowski, J.; Kocia, R.; Mirkowski, J.

    2006-01-01

    Room temperature ionic liquids (Il) are non-volatile,and non-flammable and serve as good solvents for various reactions, mainly for g reen processing . To understand the effect of these solvents on the chemical reactions, the rate constants of several elementary reactions in ionic liquids have been studied by the pulse radiolysis technique. In this study, the formation of intermediates derived from p-terphenyl (Tp) in the ionic liquid methyl tributylammonium bis[(trifluoromethyl)sulfonyl] imide (R 4 NNTf 2 ) solutions have been studied by pulse radiolysis as a part of broader studies concerning CO 2 reduction. The registered spectra can be explained by CO 2 reaction with solvated and dry electrons thus eliminating one path of TP ·- formation. Some TP ·- are formed by reaction of excited TP *- states with Tea. Direct reactions involving Tp, TP ·- , CO 2 and CO 2 ·- are too slow to be observed in pulse radiolysis time scale

  16. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    International Nuclear Information System (INIS)

    Sherrill, M.E.; Abdallah, J. Jr.; Csanak, G.; Kilcrease, D.P.; Dodd, E.S.; Fukuda, Y.; Akahane, Y.; Aoyama, M.; Inoue, N.; Ueda, H.; Yamakawa, K.; Faenov, A.Ya.; Magunov, A.I.; Pikuz, T.A.; Skobelev, I.Yu.

    2006-01-01

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He α spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model

  17. Coupled electron and atomic kinetics through the solution of the Boltzmann equation for generating time-dependent X-ray spectra

    Energy Technology Data Exchange (ETDEWEB)

    Sherrill, M.E. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States)]. E-mail: manolo@t4.lanl.gov; Abdallah, J. Jr. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Csanak, G. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Kilcrease, D.P. [Los Alamos National Laboratory, T-4, Los Alamos, NM 87545 (United States); Dodd, E.S. [Los Alamos National Laboratory, X-1, Los Alamos, NM 87545 (United States); Fukuda, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Akahane, Y. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Aoyama, M. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Inoue, N. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Ueda, H. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Yamakawa, K. [Advanced Photon Research Center, JAERI, Kyoto 619-0215 (Japan); Faenov, A.Ya. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Magunov, A.I. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Pikuz, T.A. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation); Skobelev, I.Yu. [Multicharged Ions Spectra Data Center of VNIIFTRI, Mendeleevo, Moscow Region 141570 (Russian Federation)

    2006-05-15

    In this work, we present a model that solves self-consistently the electron and atomic kinetics to characterize highly non-equilibrium plasmas, in particular for those systems where both the electron distribution function is far from Maxwellian and the evolution of the ion level populations are dominated by time-dependent atomic kinetics. In this model, level populations are obtained from a detailed collisional-radiative model where collision rates are computed from a time varying electron distribution function obtained from the solution of the zero-dimensional Boltzmann equation. The Boltzmann collision term includes the effects of electron-electron collisions, electron collisional ionization, excitation and de-excitation. An application for He{sub {alpha}} spectra from a short pulse laser irradiated argon cluster target will be shown to illustrate the results of our model.

  18. Kevlar/PMR-15 polyimide matrix composite for a complex shaped DC-9 drag reduction fairing

    Science.gov (United States)

    Kawai, R. T.; Mccarthy, R. F.; Willer, M. S.; Hrach, F. J.

    1982-01-01

    The Aircraft Energy Efficiency (ACEE) Program was established by NASA to improve the fuel efficiency of commercial transport aircraft and thereby to reduce the amount of fuel consumed by the air transportation industry. One of the final items developed by the program is an improved fairing which is the aft closure for the thrust reverser actuators on the JT8D nacelles on DC-9 aircraft. The reduced-drag fairing uses, in the interest of weight savings, an advanced composite construction. The composite material contains Kevlar 49 fibers in a PMR-15 matrix. Attention is given to the aerodynamic configuration, the material system, and aspects of fabrication development.

  19. PmrB Mutations Promote Polymyxin Resistance of Pseudomonas aeruginosa Isolated from Colistin-Treated Cystic Fibrosis Patients

    DEFF Research Database (Denmark)

    Moskowitz, Samuel M; Brannon, Mark K; Dasgupta, Nandini

    2012-01-01

    Pseudomonas aeruginosa can develop resistance to polymyxin and other cationic antimicrobial peptides. Previous work has shown that mutations in the PmrAB and PhoPQ regulatory systems can confer low to moderate levels of colistin (polymyxin E) resistance in laboratory strains and clinical isolates...

  20. Free radical formation in deoxyguanosine-5'-monophosphate γ-irradiated in frozen solution. A computer-assisted analysis of temperature-dependent ESR spectra

    International Nuclear Information System (INIS)

    Gregoli, S.; Olast, M.; Bertinchamps, A.

    1977-01-01

    Deoxyguanosine-5'-monophosphate (dGMP) was γ-irradiated at 77 K in frozen aqueous solution and then annealed in a stepwise fashion up to the melting point. During this process, the primary radicals formed in DGMP at 77 K are progressively converted into secondary radical species. This is observed as changes in the spectrum intensity and conformation. Computer-assisted analysis of these temperature-dependent spectra permitted us to identify the transient radical species involved and to draw up single-radical concentration kinetics vs temperature. The radiation chemical behavior of dGMP was found to be quite similar to that of dAMP, investigated previously. In both these purine derivatives, radical anions are converted into radicals of H-addition to C-8, and radical cations are converted into radicals of OH-addition to the same position. In dGMP, however, the cationic channel is only induced under certain experimental conditions (alkaline pH, presence of electron scavengers). At neutral pH, G + radicals are quite stable and finally become deactivated without being converted into secondary GOH radicals. Specific deuterium substitution at carbon C-8, and irradiation in H 2 O or in D 2 O, confirmed that both H + and OH - attachments do occur at C-8, and that both the H + and OH - groups come from the aqueous medium

  1. Molecular Mapping of PMR1, a Novel Locus Conferring Resistance to Powdery Mildew in Pepper (Capsicum annuum

    Directory of Open Access Journals (Sweden)

    Jinkwan Jo

    2017-12-01

    Full Text Available Powdery mildew, caused by Leveillula taurica, is a major fungal disease affecting greenhouse-grown pepper (Capsicum annuum. Powdery mildew resistance has a complex mode of inheritance. In the present study, we investigated a novel powdery mildew resistance locus, PMR1, using two mapping populations: 102 ‘VK515' F2:3 families (derived from a cross between resistant parental line ‘VK515R' and susceptible parental line ‘VK515S' and 80 ‘PM Singang' F2 plants (derived from the F1 ‘PM Singang' commercial hybrid. Genetic analysis of the F2:3 ‘VK515' and F2 ‘PM Singang' populations revealed a single dominant locus for inheritance of the powdery mildew resistance trait. Genetic mapping showed that the PMR1 locus is located on syntenic regions of pepper chromosome 4 in a 4-Mb region between markers CZ2_11628 and HRM4.1.6 in ‘VK515R'. Six molecular markers including one SCAR marker and five SNP markers were localized to a region 0 cM from the PMR1 locus. Two putative nucleotide-binding site leucine-rich repeat (NBS-LRR-type disease resistance genes were identified in this PMR1 region. Genotyping-by-sequencing (GBS and genetic mapping analysis revealed suppressed recombination in the PMR1 region, perhaps due to alien introgression. In addition, a comparison of species-specific InDel markers as well as GBS-derived SNP markers indicated that C. baccatum represents a possible source of such alien introgression of powdery mildew resistance into ‘VK515R'. The molecular markers developed in this study will be especially helpful for marker-assisted selection in pepper breeding programs for powdery mildew resistance.

  2. Molecular Mapping of PMR1, a Novel Locus Conferring Resistance to Powdery Mildew in Pepper (Capsicum annuum).

    Science.gov (United States)

    Jo, Jinkwan; Venkatesh, Jelli; Han, Koeun; Lee, Hea-Young; Choi, Gyung Ja; Lee, Hee Jae; Choi, Doil; Kang, Byoung-Cheorl

    2017-01-01

    Powdery mildew, caused by Leveillula taurica , is a major fungal disease affecting greenhouse-grown pepper ( Capsicum annuum ). Powdery mildew resistance has a complex mode of inheritance. In the present study, we investigated a novel powdery mildew resistance locus, PMR1 , using two mapping populations: 102 'VK515' F 2:3 families (derived from a cross between resistant parental line 'VK515R' and susceptible parental line 'VK515S') and 80 'PM Singang' F 2 plants (derived from the F 1 'PM Singang' commercial hybrid). Genetic analysis of the F 2:3 'VK515' and F 2 'PM Singang' populations revealed a single dominant locus for inheritance of the powdery mildew resistance trait. Genetic mapping showed that the PMR1 locus is located on syntenic regions of pepper chromosome 4 in a 4-Mb region between markers CZ2_11628 and HRM4.1.6 in 'VK515R'. Six molecular markers including one SCAR marker and five SNP markers were localized to a region 0 cM from the PMR1 locus. Two putative nucleotide-binding site leucine-rich repeat (NBS-LRR)-type disease resistance genes were identified in this PMR1 region. Genotyping-by-sequencing (GBS) and genetic mapping analysis revealed suppressed recombination in the PMR1 region, perhaps due to alien introgression. In addition, a comparison of species-specific InDel markers as well as GBS-derived SNP markers indicated that C. baccatum represents a possible source of such alien introgression of powdery mildew resistance into 'VK515R'. The molecular markers developed in this study will be especially helpful for marker-assisted selection in pepper breeding programs for powdery mildew resistance.

  3. Influence of baking on the photoluminescence spectra of In{sub 1-x} Ga{sub x} As{sub y} P{sub 1-y} solid solutions grown on Inp substrates

    Energy Technology Data Exchange (ETDEWEB)

    Mishurnyi, V.A.; Gorbatchev, A.Y.; Anda, F. De; Nieto N, J. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi (Mexico)

    2004-07-01

    The influence of thermal treatments on the photoluminescence spectra of In{sub 1-x} Ga{sub x} As{sub y} P{sub 1-y} epitaxial layers of various compositions grown by LPE on In P substrates has been studied. To prevent the epitaxial layers from degradation, due to phosphor evaporation during the baking, their surface was covered by spin-on SiO{sub 2} layers. The photoluminescence spectra did not change for solid solutions whose compositions were near In P and InGaAs. For compositions in the middle of the lattice-matched region, the variations were very noticeable because the appearance of additional peaks in the luminescence spectra. This could be related to the decomposition of those solid solutions whose compositions lie inside a theoretically predicted miscibility gap. (Author)

  4. PMR spectroscopy of Ca(II) complexes of ethylenediamine-N,N,N',N' - tetraacetic acid

    International Nuclear Information System (INIS)

    Novomesky, P.; Balgavy, P.; Majer, J.

    1977-01-01

    Proton magnetic resonance spectra for the EDTA complexes of Ca(II) were measured in aqueous solutions as a function of solution pH. It follows from the analysis of chemical shift changes that the nitrogen atoms rather than the carboxylate groups are protonated (as the pH is lowered) in the tetraanion of EDTA. The same conclusion follows for the protonization of the [CaEDTA] 2- complex in the acid pH range where the hydrogen complex [CaH(EDTA)] - is formed. The formation of [Ca(OH)EDTA] 3- was not observed at pH less than 12.6, at [CaEDTA] 2- concentration of 0.5 mol/l. In solutions with a metal-to-ligand molar ratio 1:1.5 two sets of resonance signals appear in the pH range from 12.8 to 6.0, the former for the free ligand and the latter for the stable [CaEDTA] 2- complex. However, from pH 6.0 to 4.35 only one set of broadened signals was observed, which indicates that an exchange process between free ligand, normal [CaEDTA] 2- complex and [CaH(EDTA)] - takes place. (author)

  5. PMR investigation into complexes of lanthanum and lutetium with ethylenediaminediacetic acid

    International Nuclear Information System (INIS)

    Kostromina, N.A.; Novikova, L.B.

    1975-01-01

    Proton resonance spectra of ethylendiaminediacetic acid (EDDA) and EDDA mixtures with La and Lu as function of pH of solution was studied. Sequence of EDDA (A 2- ) protonation was established; cations H 3 A + and H 4 A 2+ were found; dissociation constants of above mentioned cations were determined. Formation of H 2 LnA 3+ , HLnA 2+ and LnA + complexes in EDDA-Ln (1:1) system was found. Difference in the bonds mobility of lanthanum and lutetium complexes was determined: lanthanum forms complexes with labile, lutetium with non-labile bonds. Information on complexes structure is collected. Acid dissociation constants of protonated complexes of lanthanum with EDDA were determined

  6. 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)

  7. Results of the Preliminary Test in the 1/4-Scale RCCS of the PMR200 VHTR

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong-Hwan; Bae, Yoon-Yeong; Hong, Sung-Deok; Kim, Chan-Soo; Cho, Bong-Hyun; Kim, Min-Hwan [Nuclear Hydrogen Reactor Technology Development Dep., Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    The Reactor Cavity Cooling System (RCCS) is a key ex-vessel passive safety system that will ensure the safety of the PMR200, and its performance needs to be verified. For the difficulty of the full-scale test, a 1/4-scale RCCS facility, NACEF (Natural Cooling Experimental Facility), has been constructed at KAERI, and a shakedown test has been performed. A brief design and the preliminary test results of this facility are described. A 1/4-scale RCCS mockup of PMR200, NACEF, was constructed and tested preliminarily. The functioning of the facility worked quite well. Moreover, the preliminary test results show a fairly good agreement with past work except for the conductive heat transfer region in the riser bottom. After a remedy such as the installation of more precise flow meters and a more improved insulation, the test facility is likely to work well.

  8. PENERAPAN PEMBELAJARAN DENGAN PENDIDIKAN MATEMATIKA REALISTIK (PMR SECARA BERKELOMPOK UNTUK MENINGKATKAN KEMAMPUAN PEMECAHAN MASALAH MATEMATIS SISWA DI KELAS X SMA

    Directory of Open Access Journals (Sweden)

    Atik Krismiati

    2013-09-01

    Full Text Available Tujuan dari penelitian ini adalah untuk mengetahui peningkatan kemampuan pemecahan masalah matematis serta kinerja siswa. Subyek populasi dalam penelitian ini adalah siswa SMA Aloysius Bandung. Pendekatan yang digunakan dengan PMR. Instrumen yang digunakan terdiri dari: tes kemampuan pemecahan masalah dan aktivitas siswa selama pembelajaran. Secara keseluruhan siswa yang pembelajaran pemecahan masalah dengan metode PMR lebih baik dalam meningkatkan kemampuan pemecahan masalah, yaitu terlihat dengan adanya peningkatan dari siklus I ke siklus II. Kesulitan siswa terutama pada permasalahan dengan aspek argumentasi dan keakuratan. Selain itu kelebihan dari metode ini siswa lebih terlihat menyukai yaitu terlihat dengan antusiasnya mengerjakan tugas-tugas dari guru serta memberi alasan secara geometri, kreativitas, dan generalisasi yang sebagian besar perwujudannya dilakukan oleh siswa sendiri. Berdasarkan respon dan hasil akhir LKS menunjukkan aktivitas, dan kinerja yang lebih meningkatkan untuk setiap siklusnya Kata Kunci : Pendidikan Matematika Realistik, Pemecahan Masalah Matematis     The purpose of this study is to determine the increase in mathematical problem-solving skills as the well as student performance. The population subjects in this study are the high school students Aloysius Bandung . The approach applied is PMR . The used instruments consisted of : problem solving ability testing and students activities during the learning process. Overall, the students who are applying PMR method is better, which is seen from the increasing cycle I to cycle II. The primary students difficulties are on problems with aspects of argumentation and accuracy. However the advantages of this method the students look more enthusiastic in doing the tasks given are by the teachers, and they are also able to give geometrical and creative reasons. Which most of its manifestations are generally made by the students themselves. Based on the response and the

  9. The use of UV, FT-IR and Raman spectra for the identification of the newest penem analogs: solutions based on mathematic procedure and the density functional theory.

    Science.gov (United States)

    Cielecka-Piontek, J; Lewandowska, K; Barszcz, B; Paczkowska, M

    2013-02-15

    The application of ultraviolet, FT-IR and Raman spectra was proposed for identification studies of the newest penem analogs (doripenem, biapenem and faropenem). An identification of the newest penem analogs based on their separation from related substances was achieved after the application of first derivative of direct spectra in ultraviolet which permitted elimination of overlapping effects. A combination of experimental and theoretical studies was performed for analyzing the structure and vibrational spectra (FT-IR and Raman spectra) of doripenem, biapenem and faropenem. The calculations were conducted using the density functional theory with the B3LYP hybrid functional and 6-31G(d,p) basis set. The confirmation of the applicability of the DFT methodology for interpretation of vibrational IR and Raman spectra of the newest penem analogs contributed to determination of changes of vibrations in the area of the most labile bonds. By employing the theoretical approach it was possible to eliminate necessity of using reference standards which - considering the instability of penem analogs - require that correction coefficients are factored in. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. SAR compliance assessment of PMR 446 and FRS walkie-talkies.

    Science.gov (United States)

    Vermeeren, Günter; Joseph, Wout; Martens, Luc

    2015-10-01

    The vast amount of studies on radiofrequency dosimetry deal with exposure due to mobile devices and base station antennas for cellular communication systems. This study investigates compliance of walkie-talkies to exposure guidelines established by the International Commission on Non-Ionizing Radiation Protection and the Federal Communications Committee. The generic walkie-talkie consisted of a helical antenna and a ground plane and was derived by reverse engineering of a commercial walkie-talkie. Measured and simulated values of antenna characteristics and electromagnetic near fields of the generic walkie-talkie were within 2% and 8%, respectively. We also validated normalized electromagnetic near fields of the generic walkie-talkie against a commercial device and observed a very good agreement (deviation based on magnetic near field. Finally, we found that SAR of commercial devices is within current SAR limits for general public exposure for a worst-case duty cycle of 100%, that is, about 3 times and 6 times lower than the limit on the 1 g SAR (1.6 W/kg) and 10 g SAR (2 W/kg), respectively. But, an effective radiated power as specified by the Private Mobile Radio at 446 MHz (PMR 446) radio standard can cause localized SAR exceeding SAR limits for 1 g of tissue. © 2015 Wiley Periodicals, Inc.

  11. Vibrational analysis of various irotopes of L-alanyl-L-alanine in aqueous solution: Vibrational Absorption (VA), Vibrational Circular Dichroism (VCD), Raman and Raman Optical Activity (ROA) Spectra

    DEFF Research Database (Denmark)

    Jalkanen, Karl J.; Nieminen, R.M.; Knapp-Mohammady, M.

    2003-01-01

    . DFT Becke3LYP/6-31G* theory has been used to determine the geometry, Hessian, atomic polar tensors (APT), and atomic axial tensors (AAT), and the electric dipole-electric dipole polarizability derivatives (EDEDPD), which are required for us to simulate the VA, VCD, and Raman spectra. The electric...

  12. Behaviour of 29Si NMR and infrared spectra of aqueous sodium and potassium silica solutions as a function of (SiO2/M2+O) ratio

    International Nuclear Information System (INIS)

    Couty, R.; Fernandez, L.

    1996-01-01

    Sodium and potassium solutions of silica with silica concentration of 1,4 mo/kg and R ms = SiO 2 /M + 2 O ratios of 4.56 to 1.6 were obtained by depolymerization of amorphous silica gel in sodium and potassium hydroxide. Solutions have been characterized by 29 Si NMR and infrared spectroscopy. The results indicated that Na + and K + exhibit the same behaviour during the depolymerization of silica. (authors). 11 refs., 4 figs., 2 tabs

  13. EPR of gamma irradiated solid sucrose and UV spectra of its solution. An attempt for calibration of solid state/EPR dosimetry

    International Nuclear Information System (INIS)

    Yordanov, N.D.; Karakirova, Y.

    2007-01-01

    A simple new approach for independent calibration of solid state/EPR (SS/EPR) dosimetry system is reported. It is based on the fact that: (i) gamma-irradiation of solid sucrose (sugar) induces stable EPR detectable free radicals accompanied by UV detectable brown colour stable in the solid state and in solution; (ii) both the EPR intensity of gamma-irradiated solid sucrose and its solution UV absorbance linearly depend on the absorbed dose high energy radiation and may be independently used for dosimetric purpose; (iii) UV spectrometers are calibrated. The correlation between EPR response and absorbed dose radiation of solid sucrose and UV absorption of its solutions is used in the present communication for calibration purpose. The procedure of sucrose extraction from sucrose-paraffin dosimeters is described. The calibration procedure may be applied to any other (alanine, self-calibrated, etc.) SS/EPR dosimeters, simultaneously irradiated with sucrose

  14. Neutronics/Thermo-fluid Coupled Analysis of PMR-200 Equilibrium Cycle by CAPP/GAMMA+ Code System

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyun Chul; Tak, Nam-il [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-10-15

    The equilibrium core was obtained by performing CAPP stand-alone multi-cycle depletion calculation with critical rod position search. In this work, a code system for coupled neutronics and thermo-fluids simulation was developed using CAPP and GAMMA+ codes. A server program, INTCA, controls the two codes for coupled calculations and performs the mapping between the variables of the two codes based on the nodalization of the two codes. In order to extend the knowledge about the coupled behavior of a prismatic VHTR, the CAPP/GAMMA+ code system was applied to steady state performance analysis of PMR-200. The coupled calculation was carried out for the equilibrium core of PMR-200 from BOC to EOC. The peak fuel temperature was predicted to be 1372 .deg. C near MOC. However, the cycle-average fuel temperature was calculated as 1230 .deg. C, which is slightly below the design target of 1250 .deg. C. In addition, significant impact of the bypass flow on the central reflector temperature was found. Without bypass flow, the temperature of the active core region was slightly decreased while the temperature of the central and side reflector region was increased much. The both changes in the temperature increase the multiplication factor and the total change of the multiplication factor was more than 300 pcm. On the other hand, the effect of the bypass flow on the power density profile was not significant.

  15. From proton nuclear magnetic resonance spectra to pH. Assessment of {sup 1}H NMR pH indicator compound set for deuterium oxide solutions

    Energy Technology Data Exchange (ETDEWEB)

    Tynkkynen, Tuulia, E-mail: tuulia.tynkkynen@uku.fi [Laboratory of Chemistry, Department of Biosciences, University of Kuopio, PO Box 1627, 70211 Kuopio (Finland); Tiainen, Mika; Soininen, Pasi; Laatikainen, Reino [Laboratory of Chemistry, Department of Biosciences, University of Kuopio, PO Box 1627, 70211 Kuopio (Finland)

    2009-08-19

    In this study, a protocol for pH determination from D{sub 2}O samples using {sup 1}H NMR pH indicator compounds was developed and assessed by exploring the pH-dependency of 13 compounds giving pH-dependent {sup 1}H NMR signals. The indicators cover the pH range from pH* 0 to 7.2. Equations to transform the indicator chemical shifts to pH estimates are given here for acetic acid, formic acid, chloroacetic acid, dichloroacetic acid, creatine, creatinine, glycine, histidine, 1,2,4-triazole, and TSP (2,2,3,3-tetradeutero-3-(trimethylsilyl)-propionic acid). To characterize the method in presence of typical solutes, the effects of common metabolites, albumin and ionic strength were also evaluated. For the ionic strengths, the effects were also modelled. The experiments showed that the use of pH sensitive {sup 1}H NMR chemical shifts allows the pH determination of typical metabolite solutions with accuracy of 0.01-0.05 pH units. Also, when the ionic strength is known with accuracy better than 0.1 mol dm{sup -3} and the solute concentrations are low, pH{sub nmr}{sup *} (the NMR estimate of pH) can be assumed to be within 0.05 pH units from potentiometrically determined pH.

  16. Lattice vibration spectra. 16

    International Nuclear Information System (INIS)

    Lutz, H.D.; Willich, P.

    1977-01-01

    The FIR absorption spectra of pyrite type compounds RuS 2 , RuSsub(2-x)Sesub(x), RuSe 2 , RuTe 2 , OsS 2 , OsSe 2 , and PtP 2 as well as loellingite type phosphides FeP 2 , RuP 2 , and OsP 2 are reported. For RuS 2 , RuSe 2 , RuTe 2 , OsS 2 , and PtP 2 all of the five infrared allowed modes (k = 0) are observed. As a first result of a numerical normal coordinate treatment vibration forms of pyrite structure are communicated. The spectra show that lattice forces of corresponding sulfides, tellurides, and phosphides are about the same strength, but increase strongly by substitution of iron by ruthenium and especially of ruthenium by osmium. The lattice constants of the RuSsub(2-x)Sesub(x) solid solution obey Vegard's rule. (author)

  17. The neutron's Dirac-equation: Its rigorous solution at slab-like magnetic fields, non-relativistic approximation, energy spectra and statistical characteristics

    International Nuclear Information System (INIS)

    Zhang Yongde.

    1987-03-01

    In this paper, the neutron Dirac-equation is presented. After decoupling it into two equations of the simple spinors, the rigorous solution of this equation is obtained in the case of slab-like uniform magnetic fields at perpendicular incidence. At non-relativistic approximation and first order approximation of weak field (NRWFA), our results have included all results that have been obtained in references for this case up to now. The corresponding transformations of the neutron's spin vectors are given. The single particle spectrum and its approximate expression are obtained. The characteristics of quantum statistics with the approximate expression of energy spectrum are studied. (author). 15 refs

  18. Quantum mechanics/molecular mechanics modeling of photoelectron spectra: the carbon 1s core-electron binding energies of ethanol-water solutions.

    Science.gov (United States)

    Löytynoja, T; Niskanen, J; Jänkälä, K; Vahtras, O; Rinkevicius, Z; Ågren, H

    2014-11-20

    Using ethanol-water solutions as illustration, we demonstrate the capability of the hybrid quantum mechanics/molecular mechanics (QM/MM) paradigm to simulate core photoelectron spectroscopy: the binding energies and the chemical shifts. An integrated approach with QM/MM binding energy calculations coupled to preceding molecular dynamics sampling is adopted to generate binding energies averaged over the solute-solvent configurations available at a particular temperature and pressure and thus allowing for a statistical assessment with confidence levels for the final binding energies. The results are analyzed in terms of the contributions in the molecular mechanics model-electrostatic, polarization, and van der Waals-with atom or bond granulation of the corresponding MM charge and polarizability force-fields. The role of extramolecular charge transfer screening of the core-hole and explicit hydrogen bonding is studied by extending the QM core to cover the first solvation shell. The results are compared to those obtained from pure electrostatic and polarizable continuum models. Particularly, the dependence of the carbon 1s binding energies with respect to the ethanol concentration is studied. Our results indicate that QM/MM can be used as an all-encompassing model to study photoelectron binding energies and chemical shifts in solvent environments.

  19. Pmr, a histone-like protein H1 (H-NS) family protein encoded by the IncP-7 plasmid pCAR1, is a key global regulator that alters host function.

    Science.gov (United States)

    Yun, Choong-Soo; Suzuki, Chiho; Naito, Kunihiko; Takeda, Toshiharu; Takahashi, Yurika; Sai, Fumiya; Terabayashi, Tsuguno; Miyakoshi, Masatoshi; Shintani, Masaki; Nishida, Hiromi; Yamane, Hisakazu; Nojiri, Hideaki

    2010-09-01

    Histone-like protein H1 (H-NS) family proteins are nucleoid-associated proteins (NAPs) conserved among many bacterial species. The IncP-7 plasmid pCAR1 is transmissible among various Pseudomonas strains and carries a gene encoding the H-NS family protein, Pmr. Pseudomonas putida KT2440 is a host of pCAR1, which harbors five genes encoding the H-NS family proteins PP_1366 (TurA), PP_3765 (TurB), PP_0017 (TurC), PP_3693 (TurD), and PP_2947 (TurE). Quantitative reverse transcription-PCR (qRT-PCR) demonstrated that the presence of pCAR1 does not affect the transcription of these five genes and that only pmr, turA, and turB were primarily transcribed in KT2440(pCAR1). In vitro pull-down assays revealed that Pmr strongly interacted with itself and with TurA, TurB, and TurE. Transcriptome comparisons of the pmr disruptant, KT2440, and KT2440(pCAR1) strains indicated that pmr disruption had greater effects on the host transcriptome than did pCAR1 carriage. The transcriptional levels of some genes that increased with pCAR1 carriage, such as the mexEF-oprN efflux pump genes and parI, reverted with pmr disruption to levels in pCAR1-free KT2440. Transcriptional levels of putative horizontally acquired host genes were not altered by pCAR1 carriage but were altered by pmr disruption. Identification of genome-wide Pmr binding sites by ChAP-chip (chromatin affinity purification coupled with high-density tiling chip) analysis demonstrated that Pmr preferentially binds to horizontally acquired DNA regions. The Pmr binding sites overlapped well with the location of the genes differentially transcribed following pmr disruption on both the plasmid and the chromosome. Our findings indicate that Pmr is a key factor in optimizing gene transcription on pCAR1 and the host chromosome.

  20. Raman spectra of the solid-solution between Rb sub 2 La sub 2 Ti sub 3 O sub 1 sub 0 and RbCa sub 2 Nb sub 3 O sub 1 sub 0

    CERN Document Server

    Kim, H J; Yun, H S

    2001-01-01

    A site preference of niobium atom in Rb sub 2 sub - sub x La sub 2 Ti sub 3 sub - sub x Nb sub x O sub 1 sub 0 (0.0<=x<=1.0) and RbLa sub 2 sub - sub x Ca sub x Ti sub 2 sub - sub x Nb sub 1 sub + sub x O sub 1 sub 0 (0.0<=x<= 2.0), which are the solid-solutions between Rb sub 2 La sub 2 Ti sub 3 O sub 1 sub 0 are RbCa sub 2 Nb sub 3 O sub 1 sub 0 , has been investigated by Raman spectroscopy. The Raman spectra of Rb sub 2 sub - sub x La sub 2 Ti sub 3 sub - sub x Nb sub x O sub 1 sub 0 (0.0<=x<=1.0) gave an evidence that niobium atoms substituted for titanium atoms preferably occupy the highly distorted outer octahedral sites rather than the central ones in triple-octahedral perovskite layers. In contrast, the Raman spectra of RbLa sub 2 sub - sub x Ca sub x Ti sub 2 sub - sub x Nb sub 1 sub + sub x O sub 1 sub 0 (0.0<=x<= 2.0) showed no clear information for the cationic arrangement in perovskite slabs. This difference indicated that a site preference of niobium atoms is observed onl...

  1. Photo-degradation of basic green 1 and basic red 46 dyes in their binary solution by La2O3-Al2O3nanocomposite using first-order derivative spectra and experimental design methodology

    Science.gov (United States)

    Fahimirad, Bahareh; Asghari, Alireza; Rajabi, Maryam

    2017-05-01

    In this work, the lanthanum oxide-aluminum oxide (La2O3-Al2O3) nanocomposite is introduced as an efficient photocatalyst for the photo-degradation of the dyes basic green 1 (BG1) and basic red 46 (BR46) in their binary aqueous solution under the UV light irradiation. The properties of this catalyst are determined by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), Brunauer-Emmett-Teller (BET), and UV-visible spectrophotometry. The first-order derivative spectra are used for the simultaneous analysis of the dyes in their binary solution. The screening investigations indicate that five parameters including the catalyst dosage, concentration of the dyes, irradiation time, and solution pH have significant effects on the photo-degradation of the dyes. The effects of these variables together with their interactions in the photo-degradation of the dyes are studied using the Box-Behnken design (BBD). Under the optimum experimental conditions, obtained via the desirability function, the photo-catalytic activities of La2O3-Al2O3 and pure Al2O3 are also investigated. The results obtained show an enhancement in the photo-catalytic activity when La2O3 nanoparticles are loaded on the surface of Al2O3 nanoparticles. The La2O3-Al2O3nanocomposite was synthesized as new photo-catalyst for the degradation of binary dyes. The photo-catalytic effect on the binary dyes solution was followed by the first-order derivative spectrophotometric method. Simultaneous dyes photodegradation methodology was presented by using experimental design.

  2. 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/

  3. FTIR spectra of the solid solutions (Na0.88K0.12)VO3, (Na0.5K0.5)VO3, and Na(V0.66P0.34)O3

    Science.gov (United States)

    de Waal, D.; Heyns, A. M.

    1992-03-01

    It is known that three different solid solutions, (Na0.88K0.12)VO3, (Na0.5K0.5)VO3 and Na(V0.66P0.34)O3, form in the (Na,K)(V,P)O3 system. These compounds all have monoclinic crystal structures similar to the pure alkali metal metavanadates containing small cations, e.g. Li+ and Na+ (Space group C2/c). Metavanadates with large cations like K+, Rb+, C+s and NH+4 form orthorhombic crystals, space group Pbcm. All those are structurally related to the silicate pyroxenes. Na(V0.66P0.34)O3 and (Na0.88K0.12)VO3 have the same modified diopside structure as (alpha) - NaVO3 while (Na0.5K0.5)VO3 adopts the true diopside structure. The infrared spectra of the three solid solutions are reported here in comparison with those of (alpha) -NaVO3 and KVO3. The results are also correlated with those obtained in two independent high pressure Raman studies of NH4VO3 and RbVO3 as the introduction of a larger cation like K+ should increase the pressure in the structure.

  4. Investigation of thermochemical conversions of coal pitches using high resolution PMR and IR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kekin, N.A.; Belkina, T.V.; Stepanenko, M.A.; Gordienko, V.G.

    1982-01-01

    The hydrogen bonds in organic compounds present in coal pitch and fractions were investigated by infrared spectroscopy and proton magnetic resonance. The investigation was extended to include pitch that was thermally treated at 360 degrees C to raise the softening point to 85-90 degrees C. The infrared spectra revealed hydrogen present in OH groups, NH groups, COOH groups, unsaturated carbon double bonds, and multiple carbon double bonds. It was also determined that thermal treating increased the hydrogen present in aromatic compounds and decreased hydrogen present in aliphatic forms. (JMT)

  5. Raman spectra studies of dipeptides

    International Nuclear Information System (INIS)

    Blanchard, Simone.

    1977-10-01

    This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

  6. On two-spectra inverse problems

    OpenAIRE

    Guliyev, Namig J.

    2018-01-01

    We consider a two-spectra inverse problem for the one-dimensional Schr\\"{o}dinger equation with boundary conditions containing rational Herglotz--Nevanlinna functions of the eigenvalue parameter and provide a complete solution of this problem.

  7. Formation of an Ion-Pair Molecule with a Single NH+...Cl- Hydrogen Bond: Raman spectra of 1,1,3,3-Tetramethylguanidinium chloride in the solid state, in solution and in the vapor phase

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Riisager, Anders; Fehrmann, Rasmus

    2008-01-01

    Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry of this compo......Some ionic compounds (salts) form liquids when heated to temperatures in the range of 200-300 °C. They may be referred to as moderate temperature ionic liquids. An example of such a compound is the 1,1,3,3- tetramethylguanidinium chloride, [TMGH]Cl, melting at ∼212 °C. The chemistry...... and the dimeric chloride ion-pair salt converged to give geometries near the established crystal structure of [TMGH]Cl. The structures and their binding energies are given as well as calculated vibrational harmonic normal modes (IR and Raman band wavenumbers and intensities). Experimentally obtained Raman...... scattering spectra are presented and assigned, by comparing to the quantum mechanical calculations. It is concluded that dimeric molecular ion pairs with four N-H+ · · · Cl- hydrogen bonds probably exist in the solutions and are responsible for the relatively high solubility of the “salt” in ethanol...

  8. Development of the loss coefficient correlation for cross flow between graphite fuel blocks in the core of prismatic very high temperature reactor-PMR200

    International Nuclear Information System (INIS)

    Lee, Jeong-Hun; Cho, Hyoung-Kyu; Park, Goon-Cherl

    2016-01-01

    Highlights: • Cross flow experimental data are produced with wedge-shaped and parallel gaps. • The results of a CFD analysis and experimental data are in good agreement. • Pressure loss coefficient for the cross gap between fuel blocks in PMR200 is found. • A new correlation of the cross flow loss coefficient for PMR200 is proposed. - Abstract: The core of the very high temperature reactor (VHTR) PMR200 (a prismatic modular reactor rated at 200 MW of thermal power) consists of hexagonal prismatic fuel blocks and reflector blocks made of graphite. If the core bypass flow ratio increases, the coolant channel flow is decreased and can then lower the heat removal efficiency, resulting in a locally increased fuel block temperature. The coolant channels in the fuel blocks are connected to bypass gaps by the cross gap, complicating flow distribution in the VHTR core. Therefore, reliable estimation of the bypass flow is highly important for the design and safety analysis of the VHTR core. Because of the complexity of the core geometry and gap configuration, it is challenging to predict the flow distribution in the VHTR core. To analyze this flow distribution accurately, it is necessary to determine the cross flow phenomena, and the loss coefficient across the cross gap has to be evaluated to determine the flow distribution in the VHTR core when a lumped parameter code or a flow network analysis code that uses the correlation of the loss coefficient is employed. The purpose of this paper is to develop a loss coefficient correlation applicable to the cross gap in the PMR200 core. The cross flow was evaluated experimentally using the difference between the measured inlet and outlet mass flow rates. Next, the applicability of a commercial computational fluid dynamics (CFD) code, CFX 15, was confirmed by comparing the experimental data and CFD analysis results. To understand the cross flow phenomena, the loss coefficient was evaluated; in the high Reynolds number region

  9. Development of the loss coefficient correlation for cross flow between graphite fuel blocks in the core of prismatic very high temperature reactor-PMR200

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jeong-Hun, E-mail: huny12@snu.ac.kr; Cho, Hyoung-Kyu, E-mail: chohk@snu.ac.kr; Park, Goon-Cherl, E-mail: parkgc@snu.ac.kr

    2016-10-15

    Highlights: • Cross flow experimental data are produced with wedge-shaped and parallel gaps. • The results of a CFD analysis and experimental data are in good agreement. • Pressure loss coefficient for the cross gap between fuel blocks in PMR200 is found. • A new correlation of the cross flow loss coefficient for PMR200 is proposed. - Abstract: The core of the very high temperature reactor (VHTR) PMR200 (a prismatic modular reactor rated at 200 MW of thermal power) consists of hexagonal prismatic fuel blocks and reflector blocks made of graphite. If the core bypass flow ratio increases, the coolant channel flow is decreased and can then lower the heat removal efficiency, resulting in a locally increased fuel block temperature. The coolant channels in the fuel blocks are connected to bypass gaps by the cross gap, complicating flow distribution in the VHTR core. Therefore, reliable estimation of the bypass flow is highly important for the design and safety analysis of the VHTR core. Because of the complexity of the core geometry and gap configuration, it is challenging to predict the flow distribution in the VHTR core. To analyze this flow distribution accurately, it is necessary to determine the cross flow phenomena, and the loss coefficient across the cross gap has to be evaluated to determine the flow distribution in the VHTR core when a lumped parameter code or a flow network analysis code that uses the correlation of the loss coefficient is employed. The purpose of this paper is to develop a loss coefficient correlation applicable to the cross gap in the PMR200 core. The cross flow was evaluated experimentally using the difference between the measured inlet and outlet mass flow rates. Next, the applicability of a commercial computational fluid dynamics (CFD) code, CFX 15, was confirmed by comparing the experimental data and CFD analysis results. To understand the cross flow phenomena, the loss coefficient was evaluated; in the high Reynolds number region

  10. Bypass Flow and Hot Spot Analysis for PMR200 Block-Core Design with Core Restraint Mechanism

    International Nuclear Information System (INIS)

    Lim, Hong Sik; Kim, Min Hwan

    2009-01-01

    The accurate prediction of local hot spot during normal operation is important to ensure core thermal margin in a very high temperature gas-cooled reactor because of production of its high temperature output. The active cooling of the reactor core determining local hot spot is strongly affected by core bypass flows through the inter-column gaps between graphite blocks and the cross gaps between two stacked fuel blocks. The bypass gap sizes vary during core life cycle by the thermal expansion at the elevated temperature and the shrinkage/swelling by fast neutron irradiation. This study is to investigate the impacts of the variation of bypass gaps during core life cycle as well as core restraint mechanism on the amount of bypass flow and thus maximum fuel temperature. The core thermo fluid analysis is performed using the GAMMA+ code for the PMR200 block-core design. For the analysis not only are some modeling features, developed for solid conduction and bypass flow, are implemented into the GAMMA+ code but also non-uniform bypass gap distribution taken from a tool calculating the thermal expansion and the shrinkage/swell of graphite during core life cycle under the design options with and without core restraint mechanism is used

  11. Beta spectra. II-Positron spectra

    International Nuclear Information System (INIS)

    Grau, A.; Garcia-Torano, E.

    1981-01-01

    Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

  12. Determination of hydration numbers of electrolytes from temperature dependence of PMR chemical shifts

    International Nuclear Information System (INIS)

    Subramanian, N.

    1979-01-01

    The method proposed by Malinowski et al. for the determination of effective hydration numbers (h) of electrolytes leads to a consistent incrrease in the observed values of 'h' with increase in solution concentration. An attempt is made to rationalize the experimental results by cosidering the simultaneous effects of temperature and concentration on the proton chemical shift. It is suggested that Malinowski's technique might yeld 'h' values very close to the true value for those ions for which there is a fortuitous cancellation of structure-making and structure-breaking properties. (Author) [pt

  13. The structure of BPS spectra

    Science.gov (United States)

    Longhi, Pietro

    In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

  14. 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)

  15. The PM&R Journal Implements a Social Media Strategy to Disseminate Research and Track Alternative Metrics in Physical Medicine and Rehabilitation.

    Science.gov (United States)

    Niehaus, William N; Silver, Julie K; Katz, Matthew S

    2017-12-16

    Implementation science is an evolving part of translating evidence into clinical practice and public health policy. This report describes how a social media strategy for the journal PM&R using metrics, including alternative metrics, contributes to the dissemination of research and other information in the field of physical medicine and rehabilitation. The primary goal of the strategy was to disseminate information about rehabilitation medicine, including but not limited to new research published in the journal, to health care professionals. Several different types of metrics were studied, including alternative metrics that are increasingly being used to demonstrate impact in academic medicine. A secondary goal was to encourage diversity and inclusion of the physiatric workforce-enhancing the reputations of all physiatrists by highlighting their research, lectures, awards, and other accomplishments with attention to those who may be underrepresented. A third goal was to educate the public so that they are more aware of the field and how to access care. This report describes the early results following initiation of PM&R's coordinated social media strategy. Through a network of social media efforts that are strategically integrated, physiatrists and their associated institutions have an opportunity to advance their research and clinical agendas, support the diverse physiatric workforce, and educate the public about the field to enhance patient awareness and access to care. Copyright © 2018 American Academy of Physical Medicine and Rehabilitation. Published by Elsevier Inc. All rights reserved.

  16. 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

  17. 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.)

  18. Time-dependent density functional theory/discrete reaction field spectra of open shell systems : The visual spectrum of [Fe-III(PyPepS)(2)](-) in aqueous solution

    NARCIS (Netherlands)

    van Duijnen, Piet Th.; Greene, Shannon N.; Richards, Nigel G. J.

    2007-01-01

    We report the calculated visible spectrum of [Fe-III(PyPepS)(2)](-) in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and

  19. 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.

  20. 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)

  1. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. 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.

  2. 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 ...

  3. 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

  4. 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.

  5. Time-dependent density functional theory/discrete reaction field spectra of open shell systems: The visual spectrum of [FeIII(PyPepS)2]- in aqueous solution.

    Science.gov (United States)

    van Duijnen, Piet Th; Greene, Shannon N; Richards, Nigel G J

    2007-07-28

    We report the calculated visible spectrum of [FeIII(PyPepS)2]- in aqueous solution. From all-classical molecular dynamics simulations on the solute and 200 water molecules with a polarizable force field, 25 solute/solvent configurations were chosen at random from a 50 ps production run and subjected the systems to calculations using time-dependent density functional theory (TD-DFT) for the solute, combined with a solvation model in which the water molecules carry charges and polarizabilities. In each calculation the first 60 excited states were collected in order to span the experimental spectrum. Since the solute has a doublet ground state several excitations to states are of type "three electrons in three orbitals," each of which gives rise to a manifold of a quartet and two doublet states which cannot properly be represented by single Slater determinants. We applied a tentative scheme to analyze this type of spin contamination in terms of Delta and Delta transitions between the same orbital pairs. Assuming the associated states as pure single determinants obtained from restricted calculations, we construct conformation state functions (CFSs), i.e., eigenfunctions of the Hamiltonian Sz and S2, for the two doublets and the quartet for each Delta,Delta pair, the necessary parameters coming from regular and spin-flip calculations. It appears that the lower final states remain where they were originally calculated, while the higher states move up by some tenths of an eV. In this case filtering out these higher states gives a spectrum that compares very well with experiment, but nevertheless we suggest investigating a possible (re)formulation of TD-DFT in terms of CFSs rather than determinants.

  6. 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

  7. Deconvoluting double Doppler spectra

    International Nuclear Information System (INIS)

    Ho, K.F.; Beling, C.D.; Fung, S.; Chan, K.L.; Tang, H.W.

    2001-01-01

    The successful deconvolution of data from double Doppler broadening of annihilation radiation (D-DBAR) spectroscopy is a promising area of endeavour aimed at producing momentum distributions of a quality comparable to those of the angular correlation technique. The deconvolution procedure we test in the present study is the constrained generalized least square method. Trials with computer simulated DDBAR spectra are generated and deconvoluted in order to find the best form of regularizer and the regularization parameter. For these trials the Neumann (reflective) boundary condition is used to give a single matrix operation in Fourier space. Experimental D-DBAR spectra are also subject to the same type of deconvolution after having carried out a background subtraction and using a symmetrize resolution function obtained from an 85 Sr source with wide coincidence windows. (orig.)

  8. Spectra, Winter 2014

    Science.gov (United States)

    2014-01-01

    additional copies or more information, please email spectra@nrl.navy.mil. LEADINGEDGE 1 Contents 30 Navy Launches UAV from Submerged Submarine 31... multitasking have become mainstream concerns. For example, the New York Times in 2005 and Time magazine in 2006 both reported stories about...interruptions and multitasking , and how they affect performance by increasing human er- ror. In 2005, the information technol- ogy research firm Basex

  9. 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).

  10. Auger spectra of alkanes

    International Nuclear Information System (INIS)

    Rye, R.R.; Jennison, D.R.; Houston, J.E.

    1980-01-01

    The gas-phase Auger line shapes of the linear alkanes C 1 through C 6 and of neopentane are presented and analyzed. The general shape of the spectra are characteristic of carbon in a tetrahedral environment with the major feature in all cases occurring at approx.249 eV. The relatively large spectral changes found between methane and ethane results from the direct interaction of the terminal methyl groups in ethane, and the spectra of the higher alkanes are shown to be a composite of contributions from terminal methyl and interior methylene group carbon atoms. Theoretical analysis based on a one-electron approximation is shown to be capable of making a molecular orbital assignment by comparing calculated vertical transitions to features in the Auger spectra of ethane and propane, and, in the case of ethane, of differentiating between the 2 E/sub g/ and 2 A/sub 1g/ assignment of the ground state of (C 2 H 6 ) + . A one-electron based molecular orbital treatment, however, is shown to partially break down in propane and neopentane. Analysis of neopentane and the observed absence of any noticeable major peak energy shift with increasing molecular size (as predicted by the one-electron treatment) suggests that some Auger final states occur in which both valence holes are localized on the same subunit of the molecule

  11. 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)

  12. 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

  13. 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

  14. Vibrational spectra of aminoacetonitrile

    International Nuclear Information System (INIS)

    Bak, B.; Hansen, E.L.; Nicolaisen, F.M.; Nielsen, O.F.

    1975-01-01

    The preparation of pure, stable aminoacetonitrile(1-amino, 1'-cyanomethane)CH 2 NH 2 CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50-3600 cm -1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH 2 NHDCN (2) and CH 2 ND 2 CN (3). The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur. (author)

  15. Dielectric spectra of proteins in conducting media

    International Nuclear Information System (INIS)

    Ruderman, G.; Xammar Oro, J.R. de

    1990-10-01

    Dielectric measurements of serum albumin and myoglobin in solutions of varying conductivities were performed. The results presented confirm that also for protein solutions, the Maxwell predictions of a threshold frequency in conducting materials holds. The threshold frequency of a serum albumin solution was experimentally determined. Attention should be recalled that, if the dielectric spectra of proteins solutions want to be measured, three distinct frequency regions are to be observed: a low frequency region, where the sample behaves like a conductor; an intermediate region centered around the threshold frequency, where the free charges partially screen the fixed ones; and a high frequency region where the sample behaves like a good dielectric. (author). 8 refs, 5 figs

  16. Automated element identification for EDS spectra evaluation using quantification and integrated spectra simulation approaches

    International Nuclear Information System (INIS)

    Eggert, F

    2010-01-01

    This work describes first real automated solution for qualitative evaluation of EDS spectra in X-ray microanalysis. It uses a combination of integrated standardless quantitative evaluation, computation of analytical errors to a final uncertainty, and parts of recently developed simulation approaches. Multiple spectra reconstruction assessments and peak searches of the residual spectrum are powerful enough to solve the qualitative analytical question automatically for totally unknown specimens. The integrated quantitative assessment is useful to improve the confidence of the qualitative analysis. Therefore, the qualitative element analysis becomes a part of integrated quantitative spectrum evaluation, where the quantitative results are used to iteratively refine element decisions, spectrum deconvolution, and simulation steps.

  17. Catalogue of neutron spectra

    International Nuclear Information System (INIS)

    Buxerolle, M.; Massoutie, M.; Kurdjian, J.

    1987-09-01

    Neutron dosimetry problems have arisen as a result of developments in the applications of nuclear energy. The largest number of possible irradiation situations has been collected: they are presented in the form of a compilation of 44 neutron spectra. Diagrams show the variations of energy fluence and energy fluence weighted by the dose equivalent/fluence conversion factor, with the logarithm of the corresponding energy. The equivalent dose distributions are presented as percentages for the following energy bins: 0.01 eV/0.5 eV/50 keV/1 MeV/5 MeV/15 MeV. The dose equivalent, the mean energy and the effective energy for the dose equivalent for 1 neutron cm -2 are also given [fr

  18. Excited-state kinetics of the carotenoid S//1 state in LHC II and two-photon excitation spectra of lutein and beta-carotene in solution Efficient Car S//1 yields Chl electronic energy transfer via hot S//1 states?

    CERN Document Server

    Walla, P J; Linden, Patricia A; Ohta, Kaoru

    2002-01-01

    The excited-state dynamics of the carotenoids (Car) in light- harvesting complex II (LHC II) of Chlamydomonas reinhardtii were studied by transient absorption measurements. The decay of the Car S //1 population ranges from similar to 200 fs to over 7 ps, depending on the excitation and detection wavelengths. In contrast, a 200 fs Car S//1 yields Chlorophyll (Chl) energy transfer component was the dominant time constant for our earlier two-photon fluorescence up- conversion measurements (Walla, P.J. ; et al. J. Phys. Chem. B 2000, 104, 4799-4806). We also present the two-photon excitation (TPE) spectra of lutein and beta-carotene in solution and compare them with the TPE spectrum of LHC II. The TPE-spectrum of LHC II has an onset much further to the blue and a width that is narrower than expected from comparison to the S//1 fluorescence of lutein and beta-carotene in solution. Different environments may affect the shape of the S//1 spectrum significantly. To explain the blue shift of the TPE spectrum and the d...

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

    Science.gov (United States)

    2016-03-31

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

  20. 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...

  1. Spectra of chemical trees

    International Nuclear Information System (INIS)

    Balasubramanian, K.

    1982-01-01

    A method is developed for obtaining the spectra of trees of NMR and chemical interests. The characteristic polynomials of branched trees can be obtained in terms of the characteristic polynomials of unbranched trees and branches by pruning the tree at the joints. The unbranched trees can also be broken down further until a tree containing just two vertices is obtained. The effectively reduces the order of the secular determinant of the tree used at the beginning to determinants of orders atmost equal to the number of vertices in the branch containing the largest number of vertices. An illustrative example of a NMR graph is given for which the 22 x 22 secular determinant is reduced to determinants of orders atmost 4 x 4 in just the second step of the algorithm. The tree pruning algorithm can be applied even to trees with no symmetry elements and such a factoring can be achieved. Methods developed here can be elegantly used to find if two trees are cospectral and to construct cospectral trees

  2. 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.

  3. Sequencing BPS spectra

    International Nuclear Information System (INIS)

    Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

    2016-01-01

    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.

  4. Bench mark spectra for high-energy neutron dosimetry

    International Nuclear Information System (INIS)

    Dierckx, R.

    1986-01-01

    To monitor radiation damage experiments, activation detectors are commonly used. The precision of the results obtained by the multiple foil analysis is largely increased by the intercalibration in bench-mark spectra. This technique is already used in dosimetry measurements for fission reactors. To produce neutron spectra similar to fusion reactor and high-energy high-intensity neutron sources (d-Li or spallation), accelerators can be used. Some possible solutions as p-Be and d-D 2 O neutron sources, useful as bench-mark spectra are described. (author)

  5. Gold and Silver Extraction from Leach Solutions

    OpenAIRE

    Bagdaulet K. Kenzhaliyev; Renata R. Iskhakova; Zamzagul D. Dosymbaeva; Esen N. Sulejmenov

    2014-01-01

    There has been carried out an investigation on the extraction of gold and silver from thiosulfate solutions: standard test and technological solutions of chemical and electrochemical leaching. The influence of related metals on the process of extracting gold from solution was studied. There has been conducted a comparative study of the IR spectra of solutions after the sorption of gold, silver and related metals.

  6. Luminescence spectra and kinetics of disordered solid solutions

    DEFF Research Database (Denmark)

    Klochikhin, A.; Reznitsky, A.; Permogorov, S.

    1999-01-01

    only a relatively small group of ''radiative" states forms the steady-state luminescence band. The continuum percolation theory is applied to distinguish the ''radiative'' localized states, which are isolated in space and have no ways for nonradiative transitions along the tail states. It is found...... in the wells of random potential induced by disorder. Classification of optically active tail states of the main exciton band into two groups is proposed. The majority of the states responsible for the optical absorption corresponds to the group of extended states belonging to the percolation cluster, whereas...

  7. 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.

  8. FSFE: Fake Spectra Flux Extractor

    Science.gov (United States)

    Bird, Simeon

    2017-10-01

    The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

  9. 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.

  10. 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...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... 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...

  11. Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

    Energy Technology Data Exchange (ETDEWEB)

    Abbate, Sergio, E-mail: abbate@med.unibs.it [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Longhi, Giovanna; Lebon, France [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Tommasini, Matteo [Dipartimento di Chimica, Materiali e Ingegneria Chimica ' G. Natta' , Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Consorzio Interuniversitario per la Scienza e Tecnologia dei Materiali (INSTM), Unita di Ricerca del Politecnico di Milano (Dip. CMIC), Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2012-09-11

    Highlights: Black-Right-Pointing-Pointer ECD and VCD Spectra of (R)-(-)-apomorphine measured in various solvents. Black-Right-Pointing-Pointer DFT calculations allow to study the protonation state and conformations. Black-Right-Pointing-Pointer Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  12. Multifractal spectra in shear flows

    Science.gov (United States)

    Keefe, L. R.; Deane, Anil E.

    1989-01-01

    Numerical simulations of three-dimensional homogeneous shear flow and fully developed channel flow, are used to calculate the associated multifractal spectra of the energy dissipation field. Only weak parameterization of the results with the nondimensional shear is found, and this only if the flow has reached its asymptotic development state. Multifractal spectra of these flows coincide with those from experiments only at the range alpha less than 1.

  13. 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.

  14. 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)

  15. Dante-unfolding code for energy spectra evaluation

    International Nuclear Information System (INIS)

    Petilli, M.

    1979-01-01

    The code DANTE, using the last square method in unfolding for dosimetry purpose, solves the neutron spectra evaluation problem starting by activity measurements. The code DANTE introduced for the first time the correlation between available data by mean of flux and activity variance-covariance matrices and the error propagation. In the present report the solution method is detailed described

  16. Biological Action Spectra (invited paper)

    International Nuclear Information System (INIS)

    Gruijl, F.R. de

    2000-01-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  17. 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...

  18. QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

    2012-09-10

    We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

  19. 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

  20. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua; Gong Jian; Liu Xiaoya

    2006-01-01

    In the investigation of radiation fingerprint comparison, it is found out that some of the popular gamma spectra analysis software have shortcomings, which decrease the radiation fingerprint comparison precision. So a new analysis software is developed for solving the problems. In order to display the advantage of developed program, some typical simulative warhead gamma spectra are analyzed respectively by present software and GAMMAVISION and GENNIE2000. Present software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  1. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Adams, S.; Seaton, M.J.

    1982-01-01

    Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

  2. Investigation of gamma spectra analysis

    International Nuclear Information System (INIS)

    Wu Huailong; Liu Suping; Hao Fanhua

    2006-12-01

    During the investigation of radiation fingerprint comparison, it is found out that the popular gamma spectra analysis softwares are faultful, which decrease the precision of radiation fingerprint comparison. So a new analysis software is development for solving the problems. In order to display the advantage of new program, some typical simulative gamma spectra of radiation source are analyzed respectively by our software and GAMMAVISION and GENNIE2000. The software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

  3. Determination of the low energy spectra in the superstring theory

    International Nuclear Information System (INIS)

    Rausch de Traubenberg, M.

    1990-01-01

    There is one solution to the superstring theory in 10 dimensions (SO(32) ou E8xE8) but in a 4-dimensions space, there are plenty of solutions, so a classification is necessary. The author has used a formulation named fermionic, where the solution is easy to build and he has developed a program in terms of formal calculation (REDUCE). In a first time, this program verifies the constraints induced by the modular invariance and then reproduces the low energy spectra

  4. Determination of crystal oscillatory spectra by internal friction data spectroscopic analysis

    International Nuclear Information System (INIS)

    Zaykin, Yu.A.

    1998-01-01

    Technique for relaxation spectra determination on the basis of internal friction averaging over relaxation frequencies is developed. It is shown that mathematically the problem is reduced to solution of the first type Fredholm integral equation. Impurity oscillatory spectra in alpha-iron, molybdenum and Fe-Cr-Ni alloy are obtained. (author)

  5. Boson spectra and correlations for thermal locally equilibrium systems

    International Nuclear Information System (INIS)

    Sinyukov, Y.M.

    1999-01-01

    The single- and multi-particle inclusive spectra for strongly inhomogeneous thermal boson systems are studied using the method of statistical operator. The thermal Wick's theorem is generalized and the analytical solution of the problem for a boost-invariant expanding boson gas is found. The results demonstrate the effects of inhomogeneity for such a system: the spectra and correlations for particles with wavelengths larger than the system's homogeneity lengths change essentially as compared with the results based on the local Bose-Einstein thermal distributions. The effects noticeably grow for overpopulated media, where the chemical potential associated with violation of chemical equilibrium is large enough. (author)

  6. 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.

  7. Origin of poor doping efficiency in solution processed organic semiconductors† †Electronic supplementary information (ESI) available: Additional details on sample characterization, quantum chemistry calculations to obtain transition dipole moments of the ions and determine the strength of the Coulomb interaction, two-dimensional correlation analysis has been provided. In addition, this document also contains details of the calculations used to simulate 2D electronic spectra. See DOI: 10.1039/c8sc00758f

    Science.gov (United States)

    Jha, Ajay; Duan, Hong-Guang; Tiwari, Vandana; Thorwart, Michael

    2018-01-01

    Doping is an extremely important process where intentional insertion of impurities in semiconductors controls their electronic properties. In organic semiconductors, one of the convenient, but inefficient, ways of doping is the spin casting of a precursor mixture of components in solution, followed by solvent evaporation. Active control over this process holds the key to significant improvements over current poor doping efficiencies. Yet, an optimized control can only come from a detailed understanding of electronic interactions responsible for the low doping efficiencies. Here, we use two-dimensional nonlinear optical spectroscopy to examine these interactions in the course of the doping process by probing the solution mixture of doped organic semiconductors. A dopant accepts an electron from the semiconductor and the two ions form a duplex of interacting charges known as ion-pair complexes. Well-resolved off-diagonal peaks in the two-dimensional spectra clearly demonstrate the electronic connectivity among the ions in solution. This electronic interaction represents a well resolved electrostatically bound state, as opposed to a random distribution of ions. We developed a theoretical model to recover the experimental data, which reveals an unexpectedly strong electronic coupling of ∼250 cm–1 with an intermolecular distance of ∼4.5 Å between ions in solution, which is approximately the expected distance in processed films. The fact that this relationship persists from solution to the processed film gives direct evidence that Coulomb interactions are retained from the precursor solution to the processed films. This memory effect renders the charge carriers equally bound also in the film and, hence, results in poor doping efficiencies. This new insight will help pave the way towards rational tailoring of the electronic interactions to improve doping efficiencies in processed organic semiconductor thin films. PMID:29896388

  8. 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.

  9. Vibrational spectra of ordered perovskites

    NARCIS (Netherlands)

    Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

    1972-01-01

    The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

  10. Raman spectra of graphene ribbons

    International Nuclear Information System (INIS)

    Saito, R; Furukawa, M; Dresselhaus, G; Dresselhaus, M S

    2010-01-01

    Raman spectra of graphene nanoribbons with zigzag and armchair edges are calculated within non-resonant Raman theory. Depending on the edge structure and polarization direction of the incident and scattered photon beam relative to the edge direction, a symmetry selection rule for the phonon type appears. These Raman selection rules will be useful for the identification of the edge structure of graphene nanoribbons.

  11. 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.

  12. Skyshine spectra of gamma rays

    International Nuclear Information System (INIS)

    Swarup, Janardan

    1980-01-01

    A study of the spectra of gamma photons back-scattered in vertical direction by infinite air above ground (skyshine) is presented. The source for these measurements is a 650 Ci Cobalt-60 point-source and the skyshine spectra are reported for distances from 150 m to 325 m from the source, measured with a 5 cm x 5 cm NaI(Tl) detector collimated with collimators of 12 mm and 20 mm diameter and 5 cm length. These continuous spectra are unfolded with Gold's iterative technique. The photon-spectra so obtained have a distinct line at 72 keV due to multiply-scattered photons. This is an energy where photoelectric and Compton cross-sections for multiply-scattered photons balance each other. The intensity of the line(I) decreases exponentially with distance (d) from the source obeying a relation of the type I = Isub(o)esup(-μd) where μ is called as ''Multiply-Scatter Coefficient'', a constant of the medium which is air in these measurements. This relationship is explained in terms of a halo around the source comprising of multiply-scattered gamma photons, Isub(0) being the intensity of these scattered photons at the location of cobalt-source. A fraction called as ''Back-scattered Fraction'', the ratio of Isub(0) to the number of original photons from the cobalt-source entering the infinite air, is also calculated. It is shown that with a properly calibrated detector system, this fraction can be used to determine the strength of a large gamma source, viz. a nuclear explosion in air, and for mineral prospecting. These conclusions are general and can be applied to any other infinite medium. Some forward-scatter (transmission) spectra of cobalt-60 source through 10 cm of Pb and 2.5 cm of Al are also reported. (auth.)

  13. Electronic spectra and structures of some biologically important xanthines

    Science.gov (United States)

    Shukla, M. K.; Mishra, P. C.

    1994-08-01

    Electronic absorption and fluorescence spectra of aqueous solutions of xanthine, caffeine, theophylline and theobromine have been studied at different pH. The observed spectra have been interpreted in terms of neutral and ionic forms of the molecules with the help of molecular orbital calculations. At neutral and acidic pH, the spectra can be assigned to the corresponding most stable neutral forms, with the exception that the fluorescence of xanthine at acidic pH appears to originate from the lowest singlet excited state of a cation of the molecule. At alkaline pH, xanthine and theophylline exist mainly as their monoanions. In xanthine and theophylline at alkaline pH, fluorescence originates from the lowest singlet excited state of the corresponding anion. However, in caffeine and theobromine, even at alkaline pH, fluorescence belongs to the neutral species. On the whole, the properties of xanthine are quite different from those of the methyl xanthines.

  14. Vacuum ultraviolet (VUV) absorption spectra of chromatin and its components

    International Nuclear Information System (INIS)

    Dodonova, N.Y.; Kiseleva, M.N.; Petrov, M.Y.; Tsyganenko, N.M.; Bubyakina, V.V.; Chikhirzhina, G.I.

    1984-01-01

    The electron absorption spectra of thin films of chromatin and chromatin components in the ultraviolet region (140-280 nm) were investigated. The absorption coefficients μ(lambda) of chromatin, nucleosomes with and without histone H1, total histones (TH), and DNA were compared. The spectra of nucleosomes differ from the sum-spectrum of DNA plus TH. The chromatin and nucleosome spectra are not similar in the spectral region of 190-160 nm. The lack of additivity of absorption coefficients at different wavelengths may be explained by different conformational changes of DNA, TH in nucleosomes and chromatin during the process of drying aqueous solutions for the preparation of thin films. The μ(lambda) values are useful for an estimate of the DNA and TH absorption in chromatin and nucleosomes in discussing UV and VUV irradiation damages. (Auth.)

  15. Superstrings fermionic solutions

    International Nuclear Information System (INIS)

    Rausch de Traubenberg, M.

    1990-06-01

    The solutions proposed by the superstring theory are classified and compared. In order to obtain some of the equivalences, the demonstration is based on the coincidence of the excitation spectrum and the quantum numbers from different states. The fermionic representation of the heterotical strings is discussed. The conformal invariance and the supersymmetric results extended to two dimensions are investigated. Concerning the fermionic strings, the formalism and a phenomenological solution involving three families of quarks, chiral leptons and leptons from the E 6 gauge group are presented. The equivalence between real and complex fermions is discussed. The similarity between some of the solutions of the Wess-Zumino-Witten model and the orbifolds is considered. The formal calculation program developed for reproducing the theory's low energy spectra, in the fermionic string formalism is given [fr

  16. ACCELERATED FITTING OF STELLAR SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Ting, Yuan-Sen; Conroy, Charlie [Harvard–Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Rix, Hans-Walter [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

    2016-07-20

    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.

  17. 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)

  18. Biological Action Spectra (invited paper)

    Energy Technology Data Exchange (ETDEWEB)

    Gruijl, F.R. de

    2000-07-01

    Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

  19. Gold and Silver Extraction from Leach Solutions

    Directory of Open Access Journals (Sweden)

    Bagdaulet K. Kenzhaliyev

    2014-03-01

    Full Text Available There has been carried out an investigation on the extraction of gold and silver from thiosulfate solutions: standard test and technological solutions of chemical and electrochemical leaching. The influence of related metals on the process of extracting gold from solution was studied. There has been conducted a comparative study of the IR spectra of solutions after the sorption of gold, silver and related metals.

  20. Comparative Modelling of the Spectra of Cool Giants

    Science.gov (United States)

    Lebzelter, T.; Heiter, U.; Abia, C.; Eriksson, K.; Ireland, M.; Neilson, H.; Nowotny, W; Maldonado, J; Merle, T.; Peterson, R.; hide

    2012-01-01

    Our ability to extract information from the spectra of stars depends on reliable models of stellar atmospheres and appropriate techniques for spectral synthesis. Various model codes and strategies for the analysis of stellar spectra are available today. Aims. We aim to compare the results of deriving stellar parameters using different atmosphere models and different analysis strategies. The focus is set on high-resolution spectroscopy of cool giant stars. Methods. Spectra representing four cool giant stars were made available to various groups and individuals working in the area of spectral synthesis, asking them to derive stellar parameters from the data provided. The results were discussed at a workshop in Vienna in 2010. Most of the major codes currently used in the astronomical community for analyses of stellar spectra were included in this experiment. Results. We present the results from the different groups, as well as an additional experiment comparing the synthetic spectra produced by various codes for a given set of stellar parameters. Similarities and differences of the results are discussed. Conclusions. Several valid approaches to analyze a given spectrum of a star result in quite a wide range of solutions. The main causes for the differences in parameters derived by different groups seem to lie in the physical input data and in the details of the analysis method. This clearly shows how far from a definitive abundance analysis we still are.

  1. JADSPE, Multi-Channel Gamma Spectra Unfolding Program

    International Nuclear Information System (INIS)

    Rikovska, J.; Stejskalova, E.

    2005-01-01

    1 - Description of program or function: JADSPE is a package of eight programs to process multi-channel gamma-ray spectra. The programs can be used to: - locate automatically spectral peaks and calculate their positions, areas, and full widths at half maximum (FWHM); - plot the spectra on a CALCOMP plotter, TEKTRONIX terminal or a line printer; - add or subtract several spectra with the possibility of adjusting either their start and end channels or the maxima of the chosen corresponding peaks. The JADSPE package comprises the following programs: - SPECTF: automatic location of peaks and calculation of their positions, areas and FWHMS. The standard deviations of peak parameters are also determined, and each evaluated region is plotted on the line printer. - SPECT1: The areas and FWHMs are calculated for peaks whose positions are known beforehand. The standard deviations of calculated parameters are also determined, and each evaluated region is plotted on the line printer. - PLOCHA: The peak net area is calculated by summing the channel contents in specified regions and by subtracting a linear background. - GRAPH: Spectrum plotting on the line printer. - PLTNEW: Spectrum plotting on CALCOMP plotter or on TEKTRONIX terminal. - SUMDIF: The channel contents of several gamma-ray spectra are added or subtracted. - SSPFP: The channel contents of several gamma-ray spectra are added with adjustment of the maxima of specified peaks. - SOUCET: The channel contents of several gamma-ray spectra are added with the adjustment of start and end channels of the spectra. 2 - Method of solution: Non-linear least-square fit. 3 - Restrictions on the complexity of the problem: The full energy peaks are approximated by a symmetrical Gaussian function and the underlying background is approximated by a first-order polynomial. A fixed spectrum length of 4096 channels is assumed. Maxima of: - number of peaks in one multiplet: 9; - number of peaks identified by the automatic search procedure

  2. SLAROM, Neutron Flux Distribution and Spectra in Lattice Cell

    International Nuclear Information System (INIS)

    Nakagawa, M.; Tsuchihashi, K.

    2002-01-01

    1 - Description of program or function: SLAROM solves the neutron integral transport equations to determine flux distribution and spectra in a lattice and calculates cell averaged effective cross sections. 2 - Method of solution: Collision probability method for cell calculation and 1D diffusion for core calculation. 3 - Restrictions on the complexity of the problem: Variable dimensions are used throughout the program so that computer core requirements depend on a variety of program parameters

  3. Compendium on neutron spectra in criticality accident dosimetry

    International Nuclear Information System (INIS)

    Ing, H.

    1978-01-01

    Graphical and tabulated neutron spectra are presented: from selected critical assemblies; from critical solutions; of fission neutrons through shielding; of H 2 O-moderated fission neutrons through shielding; of D 2 O-moderated fission neutrons through shielding; of fission neutrons reflected from various materials; from the D(T, 4 He)n reaction (''14 MeV'' neutrons) through shielding and of ''14 MeV'' neutrons reflected from various materials

  4. 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

  5. Hydration of amino acids: FTIR spectra and molecular dynamics studies.

    Science.gov (United States)

    Panuszko, Aneta; Adamczak, Beata; Czub, Jacek; Gojło, Emilia; Stangret, Janusz

    2015-11-01

    The hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results, molecular dynamics simulations of amino acids were performed. The structural-energetic characteristic of these solute-affected water molecules shows that, on average, water affected by amino acids forms stronger and shorter H-bonds than those in pure water. Differences in the influence of amino acids on water structure have been noticed. The effect of the hydrophobic side chain of an amino acid on the solvent interactions seems to be enhanced because of the specific cooperative coupling of water strong H-bond chain, connecting the carboxyl and amino groups, with the clathrate-like H-bond network surrounding the hydrocarbon side chain. The parameter derived from the spectral data, which corresponds to the contributions of the population of weak hydrogen bonds of water molecules which have been substituted by the stronger ones in the hydration sphere of amino acids, correlated well with the amino acid hydrophobicity indexes.

  6. 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

  7. 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.

  8. 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

  9. Gamma-ray burst spectra

    International Nuclear Information System (INIS)

    Teegarden, B.J.

    1982-01-01

    A review of recent results in gamma-ray burst spectroscopy is given. Particular attention is paid to the recent discovery of emission and absorption features in the burst spectra. These lines represent the strongest evidence to date that gamma-ray bursts originate on or near neutron stars. Line parameters give information on the temperature, magnetic field and possibly the gravitational potential of the neutron star. The behavior of the continuum spectrum is also discussed. A remarkably good fit to nearly all bursts is obtained with a thermal-bremsstrahlung-like continuum. Significant evolution is observed of both the continuum and line features within most events

  10. 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)

  11. Uranium spectra in the ICP

    Energy Technology Data Exchange (ETDEWEB)

    Ghazi, A.A.; Qamar, S.; Atta, M.A. (Khan (A.Q.) Research Labs., Rawalpindi (Pakistan))

    1994-05-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author).

  12. Identified hadron spectra from PHOBOS

    Science.gov (United States)

    Veres, Gábor I.; the PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Harrington, A. S.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Khan, N.; Kulinich, P.; Kuo, C. M.; Lee, J. W.; Lin, W. T.; Manly, S.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Roland, C.; Roland, G.; Sagerer, J.; Sarin, P.; Sedykh, I.; Skulski, W.; Smith, C. E.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wolfs, F. L. H.; Wosiek, B.; Wozniak, K.; Wysłouch, B.; Zhang, J.

    2004-08-01

    Transverse momentum spectra of pions, kaons and protons, as well as antiparticle to particle ratios near mid-rapidity from d+Au collisions at \\sqrt{sNN} = 200 GeV have been measured by the PHOBOS experiment at RHIC. The transverse momentum range of particle identification was extended to beyond 3 GeV/c using the TOF detector and a new trigger system. The pseudorapidity dependence of the nuclear modification factor for charged hadrons in d+Au collisions is presented.

  13. Uranium spectra in the ICP

    International Nuclear Information System (INIS)

    Ghazi, A.A.; Qamar, S.; Atta, M.A.

    1994-01-01

    Uranium spectra have been studied by inductively coupled plasma atomic emission spectroscopy (ICP-AES). In total, 8361 uranium lines were observed in the wavelength range of 235-500 nm. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hard copy text is accompanied by a disk with data files and test files for an IBM-compatible computer. The main article discusses the scientific aspects of the subject and explains the purpose of the data files. (Author)

  14. 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.

  15. Plugging solution

    Energy Technology Data Exchange (ETDEWEB)

    Sharipov, A U; Yangirov, I Z

    1982-01-01

    A clay-powder, cement, and water-base plugging solution is proposed having reduced solution viscosity characteristics while maintaining tensile strength in cement stone. This solution utilizes silver graphite and its ingredients, by mass weight, are as follows: cement 51.2-54.3%; claypowder 6.06-9.1%; silver graphite 0.24-0.33%; with water making up the remainder.

  16. The absorption spectra of Pu(VI), -(V) and -(IV) produced electrochemically in carbonate-bicarbonate media

    International Nuclear Information System (INIS)

    Wester, D.W.; Sullivan, J.C.

    1983-01-01

    Absorption spectra in carbonate and bicarbonate media have been measured for various oxidation states of plutonium. The oxidation state of plutonium was adjusted electrochemically (Pu(VI)-V), Esub(f)=+0.11 V vs. SCE) to avoid contamination by redox reagents. In carbonate medium the spectra of Pu(VI) and Pu(V) showed marked differences from the spectra of the same oxidation state in acidic solutions. In bicarbonate the spectra of Pu(VI) and Pu(IV) also differed from the corresponding spectra in acidic media. Reduction to Pu(III) resulted in a precipitate in both carbonate and bicarbonate media. (author)

  17. Raman spectra of SDW superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Rout, G.C. [Condensed Matter Physics Group, Department of Physics, Government Science College, Chatrapur, Orissa 761 020 (India)]. E-mail: gcr@iopb.res.in; Bishoyi, K.C. [P.G. Department of Physics, F.M. College (Autonomous), Balasore, Orissa 756 001 (India); Behera, S.N. [Institute of Physics, Bhubaneswar 751 005 (India)

    2005-03-15

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations.

  18. Raman spectra of SDW superconductors

    International Nuclear Information System (INIS)

    Rout, G.C.; Bishoyi, K.C.; Behera, S.N.

    2005-01-01

    We report the calculation of the phonon response of the coexistent spin density wave (SDW) and superconducting (SC) state and predict the observation of SC gap in the Raman spectra of rare-earth nickel borocarbide superconductors. The SDW state normally does not couple to the lattice and hence, the phonons in the system are not expected to be affected by the SDW state. But there is a possibility of observing SC gap mode in the Raman spectra of a SDW superconductor due to the coupling of the SC gap excitation to the Raman active phonons in the system via the electron-phonon (e-p) interaction. A theoretical model is used for the coexistent phase and electron-phonon interaction. Phonon Green's function is calculated by Zubarev's technique and the phonon self-energy due to e-p interaction which is given by electron density response function in the coexistent state corresponding to the SDW wave vector q = Q is evaluated. The results so obtained exhibit agreement with the experimental observations

  19. Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra

    Science.gov (United States)

    Rueda, Ana; Hegermiller, Christie A.; Antolinez, Jose A. A.; Camus, Paula; Vitousek, Sean; Ruggiero, Peter; Barnard, Patrick L.; Erikson, Li H.; Tomás, Antonio; Mendez, Fernando J.

    2017-02-01

    Characterization of multimodal directional wave spectra is important for many offshore and coastal applications, such as marine forecasting, coastal hazard assessment, and design of offshore wave energy farms and coastal structures. However, the multivariate and multiscale nature of wave climate variability makes this complex problem tractable using computationally expensive numerical models. So far, the skill of statistical-downscaling model-based parametric (unimodal) wave conditions is limited in large ocean basins such as the Pacific. The recent availability of long-term directional spectral data from buoys and wave hindcast models allows for development of stochastic models that include multimodal sea-state parameters. This work introduces a statistical downscaling framework based on weather types to predict multimodal wave spectra (e.g., significant wave height, mean wave period, and mean wave direction from different storm systems, including sea and swells) from large-scale atmospheric pressure fields. For each weather type, variables of interest are modeled using the categorical distribution for the sea-state type, the Generalized Extreme Value (GEV) distribution for wave height and wave period, a multivariate Gaussian copula for the interdependence between variables, and a Markov chain model for the chronology of daily weather types. We apply the model to the southern California coast, where local seas and swells from both the Northern and Southern Hemispheres contribute to the multimodal wave spectrum. This work allows attribution of particular extreme multimodal wave events to specific atmospheric conditions, expanding knowledge of time-dependent, climate-driven offshore and coastal sea-state conditions that have a significant influence on local nearshore processes, coastal morphology, and flood hazards.

  20. Fluorescence of Bacteria, Pollens, and Naturally Occurring Airborne Particles: Excitation/Emission Spectra

    Science.gov (United States)

    2009-02-01

    35 Figure 29. EEM spectra of kaolin particles, dry...Warrington, PA. Glass beads were obtained from Peirce Chemical Co., Rockford, IL. Kaolin particles were obtained from Particle Information Services...solution concentration of 1 mg/ml. The samples were vortexed and pipetted vigorously to disperse aggregates. Stock bacteria solutions were diluted to a

  1. Modal spectrum analysis of piping systems under water-hammer loading: Spectra examination

    International Nuclear Information System (INIS)

    Meder, G.; Grams, J.

    1983-01-01

    In the last few years the dynamic calculation with spectra of piping systems under fluid-hammer has been developed. In comparison with the time-history solution method the spectra method has important advantages because it can calculate a bounded solution. In this bounded solution, the inevitable uncertainties of the time-dependent forces and the uncertainties in the modeling of the piping system are taken into account. The spectra also give valuable information about the frequency content of the time-dependent forces, which is important too for correct time-step selection when using the time-history-method. Using the spectra method, the dynamic calculation is divided into stages. First and most essential is the calculation of the spectra. Secondly, a form of superposition is used for combining the results from each eigenmode analysis. In this paper the first stage, calculation of the spectra due to fluid hammer loading, will be examined. An approximate method for load calculation is shown, whereby the results from a change of fluid-dynamic parameters can be quickly determined without making a full numerical analysis. When changes are made in fluiddynamic parameters, the normal result is a change of shift in the frequency content of the spectra. However, for changes in certain parameters, only the force amplitudes are changed. Both types of changes will be discussed. (orig./RW)

  2. An RGB approach to extraordinary spectra

    Science.gov (United States)

    Grusche, Sascha; Theilmann, Florian

    2015-09-01

    After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

  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. Schottky spectra and crystalline beams

    International Nuclear Information System (INIS)

    Pestrikov, D.V.

    1996-01-01

    In this paper we revise the current dependence of the Schottky noise power of a cooled proton beam previously measured at NAP-M. More careful study of experimental data indicates a linear decrease in the inverse Schottky noise power with an increase in the beam intensity (N). The root of this function determines a threshold current which occurs at N = N th ≅1.2 x 10 8 particles. The inspection of measured Schottky spectra shows that this threshold does not correspond to some collective instability of the measured harmonic of the linear beam density. The found value of N th does not depend on the longitudinal beam temperature. For the case of NAP-M lattice, the study of the spectral properties of the Schottky noise in the crystalline string predicts the current dependence of the equilibrium momentum spread of the beam, which qualitatively agrees with that, recalculated from the NAP-M data. (orig.)

  5. Fractal analysis of power spectra

    International Nuclear Information System (INIS)

    Johnston, S.

    1982-01-01

    A general argument is presented concerning the Hausdorff dimension D of the power spectrum curve for a system of N weakly-coupled oscillators. Explicit upper and lower bounds for D are derived in terms of the number N of interacting modes. The mathematical reasoning relies upon the celebrated KAM theorem concerning the perturbation of Hamiltonian systems and the finite measure of the set of destroyed tori in phase space; this set can be related to Hausdorff dimension by certain mathematical theorems. An important consequence of these results is a simple empirical test for the applicability of Hamiltonian perturbation theory in the analysis of an experimentally observed spectrum. As an illustration, the theory is applied to the interpretation of a recent numerical analysis of both the power spectrum of the Sun and certain laboratory spectra of hydrodynamic turbulence. (Auth.)

  6. Spectra processing with computer graphics

    International Nuclear Information System (INIS)

    Kruse, H.

    1979-01-01

    A program of processng gamma-ray spectra in rock analysis is described. The peak search was performed by applying a cross-correlation function. The experimental data were approximated by an analytical function represented by the sum of a polynomial and a multiple peak function. The latter is Gaussian, joined with the low-energy side by an exponential. A modified Gauss-Newton algorithm is applied for the purpose of fitting the data to the function. The processing of the values derived from a lunar sample demonstrates the effect of different choices of polynomial orders for approximating the background for various fitting intervals. Observations on applications of interactive graphics are presented. 3 figures, 1 table

  7. 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.)

  8. 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.

  9. Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

    Science.gov (United States)

    Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

    2018-05-01

    This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

  10. Simulation of prompt gamma rays spectra: calibration for pollutants determination in voluminous samples

    International Nuclear Information System (INIS)

    Khelifi, R.; Idiri, Z.; Amokrane, A.; Bode, P.

    2006-01-01

    A PGNAA facility using Am-Be source has been developed with the aim of analyzing the major composition of various elements in aqueous samples. A program of simulation for gamma rays spectra was developed to estimate the detection limits of pollutants. The background line under photo peaks of interest was simulated using experimental data. The reliability of the program was checked under real conditions with solutions containing various salt concentrations. Experimental and simulated spectra were found to be in good agreement. (author)

  11. The covariance matrix of neutron spectra used in the REAL 84 exercise

    International Nuclear Information System (INIS)

    Matzke, M.

    1986-08-01

    Covariance matrices of continuous functions are discussed. It is pointed out that the number of non-vanishing eigenvalues corresponds to the number of random variables (parameters) involved in the construction of the continuous functions. The covariance matrices used in the REAL 84 international intercomparison of unfolding methods of neutron spectra are investigated. It is shown that a small rank of these covariance matrices leads to a restriction of the possible solution spectra. (orig.) [de

  12. Multi-damping earthquake design spectra-compatible motion histories

    International Nuclear Information System (INIS)

    Choi, Dong-Ho; Lee, Sang-Hoon

    2003-01-01

    Two iterative methods of developing time histories compatible with multi-damping spectra are presented. The common method of forcing agreement among design and calculated spectral values at several frequencies and multiple damping values may give poor, even meaningless results. The two simple iterative techniques presented here use acceleration impulse functions for 'correcting' the time histories. In the first method the correction is calculated separately for each frequency and damping value and the maximum corresponding coefficient is used to correct the time history for the iteration. In the second method the solution is further improved by introducing a scale factor at each iteration. The effectiveness of the proposed techniques is illustrated by a comparison of a set of six multi-damping design spectra with spectral responses of a time history

  13. Emission spectra of dimethoxybenzenes by controlled electron impact

    International Nuclear Information System (INIS)

    Ogawa, Teiichiro; Imasaka, Totaro; Toyoda, Minoru; Tsuji, Masaharu; Ishibashi, Nobuhiko

    1975-01-01

    The emission spectra of o-, m-, and p-dimethoxybenzenes under controlled electron impact excitation (200 eV) were measured in the 220 - 450 nm region at very low pressures. The photoemissions of the excited parent species and such fragment species as H, CH, CO, and CO + were observed and assigned. The relative intensities of the photoemissions of the parent species were compared with those of the fluorescence spectra (photoexcitation) in an n-hexane solution. The excited parent species, H, and CH were concluded to be produced in one-electron processes; however, the CO + species were assumed to be produced in both one- and two-electron processes, and the relative contributions are evaluated. It was concluded that the rate of the predissociation of o-dimethoxybenzene was faster than those of the other two isomers, and the observed characteristics of o-dimethoxybenzene had something to do with this faster rate. (auth.)

  14. QCD's Partner Needed for Mass Spectra and Parton Structure Functions

    International Nuclear Information System (INIS)

    Kim, Y.S.

    2009-01-01

    as in the case of the hydrogen atom, bound-state wave functions are needed to generate hadronic spectra. For this purpose, in 1971, Feynman and his students wrote down a Lorentz-invariant harmonic oscillator equation. This differential equation has one set of solutions satisfying the Lorentz-covariant boundary condition. This covariant set generates Lorentz-invariant mass spectra with their degeneracies. Furthermore, the Lorentz-covariant wave functions allow us to calculate the valence parton distribution by Lorentz-boosting the quark-model wave function from the hadronic rest frame. However, this boosted wave function does not give an accurate parton distribution. The wave function needs QCD corrections to make a contact with the real world. Likewise, QCD needs the wave function as a starting point for calculating the parton structure function. (author)

  15. 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.

  16. 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)

  17. Energy spectra of quantum rings.

    Science.gov (United States)

    Fuhrer, A; Lüscher, S; Ihn, T; Heinzel, T; Ensslin, K; Wegscheider, W; Bichler, M

    2001-10-25

    Quantum mechanical experiments in ring geometries have long fascinated physicists. Open rings connected to leads, for example, allow the observation of the Aharonov-Bohm effect, one of the best examples of quantum mechanical phase coherence. The phase coherence of electrons travelling through a quantum dot embedded in one arm of an open ring has also been demonstrated. The energy spectra of closed rings have only recently been studied by optical spectroscopy. The prediction that they allow persistent current has been explored in various experiments. Here we report magnetotransport experiments on closed rings in the Coulomb blockade regime. Our experiments show that a microscopic understanding of energy levels, so far limited to few-electron quantum dots, can be extended to a many-electron system. A semiclassical interpretation of our results indicates that electron motion in the rings is governed by regular rather than chaotic motion, an unexplored regime in many-electron quantum dots. This opens a way to experiments where even more complex structures can be investigated at a quantum mechanical level.

  18. 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.

  19. Ultraviolet spectra of planetary nebulae

    International Nuclear Information System (INIS)

    Harrington, J.P.; Seaton, M.J.; Adams, S.; Lutz, J.H.

    1982-01-01

    A detailed study of NGC 7662 is based on UV results obtained from 15 IUE spectra and on observations of other workers at optical, IR and radio wavelengths. Improved techniques are used to extract IUE data for an extended source. Relative fluxes in the different apertures which have been used are obtained using the brightness contours of Coleman, Reay and Worswick. There is close agreement between the reddening deduced from the ratios He II (lambda 1640)/(lambda 4686) and (radio)/(Hβ) and the nebular continuum emission observed with the IUE large slots agrees closely with that predicted using absolute radio and Hβ fluxes. The fluxes in nebular emission lines observed with the small slots are smaller than expected from brightness distributions; it is concluded that, for an extended source, the small slots have aperture transmission factors of 0.85 for SWP and 0.46 for LWR. The central star is fainter than has been previously supposed (by more than two magnitudes). The blackbody He II Zanstra temperature of 113 000 K is consistent with the UV colour temperature. Previous work on colour temperatures of central stars is discussed critically. Two models are discussed. (author)

  20. 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)

  1. 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.

  2. 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...

  3. Solution preparation

    International Nuclear Information System (INIS)

    Seitz, M.G.

    1982-01-01

    Reviewed in this statement are methods of preparing solutions to be used in laboratory experiments to examine technical issues related to the safe disposal of nuclear waste from power generation. Each approach currently used to prepare solutions has advantages and any one approach may be preferred over the others in particular situations, depending upon the goals of the experimental program. These advantages are highlighted herein for three approaches to solution preparation that are currently used most in studies of nuclear waste disposal. Discussion of the disadvantages of each approach is presented to help a user select a preparation method for his particular studies. Also presented in this statement are general observations regarding solution preparation. These observations are used as examples of the types of concerns that need to be addressed regarding solution preparation. As shown by these examples, prior to experimentation or chemical analyses, laboratory techniques based on scientific knowledge of solutions can be applied to solutions, often resulting in great improvement in the usefulness of results

  4. Correcting attenuated total reflection-fourier transform infrared spectra for water vapor and carbon dioxide

    DEFF Research Database (Denmark)

    Bruun, Susanne Wrang; Kohler, Achim; Adt, Isabelle

    2006-01-01

    an absorption band from either water vapor or CO(2). From two calibration data sets, gas model spectra were estimated in each of the four spectral regions, and these model spectra were applied for correction of gas absorptions in two independent test sets (spectra of aqueous solutions and a yeast biofilm (C...... of the growing yeast biofilm, the gas correction revealed otherwise hidden variations of relevance for modeling the growth dynamics. As the presented method improved the interpretation of the principle component analysis (PCA) models, it has proven to be a valuable tool for filtering atmospheric variation in ATR...

  5. Generation of synthetic time histories compatible with multiple-damping design response spectra

    International Nuclear Information System (INIS)

    Lilhanand, K.; Tseng, W.S.

    1987-01-01

    Seismic design of nuclear power plants as currently practiced requires time history analyses be performed to generate floor response spectra for seismic qualification of piping, equipment, and components. Since design response spectra are normally prescribed in the form of smooth spectra, the generation of synthetic time histories whose response spectra closely match the ''target'' design spectra of multiple damping values, is often required for the seismic time history analysis purpose. Various methods of generation of synthetic time histories compatible with target response spectra have been proposed in the literature. Since the mathematical problem of determining a time history from a given set of response spectral values is not unique, an exact solution is not possible, and all the proposed methods resort to some forms of approximate solutions. In this paper, a new iteration scheme, is described which effectively removes the difficulties encountered by the existing methods. This new iteration scheme can not only improve the accuracy of spectrum matching for a single-damping target spectrum, but also automate the spectrum matching for multiple-damping target spectra. The applicability and limitations as well as the method adopted to improve the numerical stability of this new iteration scheme are presented. The effectiveness of this new iteration scheme is illustrated by two example applications

  6. Directional effects in transitional resonance spectra and group constants

    International Nuclear Information System (INIS)

    Hill, R.N.; Oh, K.O.; Rhodes, J.D.

    1989-01-01

    Analytical exploratory investigations indicate that transition effects such as streaming cause a considerable spatial variation in the neutron spectra across resonances; streaming leads to opposite effects in the forward and backward directions. The neglect of this coupled spatial/angular variations of the transitory resonance spectra is an approximation that is common to all current group constant generation methodologies. This paper presents a description of the spatial/angular coupling of the neutron flux across isolated resonances. It appears to be necessary to differentiate between forward-and backward-directed neutron flux components or even to consider components in narrower angular cones. The effects are illustrated for an isolated actinide resonance in a simplified fast reactor blanket problem. The resonance spectra of the directional flux components φ + and φ - , and even more so the 90-deg cone components, are shown to deviate significantly from the infinite medium approximation, and the differences increase with penetration. The charges in φ + lead to a decreasing scattering group constant that enhances neutron transmission; the changes in φ - lead to an increasing group constant inhibiting backward scattering. Therefore, the changes in the forward-and backward-directed spectra both lead to increased neutron transmission. Conversely, the flux (φ = φ + +φ - ) is shown to agree closely with the infinite medium approximation both in the analytical formulas and in the numerical solution. The directional effect cancel in the summation. The forward-and backward-directed flux components are used as weighting spectra to illustrate the group constant changes for a single resonance

  7. Suppression of skeletal muscle signal using a crusher coil: A human cardiac (31) p-MR spectroscopy study at 7 tesla.

    Science.gov (United States)

    Schaller, Benoit; Clarke, William T; Neubauer, Stefan; Robson, Matthew D; Rodgers, Christopher T

    2016-03-01

    The translation of sophisticated phosphorus MR spectroscopy ((31)P-MRS) protocols to 7 Tesla (T) is particularly challenged by the issue of radiofrequency (RF) heating. Legal limits on RF heating make it hard to reliably suppress signals from skeletal muscle that can contaminate human cardiac (31)P spectra at 7T. We introduce the first surface-spoiling crusher coil for human cardiac (31)P-MRS at 7T. A planar crusher coil design was optimized with simulations and its performance was validated in phantoms. Crusher gradient pulses (100 μs) were then applied during human cardiac (31)P-MRS at 7T. In a phantom, residual signals were 50 ± 10% with BISTRO (B1 -insensitive train to obliterate signal), and 34 ± 8% with the crusher coil. In vivo, residual signals in skeletal muscle were 49 ± 4% using BISTRO, and 24 ± 5% using the crusher coil. Meanwhile, in the interventricular septum, spectral quality and metabolite quantification did not differ significantly between BISTRO (phosphocreatine/adenosine triphosphate [PCr/ATP] = 2.1 ± 0.4) and the crusher coil (PCr/ATP = 1.8 ± 0.4). However, the specific absorption rate (SAR) decreased from 96 ± 1% of the limit (BISTRO) to 16 ± 1% (crusher coil). A crusher coil is an SAR-efficient alternative for selectively suppressing skeletal muscle during cardiac (31)P-MRS at 7T. A crusher coil allows the use of sequence modules that would have been SAR-prohibitive, without compromising skeletal muscle suppression. © 2015 The Authors. Magnetic Resonance in Medicine Published by Wiley Periodicals, Inc. on behalf of International Society of Medicine in Resonance.

  8. Fluctuation analysis of rotational spectra

    International Nuclear Information System (INIS)

    Doessing, T.; Bracco, A.; Broglia, R.A.; Matsuo, M.

    1996-01-01

    The compound state rotational degree of freedom is ''damped'' in the sense that the electric quadrupole decay of a single quantum state with angular momentum I exhibits a spectrum of final states all having spin I-2. In actual experiments, the cascade of γ-rays associated with each of the members of the ensemble of compound nuclei uses each of the ''discrete'' transitions many more times than the ''continuum'' transitions. Relatively large and small fluctuations in the recorded coincidence spectrum ensue, respectively. The analysis of the fluctuations will be shown to be instrumental to gain insight into the phenomenon of rotational damping. For this purpose, two- and higher-fold coincidence spectra emitted from rotating nuclei are analyzed with respect to the count fluctuations. The coincidences from consecutive γ-rays emitted from discrete rotational bands generate ridges in the E γ1 .E γ2 spectrum, and the fluctuation analysis of the ridges is based upon the ansatz of a random selection of transition energies from band to band. This ansatz is supported by a cranked mean-field calculation for the nucleus 168 Yb, as well as by analyzing resolved bands in 168 Yb and its neighbors. The fluctuation analysis of the central valley (E γ1 =E γ2 ) is based upon the ansatz of fluctuations in the intensity of the transitions of Porter-Thomas type superposed on a smooth spectrum of transition energies. This ansatz is again supported by a mixed-band calculation. The mathematical treatment of count fluctuations is formulated in general (orig.)

  9. Evaluation of methods used for the direct generation of response spectra

    International Nuclear Information System (INIS)

    Mayers, R.L.; Muraki, T.; Jones, L.R.; Donikian, R.

    1983-01-01

    The paper presents an alternate methodology by which seismic in-structure response spectra may be generated directly from either ground or floor excitation spectra. The method is based upon stochastic concepts and utilizes the modal superposition solution. The philosophy of the method is based upon the notion that the evaluation of 'peak' response in uncertain excitation environments is only meaningful in a probabilistic sense. This interpretation of response spectra facilitates the generation of in-structure spectra for any non-exceedance probability (NEP). The method is validated by comparisons with a set of deterministic time-history analyses with three example models: an eleven-story building model, a containment structure stick model, and a floor mounted control panel, subjected to ten input spectrum compatible acceleration time-histories. A significant finding resulting from these examples is that the time-history method portrayed substantial variation in the resulting in-structure spectra, and therefore is unreliable for the generation of spectra. It is shown that the average of the time-history generated spectra can be estimated by the direct generation procedure, and reliable spectra may be generated for 85 NEP levels. The methodology presented herein is shown to be valid for both primary and secondary systems. Also included in the paper, is a review of the stochastic methods proposed by Singh and Der Kiureghian et. al., and the Fourier transform method proposed by Scanlan et al. (orig./HP)

  10. 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.)

  11. Composite Spectra Paper 1: HR 6902

    Indian Academy of Sciences (India)

    tribpo

    spectra; in many cases we have used the maximum width permitted by the optics of ... 10 mЕ, corresponding to 1 µm the plate, are the norm. ..... an inequality ..... on the spectra of HR 6902, we have thought it appropriate to weight the four ...

  12. 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)

  13. Near IR spectra of symbiotic stars

    International Nuclear Information System (INIS)

    Andrillat, Y.

    1982-01-01

    The author reports on recent observations from the near IR spectra of symbiotic stars. The helium and oxygen lines useful for the construction of theoretical models are identified. Observations for cool stars and novae (nebular phase) are outlined and the spectra of specific symbiotic stars between lambdalambda 8000-11000 are presented and discussed. (Auth./C.F.)

  14. 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...

  15. Research into spectra transformation of cooling tower droplet drift

    International Nuclear Information System (INIS)

    Mandrykin, G.P.

    1990-01-01

    Empirical droplet-diameter distributions in a cooling tower and outside are well approximated by the Rosin-Rammler-Bennet two-parameter function. Fractional efficiency of eliminators is also approximated by the above function fairly well. The design formulas proposed are universal and allow evaluation of droplet spectra transformation as well as the efficiency of measures for preventing droplet emissions from cooling towers both at the design and operation stages. Estimates of cooling tower droplet emissions calculated by the formulas suggested may be recommended as input data applied to the solution of environmental pollution problems and their assessment

  16. Properties of scintillator solutes

    International Nuclear Information System (INIS)

    Fluornoy, J.M.

    1998-06-01

    This special report summarizes measurements of the spectroscopic and other properties of the solutes that were used in the preparation of several new liquid scintillators developed at EG and G/Energy Measurements/Santa Barbara Operations (the precursor to Bechtel Nevada/Special Technologies Laboratory) on the radiation-to-light converter program. The data on the individual compounds are presented in a form similar to that used by Prof. Isadore Berlman in his classic handbook of fluorescence spectra. The temporal properties and relative efficiencies of the new scintillators are presented in Table 1, and the efficiencies as a function of wavelength are presented graphically in Figure 1. In addition, there is a descriptive glossary of the abbreviations used herein. Figure 2 illustrates the basic structures of some of the compounds and of the four solvents reported in this summary. The emission spectra generally exhibit more structure than the absorption spectra, with the result that the peak emission wavelength for a given compound may lie several nm away from the wavelength, λ avg , at the geometric center of the emission spectrum. Therefore, the author has chosen to list absorption peaks, λ max , and emission λ avg values in Figures 3--30, as being most illustrative of the differences between the compounds. The compounds, BHTP, BTPB, ADBT, and DPTPB were all developed on this program. P-terphenyl, PBD, and TPB are commercially available blue emitters. C-480 and the other longer-wavelength emitters are laser dyes available commercially from Exciton Corporation. 1 ref., 30 figs

  17. 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.

  18. 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.

  19. Solvent - solute interaction

    International Nuclear Information System (INIS)

    Urbanczyk, A.; Kalinowski, M.K.

    1983-01-01

    The electronic absorption spectrum of vanadyl acetylacetonate has been studied in 15 organic solvents. It has been found that wavenumbers and molar absorptivities of the long-wavelength bands (d-d transitions) can be well described by a complementary Lewis acid-base model including Gutmann's donor number [Gutmann V., Wychera E., Inorg. Nucl. Chem. Letters 2, 257 (1966)] and acceptor number [Mayer U., Gutmann V., Gerger W., Monatsh. Chem. 106, 1235 (1975)] of a solvent. This model describes also the solvent effect of the hyperfine splitting constant, Asub(iso)( 51 V), from e.s.r. spectra of VOacac 2 . These observations are discussed in terms of the donor-acceptor concept for solvent-solute interactions. (Author)

  20. PEPSI deep spectra. I. The Sun-as-a-star

    Science.gov (United States)

    Strassmeier, K. G.; Ilyin, I.; Steffen, M.

    2018-04-01

    Context. Full-disk solar flux spectra can be directly compared to stellar spectra and thereby serve as our most important reference source for, for example stellar chemical abundances, magnetic activity phenomena, radial-velocity signatures or global pulsations. Aim. As part of the first Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) key-science project, we aim to provide well-exposed and average-combined (viz. deep) high-resolution spectra of representative stellar targets. Such deep spectra contain an overwhelming amount of information, typically much more than what could be analyzed and discussed within a single publication. Therefore, these spectra will be made available in form of (electronic) atlases. The first star in this series of papers is our Sun. It also acts as a system-performance cornerstone. Methods: The Sun was monitored with PEPSI at the Large Binocular Telescope (LBT). Instead of the LBT we used a small robotic solar disk integration (SDI) telescope. The deep spectra in this paper are the results of combining up to ≈100 consecutive exposures per wavelength setting and are compared with other solar flux atlases. Results: Our software for the optimal data extraction and reduction of PEPSI spectra is described and verified with the solar data. Three deep solar flux spectra with a spectral resolution of up to 270 000, a continuous wavelength coverage from 383 nm to 914 nm, and a photon signal to noise ratio (S/N) of between 2000-8000:1 depending on wavelength are presented. Additionally, a time-series of 996 high-cadence spectra in one cross disperser is used to search for intrinsic solar modulations. The wavelength calibration based on Th-Ar exposures and simultaneous Fabry-Pérot combs enables an absolute wavelength solution within 10 m s-1 (rms) with respect to the HARPS laser-comb solar atlas and a relative rms of 1.2 m s-1 for one day. For science demonstration, we redetermined the disk-average solar Li abundance to 1.09

  1. Some deficiencies and solutions in gamma ray spectrometry

    International Nuclear Information System (INIS)

    Westmeier, W.

    1998-01-01

    A number of problems in high-resolution gamma ray spectrometry as well as some deficiencies of existing computer programs for the quantitative evaluation of spectra are discussed and some practical solutions are proposed. (author)

  2. Quantum noise spectra for periodically driven cavity optomechanics

    Science.gov (United States)

    Aranas, E. B.; Akram, M. Javed; Malz, Daniel; Monteiro, T. S.

    2017-12-01

    A growing number of experimental setups in cavity optomechanics exploit periodically driven fields. However, such setups are not amenable to analysis by using simple, yet powerful, closed-form expressions of linearized optomechanics, which have provided so much of our present understanding of experimental optomechanics. In the present paper, we formulate a method to calculate quantum noise spectra in modulated optomechanical systems, which we analyze, compare, and discuss with two other recently proposed solutions: we term these (i) frequency-shifted operators, (ii) Floquet [Phys. Rev. A 94, 023803 (2016), 10.1103/PhysRevA.94.023803], and (iii) iterative analysis [New J. Phys. 18, 113021 (2016), 10.1088/1367-2630/18/11/113021]. We prove that (i) and (ii) yield equivalent noise spectra and find that (iii) is an analytical approximation to (i) for weak modulations. We calculate the noise spectra of a doubly modulated system describing experiments of levitated particles in hybrid electro-optical traps. We show excellent agreement with Langevin stochastic simulations in the thermal regime and predict squeezing in the quantum regime. Finally, we reveal how otherwise-inaccessible spectral components of a modulated system can be measured in heterodyne detection through an appropriate choice of modulation frequencies.

  3. Characteristics of Jerk Response Spectra for Elastic and Inelastic Systems

    Directory of Open Access Journals (Sweden)

    Haoxiang He

    2015-01-01

    Full Text Available Jerk is the time rate of acceleration and mainly represents the nonstationary component in high frequency band of the earthquake wave. The study on jerk and its response spectra can enhance the recognition of the nonstationary ground motion. The mechanical meaning and research value of jerk are described. Jerk is recommended to be solved by establishing state-space equations and Runge-Kutta method. The solution method of elastic and inelastic jerk response spectra under ground motion is established, and the accurate jerk spectrum should be calculated directly according to numerical computing instead of pseudo-acceleration spectrum. The characteristics of jerk response spectra are studied according to the influencing factors, such as site condition, amplification factor, ductility factor, and reduction factor. The concept of impact reduction factor is presented. The statistical results show that the jerk spectrum has similar rules as the acceleration spectrum, and the amplitude is relative to the predominant period, especially for structures with short or medium period. If the ductility is improved, the effective jerk will reduce obviously, and the impact reduction factor will be enhanced. Different from the strength reduction factor, the impact reduction factor is nearly not relevant to the period.

  4. A simple theory of LET spectra of heavy ion beams

    International Nuclear Information System (INIS)

    Wilson, J.W.; Townsend, L.W.; Schimmerling, W.; Norbury, J.W.; Wong, M.; Badavi, F.

    1985-01-01

    The transition of high energy ion beams through extended matter is of considerable interest to the space program as well as radiobiology and medical therapy. The transition is defined in terms of various atomic/molecular and nuclear cross sections in a Boltzmann-like equation. One dimensional solutions are derived herein from which LET spectra are derived for secondary fragments. Such LET spectra are fundamental to the evaluation of beam quality, biological effects, and radiation shield effectiveness. Sensitivity of LET spectral distributions to uncertainty in physical parameters such as the isotopic fragmentation parameters, fragment mass, and absorption cross section is established for a number of ion beams. The main limitation in LET studies is the paucity of both elemental and isotopic fragmentation data. The elemental fragmentation data is more readily available because of its simple experimental procedures. It has been suggested by some that natural abundance ratios should be used with the elemental cross sections but this leads to an order-of-magnitude error in LET spectra in many cases. Very few examples of isotopic fragmentation measurements are available. Although major advances in nuclear fragmentation theory have been made, we must await more extensive isotopic fragmentation experiments for final validation

  5. Spectra of conformal sigma models

    International Nuclear Information System (INIS)

    Tlapak, Vaclav

    2015-04-01

    In this thesis the spectra of conformal sigma models defined on (generalized) symmetric spaces are analysed. The spaces where sigma models are conformal without the addition of a Wess-Zumino term are supermanifolds, in other words spaces that include fermionic directions. After a brief review of the general construction of vertex operators and the background field expansion, we compute the diagonal terms of the one-loop anomalous dimensions of sigma models on semi-symmetric spaces. We find that the results are formally identical to the symmetric case. However, unlike for sigma models on symmetric spaces, off diagonal terms that lead to operator mixing are also present. These are not computed here. We then present a detailed analysis of the one-loop spectrum of the supersphere S 3 vertical stroke 2 sigma model as one of the simplest examples. The analysis illustrates the power and simplicity of the construction. We use this data to revisit a duality with the OSP(4 vertical stroke 2) Gross-Neveu model that was proposed by Candu and Saleur. With the help of a recent all-loop result for the anomalous dimension of (1)/(2)BPS operators of Gross-Neveu models, we are able to recover the entire zero-mode spectrum of the supersphere model. We also argue that the sigma model constraints and its equations of motion are implemented correctly in the Gross-Neveu model, including the one-loop data. The duality is further supported by a new all-loop result for the anomalous dimension of the ground states of the sigma model. However, higher-gradient operators cannot be completely recovered. It is possible that this discrepancy is related to a known instability of the sigma model. The instability of sigma models is due to symmetry preserving high-gradient operators that become relevant at arbitrarily small values of the coupling. This feature has been observed long ago in one-loop calculations of the O(N)-vector model and soon been realized to be a generic property of sigma models

  6. 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.

  7. DANTE, Activation Analysis Neutron Spectra Unfolding by Covariance Matrix Method

    International Nuclear Information System (INIS)

    Petilli, M.

    1981-01-01

    1 - Description of problem or function: The program evaluates activation measurements of reactor neutron spectra and unfolds the results for dosimetry purposes. Different evaluation options are foreseen: absolute or relative fluxes and different iteration algorithms. 2 - Method of solution: A least-square fit method is used. A correlation between available data and their uncertainties has been introduced by means of flux and activity variance-covariance matrices. Cross sections are assumed to be constant, i.e. with variance-covariance matrix equal to zero. The Lagrange multipliers method has been used for calculating the solution. 3 - Restrictions on the complexity of the problem: 9 activation experiments can be analyzed. 75 energy groups are accepted

  8. Components of Program for Analysis of Spectra and Their Testing

    Directory of Open Access Journals (Sweden)

    Ivan Taufer

    2013-11-01

    Full Text Available The spectral analysis of aqueous solutions of multi-component mixtures is used for identification and distinguishing of individual componentsin the mixture and subsequent determination of protonation constants and absorptivities of differently protonated particles in the solution in steadystate (Meloun and Havel 1985, (Leggett 1985. Apart from that also determined are the distribution diagrams, i.e. concentration proportions ofthe individual components at different pH values. The spectra are measured with various concentrations of the basic components (one or severalpolyvalent weak acids or bases and various pH values within the chosen range of wavelengths. The obtained absorbance response area has to beanalyzed by non-linear regression using specialized algorithms. These algorithms have to meet certain requirements concerning the possibility ofcalculations and the level of outputs. A typical example is the SQUAD(84 program, which was gradually modified and extended, see, e.g., (Melounet al. 1986, (Meloun et al. 2012.

  9. Soil Solution

    NARCIS (Netherlands)

    Sonneveld, C.; Voogt, W.

    2009-01-01

    The characteristics of the soil solution in the root environment in the greenhouse industry differ much from those for field grown crops. This is caused firstly by the growing conditions in the greenhouse, which strongly differ from those in the field and secondly the function attributed to the soil

  10. Seeding Solutions

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Crucible Group operates on the basis of good faith –– producing best effort non-consensus texts. ..... science and technology-based solutions to agricultural production constraints, it is ...... In 1997 researchers at Case Western Reserve Medical School in Ohio (US) ...... Is there a need to update the system-wide IP audit?

  11. Circular Solutions

    NARCIS (Netherlands)

    Annevelink, E.; Bos, H.L.; Meesters, K.P.H.; Oever, van den M.J.A.; Haas, de W.; Kuikman, P.J.; Rietra, R.P.J.J.; Sikirica, N.

    2016-01-01

    The fifth part of this report on Circular Solutions is about the circular principle From Waste to Resource. The purpose of this study is to select promising options for the implementation of this circular principle and to elaborate these options further.

  12. Podcast solutions

    CERN Document Server

    Geoghegan, Michael W

    2005-01-01

    Podcasting is the art of recording radio show style audio tracks, then distributing them to listeners on the Web via podcasting software such as iPodder. From downloading podcasts to producing a track for fun or profit, ""Podcast Solutions"" covers the entire world of podcasting with insight, humor, and the unmatched wisdom of experience.

  13. 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.)

  14. IRAS low-resolution spectra of galaxies

    International Nuclear Information System (INIS)

    Cohen, M.; Volk, K.

    1989-01-01

    The spectra of external galaxies are selected and extracted from the IRAS LRS database. Twenty-one objects present viable spectra. One is a peculiar star-forming E-S0 galaxy. The remainder are all starburst or H II region galaxies. Their average spectrum demonstrates the importance of the PAH emission bands in the 8-23-micron region and reinforces the conclusion reached from ground-based spectra, that there is a strong correlation between the PAH bands and the starburst or H II region character of a galaxy. 32 refs

  15. 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

  16. 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...

  17. Contribution to the study of turbulence spectra

    Science.gov (United States)

    Dumas, R.

    1979-01-01

    An apparatus suitable for turbulence measurement between ranges of 1 to 5000 cps and from 6 to 16,000 cps was developed and is described. Turbulence spectra downstream of the grills were examined with reference to their general characteristics, their LF qualities, and the effects of periodic turbulence. Medium and HF are discussed. Turbulence spectra in the boundary layers are similarly examined, with reference to their fluctuations at right angles to the wall, and to lateral fluctuations. Turbulence spectra in a boundary layer with suction to the wall is discussed. Induced turbulence, and turbulence spectra at high Reynolds numbers. Calculations are presented relating to the effect of filtering on the value of the correlations in time and space.

  18. Experimental phase diagram for random laser spectra

    International Nuclear Information System (INIS)

    El-Dardiry, Ramy G S; Mooiweer, Ronald; Lagendijk, Ad

    2012-01-01

    We systematically study the presence of narrow spectral features in a wide variety of random laser samples. Less gain or stronger scattering are shown to lead to a crossover from spiky to smooth spectra. A decomposition of random laser spectra into a set of Lorentzians provides unprecedented detail in the analysis of random laser spectra. We suggest an interpretation in terms of mode competition that enables an understanding of the observed experimental trends. In this interpretation, smooth random laser spectra are a consequence of competing modes for which the loss and gain are proportional. Spectral spikes are associated with modes that are uncoupled from the mode competition in the bulk of the sample. (paper)

  19. Electronic and vibrational circular dichroism spectra of (R)-(−)-apomorphine

    International Nuclear Information System (INIS)

    Abbate, Sergio; Longhi, Giovanna; Lebon, France; Tommasini, Matteo

    2012-01-01

    Highlights: ► ECD and VCD Spectra of (R)-(−)-apomorphine measured in various solvents. ► DFT calculations allow to study the protonation state and conformations. ► Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  20. Angular Spectra of Polarized Galactic Foregrounds

    OpenAIRE

    Cho, Jung; Lazarian, A.

    2003-01-01

    It is believed that magnetic field lines are twisted and bend by turbulent motions in the Galaxy. Therefore, both Galactic synchrotron emission and thermal emission from dust reflects statistics of Galactic turbulence. Our simple model of Galactic turbulence, motivated by results of our simulations, predicts that Galactic disk and halo exhibit different angular power spectra. We show that observed angular spectra of synchrotron emission are compatible with our model. We also show that our mod...

  1. Solution Prototype

    DEFF Research Database (Denmark)

    Efeoglu, Arkin; Møller, Charles; Serie, Michel

    2013-01-01

    This paper outlines an artifact building and evaluation proposal. Design Science Research (DSR) studies usually consider encapsulated artifact that have relationships with other artifacts. The solution prototype as a composed artifact demands for a more comprehensive consideration in its systematic...... environment. The solution prototype that is composed from blending product and service prototype has particular impacts on the dualism of DSR’s “Build” and “Evaluate”. Since the mix between product and service prototyping can be varied, there is a demand for a more agile and iterative framework. Van de Ven......’s research framework seems to fit this purpose. Van de Ven allows for an iterative research approach to problem solving with flexible starting point. The research activity is the result between the iteration of two dimensions. This framework focuses on the natural evaluation, particularly on ex...

  2. 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)

  3. 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.

  4. Qualitative analysis of the rare earth element by simulation of inductively coupled plasma emission spectra

    International Nuclear Information System (INIS)

    Hashimoto, M.S.; Tobishima, Taeko; Kamitake, Seigo; Yasuda, Kazuo.

    1985-01-01

    The emission lines for qualitative analysis of rare earth elements by a simulation technique of ICP spectra were proposed. The spectra were simulated by employing a Gaussian (or a Lorentzian at high concentrations) profile. The simulated spectra corresponded quite well with the observed ones. The emission lines were selected so that the interference was as small as possible. The present qualitative analysis is based on a pattern recognition method where observed intensity ratios of the emission lines in each element are compared with those of a single analyte element. The qualitative analysis was performed for twelve standard solutions containing a single rare earth element and for eight standard solutions containing an element other than rare earth elements. The selection of the emission lines and the algorithm of the present qualitative analysis were justified. (author)

  5. StarNet: An application of deep learning in the analysis of stellar spectra

    Science.gov (United States)

    Kielty, Collin; Bialek, Spencer; Fabbro, Sebastien; Venn, Kim; O'Briain, Teaghan; Jahandar, Farbod; Monty, Stephanie

    2018-06-01

    In an era when spectroscopic surveys are capable of collecting spectra for hundreds of thousands of stars, fast and efficient analysis methods are required to maximize scientific impact. These surveys provide a homogeneous database of stellar spectra that are ideal for machine learning applications. In this poster, we present StarNet: a convolutional neural network model applied to the analysis of both SDSS-III APOGEE DR13 and synthetic stellar spectra. When trained on synthetic spectra alone, the calculated stellar parameters (temperature, surface gravity, and metallicity) are of excellent precision and accuracy for both APOGEE data and synthetic data, over a wide range of signal-to-noise ratios. While StarNet was developed using the APOGEE observed spectra and corresponding ASSeT synthetic grid, we suggest that this technique is applicable to other spectral resolutions, spectral surveys, and wavelength regimes. As a demonstration of this, we present a StarNet model trained on lower resolution, R=6000, IR synthetic spectra, describing the spectra delivered by Gemini/NIFS and the forthcoming Gemini/GIRMOS instrument (PI Sivanandam, UToronto). Preliminary results suggest that the stellar parameters determined from this low resolution StarNet model are comparable in precision to the high-resolution APOGEE results. The success of StarNet at lower resolution can be attributed to (1) a large training set of synthetic spectra (N ~200,000) with a priori stellar labels, and (2) the use of the entire spectrum in the solution rather than a few weighted windows, which are common methods in other spectral analysis tools (e.g. FERRE or The Cannon). Remaining challenges in our StarNet applications include rectification, continuum normalization, and wavelength coverage. Solutions to these problems could be used to guide decisions made in the development of future spectrographs, spectroscopic surveys, and data reduction pipelines, such as for the future MSE.

  6. Vibrational spectra of the cyanodimethylmetal complexes of magnesium, aluminium, gallium, and indium

    International Nuclear Information System (INIS)

    Mueller, J.; Schmock, F.; Klopsch, A.; Dehnicke, K.

    1975-01-01

    Tetramethylammonium cyanide reacts with an ethereal solution of dimethylmagnesium to form [NMe 4 ] 4 [Me 2 MgCN] 4 , the complex anion of which is isoelectronic with the known tetrameric dimethylaluminium cyanide [Me 2 AlCN] 4 . The vibrational spectra are reported together with those of the corresponding gallium and indium compounds. (orig.) [de

  7. Rotation-vibrational spectra of diatomic molecules and nuclei with Davidson interactions

    CERN Document Server

    Rowe, D J

    1998-01-01

    Complete rotation-vibrational spectra and electromagnetic transition rates are obtained for Hamiltonians of diatomic molecules and nuclei with Davidson interactions. Analytical results are derived by dynamical symmetry methods for diatomic molecules and a liquid-drop model of the nucleus. Numerical solutions are obtained for a many-particle nucleus with quadrupole Davidson interactions within the framework of the microscopic symplectic model. (author)

  8. Resonance Raman Spectra of the Transient Cl2 and Br2 Radical Anions

    DEFF Research Database (Denmark)

    Wilbrandt, Robert Walter; Jensen, Niels-Henrik; Sillesen, Alfred Hegaard

    1984-01-01

    The resonance Raman spectra of the short-lived radical anions ClImage 2− and BrImage − in aqueous solution are reported. The observed wavenumbers of 279 cm−1 for ClImage − and 177 cm−1 for BrImage − are about 10% higher than those published for the corresponding species isolated in solid argon ma...

  9. Measurement of fast neutron spectra inside reactors with a Li{sup 6} semiconductor counter spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Ajdacic, V S; Lalovic, B I; Petrovic, B P [Institute of nuclear sciences Boris Kidric, Vinca, Beograd (Yugoslavia)

    1963-12-15

    The possibility of using the Li{sup 6} semiconductor counter spectrometer for measuring fast neutron spectra inside reactors has been investigated in details and some solutions of the difficulties associated with the high interference of thermal neutrons in well-moderated reactors are suggested and checked experimentally (author)

  10. Proton magnetic resonance spectra of metal ammine complexes, 8

    International Nuclear Information System (INIS)

    Taura, Toshiaki; Sakaguchi, Ushio; Yoneda, Hayami

    1976-01-01

    The rates of amine hydrogen isotopic exchange in the [Co(O) 2 (N) 4 ] + complex ions, where (O) 2 represents carbonate, oxalate, or malonate ions, and (N) 4 , tetraamine, bis(ethylenediamine), or bis(trimethylenediamine), were measured in D 2 O at 35 0 C by the PMR technique. It was found that: (1) the rates for trans (to oxygen) amines are faster than those for cis amines; (2) the rates, especially for trans amines, in the carbonato complexes are slower than those in the oxalato and malonato analogs, and (3) the difference between the rates for cis and trans amines is smaller in the bis(diamine) complexes than in the tetraammine complexes. These results are discussed in terms of the influence of the chelate geometry in the complex on the exchange reaction. (auth.)

  11. 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

  12. Prototropic tautomerism of 5-nitrobenzimidazole derivatives in {sup 1}H, {sup 13}C and {sup 15}N NMR spectra; Tautomeria prototropowa pochodnych 5-nitrobenzimidazolu w widmach {sup 1}H, {sup 13}C, {sup 15}N NMR

    Energy Technology Data Exchange (ETDEWEB)

    Wiench, J W; Bocian, W; Stefaniak, L [Inst. Chemii Organicznej, Polska Akademia Nauk, Warsaw (Poland)

    1994-12-31

    NMR spectra of 5-nitrobenzimidazole derivatives in DMSO solution show the fast exchange of protons. The line broadening in {sup 1}H,{sup 13}C and {sup 15}N spectra have been observed. The interpretation of the spectra has been done basing on chemical shifts values and couplings between nuclei in the investigated derivatives. 3 refs, 2 figs, 3 tabs.

  13. Differential dpa calculations with SPECTRA-PKA

    Science.gov (United States)

    Gilbert, M. R.; Sublet, J.-Ch.

    2018-06-01

    The processing code SPECTRA-PKA produces energy spectra of primary atomic recoil events (or primary knock-on atoms, PKAs) for any material composition exposed to an irradiation spectrum. Such evaluations are vital inputs for simulations aimed at understanding the evolution of damage in irradiated material, which is generated in cascade displacement events initiated by PKAs. These PKA spectra present the full complexity of the input (to SPECTRA-PKA) nuclear data-library evaluations of recoil events. However, the commonly used displacements per atom (dpa) measure, which is an integral measure over all possible recoil events of the displacement damage dose, is still widely used and has many useful applications - as both a comparative and correlative quantity. This paper describes the methodology employed that allows the SPECTRA-PKA code to evaluate dpa rates using the energy-dependent recoil (PKA) cross section data used for the PKA distributions. This avoids the need for integral displacement kerma cross sections and also provides new insight into the relative importance of different reaction channels (and associated different daughter residual and emitted particles) to the total integrated dpa damage dose. Results are presented for Fe, Ni, W, and SS316. Fusion dpa rates are compared to those in fission, highlighting the increased contribution to damage creation in the former from high-energy threshold reactions.

  14. Climatology of tropospheric vertical velocity spectra

    Science.gov (United States)

    Ecklund, W. L.; Gage, K. S.; Balsley, B. B.; Carter, D. A.

    1986-01-01

    Vertical velocity power spectra obtained from Poker Flat, Alaska; Platteville, Colorado; Rhone Delta, France; and Ponape, East Caroline Islands using 50-MHz clear-air radars with vertical beams are given. The spectra were obtained by analyzing the quietest periods from the one-minute-resolution time series for each site. The lengths of available vertical records ranged from as long as 6 months at Poker Flat to about 1 month at Platteville. The quiet-time vertical velocity spectra are shown. Spectral period ranging from 2 minutes to 4 hours is shown on the abscissa and power spectral density is given on the ordinate. The Brunt-Vaisala (B-V) periods (determined from nearby sounding balloons) are indicated. All spectra (except the one from Platteville) exhibit a peak at periods slightly longer than the B-V period, are flat at longer periods, and fall rapidly at periods less than the B-V period. This behavior is expected for a spectrum of internal waves and is very similar to what is observed in the ocean (Eriksen, 1978). The spectral amplitudes vary by only a factor of 2 or 3 about the mean, and show that under quiet conditions vertical velocity spectra from the troposphere are very similar at widely different locations.

  15. 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.

  16. 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.

  17. 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

  18. Identification of solution products of lanthanoid (3) diethyldithiocarbamatohexamethyl phosphotriamide compounds from IR, electron and sup 1 H, sup 13 C, sup 31 P NMR absorption spectra. Identifikatsiya produktov rastvoreniya diehtilditiokarbamatogeksametil fosfotriamidnykh soedinenij lantanoidov (3) po IK, ehlektronnym i YaMR sup 1 H, sup 13 C, sup 31 P spektram pogloshcheniya

    Energy Technology Data Exchange (ETDEWEB)

    Skopenko, V V; Savost' yanova, A F; Trachevskij, V V; Gorbalyuk, A D; Sukhan, T A [Kievskij Gosudarstvennyj Univ., Kiev (Ukrainian SSR)

    1991-01-01

    By the methods of conductometry, IR, electron and {sup 1}H, {sup 13}C, {sup 31}P NMR spectroscopy nonaqueous solutions of the compounds (La(S{sub 2}CNEt{sub 2})Hmpa{sub 5})(BPh{sub 4}){sub 2}, Hmpa=OP(NMe{sub 2}){sub 3}; (Ln(S{sub 2}CNEt{sub 2}){sub 2}Hmpa{sub 3})BPh{sub 4}, Ln=Y, La-Lu; (Ln(S{sub 2}CNEt{sub 2}){sub 3}Hmpa{sub 2}), Ln=La-Gd, have been investigated. It is ascertained that bis-dithiocarbamate compounds are dissolved in all the studied solvents with preservation of composition and structure of lanthanide (3) inner coordination sphere. Tris-dithiocarbamates in nonaqueous solutions are subjected to reactions of ligand redistribution according to schemes depending on the solvent nature. In the process of dissolving of lanthanum monodithiocarbamate bond isomerization of dithiocarbamate groups occurs, which is pronounced in splitting of {sup 1}H and {sup 13}C NMR signals.

  19. 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

  20. 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...

  1. Rotational structure in molecular infrared spectra

    CERN Document Server

    di Lauro, Carlo

    2013-01-01

    Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effe...

  2. Observed and theoretical spectra in the 10-100 A interval. [of solar spectra

    Science.gov (United States)

    Brown, W. A.; Bruner, M. E.; Acton, L. W.

    1988-01-01

    The soft X-ray spectra recorded in two sounding-rocket flights in 1982 and 1985 are compared with predicted spectra. The processed densitometer trace of the full spectrum is presented, together with the new spectrum from the 1985 experiment. The intensities of the lines are then compared with predictions.

  3. 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)

  4. 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.

  5. 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.

  6. 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

  7. IUE Archival Spectra of 31 Cygni

    Directory of Open Access Journals (Sweden)

    Young Woon Kang

    1991-06-01

    Full Text Available UV light curve of 31 Cygni has been made from the IUE high dispersion spectra. The depth of primary minimum of the light curve is 5.2 magnitudes because the B4 star's steep spectral gradient. The light curve has been analyzed by the method of Wilson and Devinney Differential Correction (WD. The radial velocities have been measured using the Mg II h lines. The spectroscopic elements have been determined by the method of WD. The change of the Mg II resonance doublet has been investigated based on the eight representative spectra taken at well distributed orbital phases.

  8. Approximation of Moessbauer spectra of metallic glasses

    International Nuclear Information System (INIS)

    Miglierini, M.; Sitek, J.

    1988-01-01

    Moessbauer spectra of iron-rich metallic glasses are approximated by means of six broadened lines which have line position relations similar to those of α-Fe. It is shown via the results of the DISPA (dispersion mode vs. absorption mode) line shape analysis that each spectral peak is broadened owing to a sum of Lorentzian lines weighted by a Gaussian distribution in the peak position. Moessbauer parameters of amorphous metallic Fe 83 B 17 and Fe 40 Ni 40 B 20 alloys are presented, derived from the fitted spectra. (author). 2 figs., 2 tabs., 21 refs

  9. What can we learn from inclusive spectra

    International Nuclear Information System (INIS)

    Nagamiya, S.

    1981-05-01

    The present experimental status on single particle inclusive measurements is described. Then, the geometrical aspect of the collision is discussed from the data of total integrated cross sections of nuclear charge or mass. The dynamical aspect of the collision, especially that for the participating region is discussed in connection with proton spectra, composite fragment spectra, pion production, ratios of π - /π + , n/p and t/ 3 He, and production of strange particles. The spectator physics is described from the data on projectile fragments

  10. Photoacoustic spectra of rare earth pentaphosphates

    International Nuclear Information System (INIS)

    Strek, W.; Lukowiak, E.; Marchewka, M.; Ratajczak, H.

    1987-01-01

    The photoacoustic (PA) spectra of raee earth pentaphosphates of the general formula REP 5 O 14 , where RE = Pr,Nd,Ho,Er,Tm, are reported. The photoacoustic bands were identified and compared with the absorption spectra. For quantitative analysis of PA bands of lanthanide (III) ions, the intensity ratio vector is introduced characterizing the intensity distribution of f-f transitions. It was found that the relative intensities of photoacoustic bands are comparable with the intensities of absorption bands. It is concluded that the nonradiative relaxation mechanism leading to the PA signal is independent of the manifold-to-manifold J-J' radiationless transitions

  11. Fluorescence spectra of Rhodamine 6G for high fluence excitation laser radiation

    CERN Document Server

    Hung, J; Olaizola, A M

    2003-01-01

    Fluorescence spectral changes of Rhodamine 6G in ethanol and glycerol solutions and deposited as a film on a silica surface have been studied using a wide range of pumping field fluence at 532 nm at room temperature. Blue shift of the fluorescence spectra and fluorescence quenching of the dye molecule in solution are observed at high excitation fluence values. Such effects are not reported for the film sample. The effects are interpreted as the result of population redistribution in the solute-solvent molecular system induced by the high fluence field and the fluence dependence of the radiationless decay mechanism.

  12. An X-ray absorption spectroelectrochemical cell for radioactive solutions

    International Nuclear Information System (INIS)

    Rettig, D.; Herrmann, S.; Mitschke, F.; Vonau, W.; Brendler, V.; Geipel, G.; Reich, T.; Bernhard, G.

    2002-01-01

    A spectroelectrochemical cell was designed and constructed for measurement of X-ray absorption spectra under electrochemical control of the redox potential of actinide-containing solutions. A first inactive test demonstrated the feasibility of an Ag anode as a non-gassing auxiliary electrode in chloride solutions. (orig.)

  13. 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.

  14. Analytical solution to the coupled evolution of multidimensional NMR data

    International Nuclear Information System (INIS)

    Mueller, Geoffrey A.

    2009-01-01

    A substantial time savings in the collection of multidimensional NMR data can be achieved by coupling the evolution of nuclei in the indirect dimensions. In order to save time, the sampling of the indirect dimensions is inherently incomplete. Therefore, many algorithms and samplings schemes have been developed aimed at separating the coevolved frequencies into analyzable data with limited artifacts. This paper extends the use of circulant matrices to describe coupled evolution with convolutions. By understanding the data in terms of convolutions, there is an exact solution to the inversion problem of extracting the orthogonal vectors from the coupled dimensions. Previously, this inversion problem has been solved using peak coordinates extracted from spectra. In contrast, the method described here uses spectra directly. This solution suggests a simple sampling scheme of collecting N orthogonal spectra, and N + 1 projections at specific projection angles, however, the theory developed can be extended generally to arbitrary projection angles. The circulant matrix methodology is demonstrated for simulated and real data. Further, an algorithm for separating overlapped signals in the detected dimension is presented. The algorithm involves the forward calculation of the coupled spectra from the orthogonal spectra, followed by back calculation of the orthogonal spectra from the coupled spectra, thus permitting rigorous cross-validation. This algorithm is shown to be robust in that erroneous solutions give rise to large artifacts

  15. DCS Terrain Submission for Bark River PMR

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — Terrain data, as defined in FEMA Guidelines and Specifications, Appendix N: Data Capture Standards, describes the digital topographic data that was used to create...

  16. DCS Hydraulics Submission for Grand River PMR

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — Recent developments in digital terrain and geospatial database management technology make it possible to protect this investment for existing and future projects to...

  17. PMR Monitoring natuurcompensatie Voordelta - bodemdieren 2004 - 2013

    NARCIS (Netherlands)

    Craeymeersch, J.A.M.; Escaravage, V.; Adema, J.; Asch, van M.; Tulp, I.Y.M.; Prins, T.

    2015-01-01

    Met de aanleg van Maasvlakte 2 is de haven van Rotterdam uitgebreid. Maasvlakte 2 ligt in de Voordelta, een Natura 2000-gebied. In de Passende Beoordeling die in 2007 is uitgevoerd, is een aantal effecten van de aanwezigheid van Maasvlakte als significant negatief beoordeeld. Ter compensatie van

  18. BASEMAP, BROWN COUNTY, WISCONSIN TROUT CREEK PMR

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — FEMA Framework Basemap datasets comprise six of the seven FGDC themes of geospatial data that are used by most GIS applications (Note: the seventh framework theme,...

  19. TERRAIN, ESSEX COUNTY, MASSACHUSETTS - Coastal PMR

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — Terrain data, as defined in FEMA Guidelines and Specifications, Appendix M: Data Capture Standards, describes the digital topographic data that was used to create...

  20. BASEMAP, UPPER CUMBERLAND WATERSHED, PMR, TENNESSEE, USA

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — FEMA Framework Basemap datasets comprise six of the seven FGDC themes of geospatial data that are used by most GIS applications (Note: the seventh framework theme,...

  1. Simulation of Prompt gamma-rays spectra: Calibration for water tables pollutants determination

    International Nuclear Information System (INIS)

    Khelifi, R.; Idiri, Z.; Amokrane, A.; Bode, P.

    2006-01-01

    Full text of publication follows: A PGNAA facility using Am-Be source has been developed with the aim of analyzing the major composition of various elements in aqueous sample. A program of simulation for gamma rays spectra was developed to estimate the detection limits of pollutants. The background line under photo-peaks of interest was simulated by using experimental data. The reliability of the program is checked on real condition with solutions contained various salt concentration. Comparison between experimental and simulated spectra was found in good agreement. (authors)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2003-06-09

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

  3. Quantitative interpretations of Visible-NIR reflectance spectra of blood.

    Science.gov (United States)

    Serebrennikova, Yulia M; Smith, Jennifer M; Huffman, Debra E; Leparc, German F; García-Rubio, Luis H

    2008-10-27

    This paper illustrates the implementation of a new theoretical model for rapid quantitative analysis of the Vis-NIR diffuse reflectance spectra of blood cultures. This new model is based on the photon diffusion theory and Mie scattering theory that have been formulated to account for multiple scattering populations and absorptive components. This study stresses the significance of the thorough solution of the scattering and absorption problem in order to accurately resolve for optically relevant parameters of blood culture components. With advantages of being calibration-free and computationally fast, the new model has two basic requirements. First, wavelength-dependent refractive indices of the basic chemical constituents of blood culture components are needed. Second, multi-wavelength measurements or at least the measurements of characteristic wavelengths equal to the degrees of freedom, i.e. number of optically relevant parameters, of blood culture system are required. The blood culture analysis model was tested with a large number of diffuse reflectance spectra of blood culture samples characterized by an extensive range of the relevant parameters.

  4. Analysis of COSIMA spectra: Bayesian approach

    Directory of Open Access Journals (Sweden)

    H. J. Lehto

    2015-06-01

    secondary ion mass spectrometer (TOF-SIMS spectra. The method is applied to the COmetary Secondary Ion Mass Analyzer (COSIMA TOF-SIMS mass spectra where the analysis can be broken into subgroups of lines close to integer mass values. The effects of the instrumental dead time are discussed in a new way. The method finds the joint probability density functions of measured line parameters (number of lines, and their widths, peak amplitudes, integrated amplitudes and positions. In the case of two or more lines, these distributions can take complex forms. The derived line parameters can be used to further calibrate the mass scaling of TOF-SIMS and to feed the results into other analysis methods such as multivariate analyses of spectra. We intend to use the method, first as a comprehensive tool to perform quantitative analysis of spectra, and second as a fast tool for studying interesting targets for obtaining additional TOF-SIMS measurements of the sample, a property unique to COSIMA. Finally, we point out that the Bayesian method can be thought of as a means to solve inverse problems but with forward calculations, only with no iterative corrections or other manipulation of the observed data.

  5. Vibrational spectra for hydrogenated amorphous semiconductors

    International Nuclear Information System (INIS)

    Kamitakahara, W.A.; Bouchard, A.M.; Biswas, R.; Gompf, F.; Suck, J.B.

    1990-01-01

    Hydrogen vibration spectra have been measured by neutron scattering for several amorphous semiconductor materials, including a-Ge:H and a-SiC:H samples containing about 10 at. % H. The data for a-Ge:H are compared in detail with the results of realistic computer simulations

  6. 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

  7. Automatic analysis of charged particle spectra

    International Nuclear Information System (INIS)

    Seres, Z.; Kiss, A.

    1975-11-01

    A computer program system is developed for off-line automatic analysis of a series of charged particle spectra measured by solid-state detectors and collected on magnetic tapes. The procedure results in complete angular distributions for the excited levels of the final nucleus up to about 15 MeV. (orig.) [de

  8. An adaptive method for γ spectra smoothing

    International Nuclear Information System (INIS)

    Xiao Gang; Zhou Chunlin; Li Tiantuo; Han Feng; Di Yuming

    2001-01-01

    Adaptive wavelet method and multinomial fitting gliding method are used for smoothing γ spectra, respectively, and then FWHM of 1332 keV peak of 60 Co and activities of 238 U standard specimen are calculated. Calculated results show that adaptive wavelet method is better than the other

  9. INTRAMOLECULAR ISOTOPE EFFECTS IN HYDROCARBON MASS SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Stevenson, D. P.; Schachtschneider, J. H.

    1963-07-15

    Approximate calculations based on the quasi-equilibrium rate theory of the origin of mass spectra are shown to lead to an approximately correct magnitude for the intramolecular ( pi /sup -/) isotope effect on C--H bond dissociation probabilities of various deuterohydrocarbons. (auth)

  10. Library search with regular reflectance IR spectra

    International Nuclear Information System (INIS)

    Staat, H.; Korte, E.H.; Lampen, P.

    1989-01-01

    Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

  11. Chaotic spectra: How to extract dynamic information

    International Nuclear Information System (INIS)

    Taylor, H.S.; Gomez Llorente, J.M.; Zakrzewski, J.; Kulander, K.C.

    1988-10-01

    Nonlinear dynamics is applied to chaotic unassignable atomic and molecular spectra with the aim of extracting detailed information about regular dynamic motions that exist over short intervals of time. It is shown how this motion can be extracted from high resolution spectra by doing low resolution studies or by Fourier transforming limited regions of the spectrum. These motions mimic those of periodic orbits (PO) and are inserts into the dominant chaotic motion. Considering these inserts and the PO as a dynamically decoupled region of space, resonant scattering theory and stabilization methods enable us to compute ladders of resonant states which interact with the chaotic quasi-continuum computed in principle from basis sets placed off the PO. The interaction of the resonances with the quasicontinuum explains the low resolution spectra seen in such experiments. It also allows one to associate low resolution features with a particular PO. The motion on the PO thereby supplies the molecular movements whose quantization causes the low resolution spectra. Characteristic properties of the periodic orbit based resonances are discussed. The method is illustrated on the photoabsorption spectrum of the hydrogen atom in a strong magnetic field and on the photodissociation spectrum of H 3 + . Other molecular systems which are currently under investigation using this formalism are also mentioned. 53 refs., 10 figs., 2 tabs

  12. 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.

  13. Temperatures of fragment kinetic energy spectra

    International Nuclear Information System (INIS)

    Bauer, W.

    1995-01-01

    Multifragmentation reactions without large compression in the initial state (proton-induced reactions, reverse kinematics, projectile fragmentation) are examined, and it is verified quantitatively that the high temperatures obtained from fragment kinetic energy spectra and lower temperatures obtained from observables such as level population or isotope ratios can be understood in a common framework

  14. A comparison of floor response spectra techniques

    International Nuclear Information System (INIS)

    Yan, M.J.; Galford, J.E.

    1983-01-01

    Floor response spectra (FRS) conventionally have been generated using a time-history method. Babcock and Wilcox has developed a new technique, the Fast Floor Response Spectra (FFRS) method, in which dynamic analyses are done entirely in the frequency domain. This paper compares the two techniques and demonstrates that the FFRS method complies with the 'equivalency' and 'conservatism' requirements of the US NRC's Standard Review Plan. The upper end of a once-through steam generator in the B and W 205 nuclear steam supply system (NSSS) was used to demonstrate that the FFRS method is equivalent to the time-history technique. The two techniques were compared with respect to frequency content and magnitude of response for a given point on the structure. First, the specified forcing function was described in terms of an acceleration time history and an acceleration spectra enveloping that time history. The time-history forcing function was then used in a direct transient analysis to determine the response at the specified point on the NSSS. The resultant response was subsequently converted to a floor response spectra for that point. To show that the FFRS method gave equivalent and conservative results, the FFRS technique was used to determine the modal response directly from the spectral description of the forcing function. The FFRS- and time-history-generated data agreed to within 13 (worst case on conservative side) of each other with the former cutting analytical costs by 99%. (orig./HP)

  15. Microdosimetric spectra measurements of JANUS neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, I.R.; Williamson, F.S.

    1985-01-01

    Neutron radiation from the JANUS reactor at Argonne National Laboratory is being used with increasing frequency for major biological experiments. The fast neutron spectrum has a Kerma-weighted mean energy of 0.8 MeV and low gamma-ray contamination. In 1984 the JANUS fission converter plate of highly enriched uranium was replaced by one made of low-enriched uranium. We recorded microdosimetric spectra at several different positions in the high-flux irradiation room of JANUS before the change of the converter plate. Each set of measurements consisted of spectra taken at three different site diameters (0.5, 1.0, and 5.0 ..mu..m) and in both ''attenuator up'' and ''attenuator down'' configurations. At two conventional dosimetry reference positions, two sets of measurements were recorded. At three biological reference positions, measurements simulating several biological irradiation conditions, were taken. The dose rate at each position was estimated and compared with dose rates obtained previously by conventional dosimetry. Comparison of the different measurements showed no major change in spectra as a function of position or irradiation condition. First results from similar sets of measurements recorded after the installment of the new converter plate indicate no major change in the spectra. 11 refs., 4 figs., 5 tabs.

  16. Mass Spectra of Tetraselenafulvalenes, Diselenadithiafulvalenes and Tetrathiafulvalenes

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Egsgaard, Helge; Larsen, Elfinn

    1978-01-01

    fragmentation of the molecular ion, as the selenium fulvalenes lose an alkyne molecule, whereas the sulphur fulvalenes first lose an (SĊR) radical. An important feature of the spectra of the simple heterofulvalenes is the formation of a rearrangement ion by migration of a heteroatom. The mechanism...

  17. Analysis of low-intensity scintillation spectra

    International Nuclear Information System (INIS)

    Muravsky, V.; Tolstov, S.A.

    2002-01-01

    The maximum likelihood algorithms for nuclides activities estimation from low intensity scintillation γ-ray spectra have been created. The algorithms treat full energy peaks and Compton parts of spectra, and they are more effective than least squares estimators. The factors that could lead to the bias of activity estimates are taken into account. Theoretical analysis of the problem of choosing the optimal set of initial spectra for the spectrum model to minimize errors of the activities estimation has been carried out for the general case of the N-components with Gaussian or Poisson statistics. The obtained criterion allows to exclude superfluous initial spectra of nuclides from the model. A special calibration procedure for scintillation γ-spectrometers has been developed. This procedure is required for application of the maximum likelihood activity estimators processing all the channels of the scintillation γ-spectrum, including the Compton part. It allows one to take into account the influence of the sample mass density variation. The algorithm for testing the spectrum model adequacy to the processed scintillation spectrum has been developed. The algorithms are realized in Borland Pascal 7 as a library of procedures and functions. The developed library is compatible with Delphi 1.0 and higher versions. It can be used as the algorithmic basis for analysis of highly sensitive scintillation γ- and β-spectrometric devices. (author)

  18. Ultraviolet spectra of Mg in liquid helium

    International Nuclear Information System (INIS)

    Moriwaki, Y.; Morita, N.

    1999-01-01

    Emission and absorption spectra of Mg atoms implanted in liquid helium have been observed in the ultraviolet region. We have presented a model of exciplex formation of Mg-He 10 and found that this model is more suitable for understanding the dynamics in the 3s3p 1 P→3s 21 S transition than the bubble model. (orig.)

  19. Raman spectra of lignin model compounds

    Science.gov (United States)

    Umesh P. Agarwal; Richard S. Reiner; Ashok K. Pandey; Sally A. Ralph; Kolby C. Hirth; Rajai H. Atalla

    2005-01-01

    To fully exploit the value of Raman spectroscopy for analyzing lignins and lignin containing materials, a detailed understanding of lignins’ Raman spectra needs to be achieved. Although advances made thus far have led to significant growth in application of Raman techniques, further developments are needed to improve upon the existing knowledge. Considering that lignin...

  20. Microdosimetric spectra measurements of JANUS neutrons

    International Nuclear Information System (INIS)

    Marshall, I.R.; Williamson, F.S.

    1985-01-01

    Neutron radiation from the JANUS reactor at Argonne National Laboratory is being used with increasing frequency for major biological experiments. The fast neutron spectrum has a Kerma-weighted mean energy of 0.8 MeV and low gamma-ray contamination. In 1984 the JANUS fission converter plate of highly enriched uranium was replaced by one made of low-enriched uranium. We recorded microdosimetric spectra at several different positions in the high-flux irradiation room of JANUS before the change of the converter plate. Each set of measurements consisted of spectra taken at three different site diameters (0.5, 1.0, and 5.0 μm) and in both ''attenuator up'' and ''attenuator down'' configurations. At two conventional dosimetry reference positions, two sets of measurements were recorded. At three biological reference positions, measurements simulating several biological irradiation conditions, were taken. The dose rate at each position was estimated and compared with dose rates obtained previously by conventional dosimetry. Comparison of the different measurements showed no major change in spectra as a function of position or irradiation condition. First results from similar sets of measurements recorded after the installment of the new converter plate indicate no major change in the spectra. 11 refs., 4 figs., 5 tabs

  1. Nuclear Neutrino Spectra in Late Stellar Evolution

    Science.gov (United States)

    Misch, G. Wendell; Sun, Yang; Fuller, George

    2018-05-01

    Neutrinos are the principle carriers of energy in massive stars, beginning from core carbon burning and continuing through core collapse and after the core bounce. In fact, it may be possible to detect neutrinos from nearby pre-supernova stars. Therefore, it is of great interest to understand the neutrino energy spectra from these stars. Leading up to core collapse, beginning around core silicon burning, nuclei become dominant producers of neutrinos, particularly at high neutrino energy, so a systematic study of nuclear neutrino spectra is desirable. We have done such a study, and we present our sd-shell model calculations of nuclear neutrino energy spectra for nuclei in the mass number range A = 21 - 35. Our study includes neutrinos produced by charged lepton capture, charged lepton emission, and neutral current nuclear deexcitation. Previous authors have tabulated the rates of charged current nuclear weak interactions in astrophysical conditions, but the present work expands on this not only by providing neutrino energy spectra, but also by including the heretofore untabulated neutral current de-excitation neutrino pairs.

  2. Variations on supersymmetry breaking and neutrino spectra

    International Nuclear Information System (INIS)

    Borzumati, F.; Hamaguchi, K.; Nomura, Y.; Yanagida, T.

    2000-01-01

    The problem of generating light neutrinos within supersymmetric models is discussed. It is shown that the hierarchy of scales induced by supersymmetry breaking can give rise to suppression factors of the correct order of magnitude to produce experimentally allowed neutrino spectra

  3. Autonomous System Design for Moessbauer Spectra Acquisition

    International Nuclear Information System (INIS)

    Morales, A. L.; Zuluaga, J.; Cely, A.; Tobon, J.

    2001-01-01

    An autonomous system for Moessbauer spectroscopy based in a microcontroller has been designed. A timer of the microcontroller was used to generate the control signal for the Moessbauer linear motor, and a counter for the spectra acquisition. Additionally, the system has its own memory for data storage and a serial port to transmit the data to a computer for its later processing and display

  4. Fitting PAC spectra with a hybrid algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Alves, M. A., E-mail: mauro@sepn.org [Instituto de Aeronautica e Espaco (Brazil); Carbonari, A. W., E-mail: carbonar@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (Brazil)

    2008-01-15

    A hybrid algorithm (HA) that blends features of genetic algorithms (GA) and simulated annealing (SA) was implemented for simultaneous fits of perturbed angular correlation (PAC) spectra. The main characteristic of the HA is the incorporation of a selection criterion based on SA into the basic structure of GA. The results obtained with the HA compare favorably with fits performed with conventional methods.

  5. Classical and quantum molecular dynamics in NMR spectra

    CERN Document Server

    Szymański, Sławomir

    2018-01-01

    The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics NMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As ...

  6. Prediction of flyover jet noise spectra from static tests

    Science.gov (United States)

    Michel, U.; Michalke, A.

    A scaling law for predicting the overall flyover noise of a single stream shock-free circular jet from static experiments is outlined. It is valid for isothermal and hot jets. It assumes that the jet flow and turbulence field are axially stretched in flight. Effects of the boundary layer within the nozzle and along the engine nacelle are neglected. The scaling laws for the power spectral density and spectra with constant relative bandwidth can be derived. In order to compare static and inflight directivities, the far field point relative to the source position must be denoted by the emission angle and the wave normal distance. From the solution of the convective Lighthill equation in a coordinate system fixed to the jet nozzle (wind tunnel case), the power spectral density of sound pressure at a given frequency is found. Predictions for Aerotrain compare well with measured values.

  7. Neutron spectra unfolding with maximum entropy and maximum likelihood

    International Nuclear Information System (INIS)

    Itoh, Shikoh; Tsunoda, Toshiharu

    1989-01-01

    A new unfolding theory has been established on the basis of the maximum entropy principle and the maximum likelihood method. This theory correctly embodies the Poisson statistics of neutron detection, and always brings a positive solution over the whole energy range. Moreover, the theory unifies both problems of overdetermined and of underdetermined. For the latter, the ambiguity in assigning a prior probability, i.e. the initial guess in the Bayesian sense, has become extinct by virtue of the principle. An approximate expression of the covariance matrix for the resultant spectra is also presented. An efficient algorithm to solve the nonlinear system, which appears in the present study, has been established. Results of computer simulation showed the effectiveness of the present theory. (author)

  8. Nonclassical polarization effects in fluorescence emission spectra from microdroplets

    Science.gov (United States)

    Arnold, S.; Goddard, N. L.; Hill, S. C.

    1999-12-01

    We report a pronounced nonclassical polarization effect on the shape of fluorescence emission spectra from isolated microdroplets containing a dilute solution of soluble fluors or a dilute layer of surfactant fluors. We see different spectral shapes for 90° scattering when comparing between IVV, IVH, IHH, IHV. However, we measure the largest difference in spectral shape in the surfactant case, with the incident polarization directed toward the detector (IHV vs IHH). Imaging reveals that the emission in this case principally arises from two distinct regions near the surface of the droplet, which are diametrically opposed and along the axis of the incident laser beam. The effect appears to be the direct result of coupling between molecular emission moments and electromagnetic modes of the droplet. It is not the molecule which radiates but the molecule microvessel. Directional emission is sensitive to the polarization of the electromagnetic mode which is stimulated by the coupling.

  9. Infrared spectra of volatile adduct of uranyl pivaloyltrifluoroacetonate with hexamethylphosphorotriamide

    International Nuclear Information System (INIS)

    Bukhmarina, V.N.; Dushin, R.B.; Sidorenko, G.V.; Suglobov, D.N.

    1983-01-01

    Adduct of uranyl pivaloyltrifluoroacetonate with hexamethylphosphortriamide (1), sublimated without decomposition and characterized by a high thermal stability, has been synthesized, as well as adducts of uranyl dipivaloylmethanate with hexamethylphosphortriamide (2) and dimethyl sulfoxide (3), sublimated with partial dissociation. IR spectra of crystalline adducts 1-3, their solutions in benzene; gaseous and matrix-isolated adduct 1 have been measured. It is shown that in gaseous phase 1 exists practically completely in non-dissociated form. It is detected that uranyl group in crystalline 1 and 2 and in matrix-isolated 1 in contrast to crystalline 3 and previously studied adducts of uranyl β-diketonates has an asymmetric structure. Strength constants of uranyl group in crystalline 1-3 and matrix-isolated 1 are determined

  10. Crystal structure and vibrational spectra of melaminium arsenate

    Science.gov (United States)

    Anbalagan, G.; Marchewka, M. K.; Pawlus, K.; Kanagathara, N.

    2015-01-01

    The crystals of the new melaminium arsenate (MAS) [C3H7N6+ṡH2AsO4-] were obtained by the slow evaporation of an aqueous solution at room temperature. Single crystal X-ray diffraction analysis reveals that the crystal belongs to triclinic system with centro symmetric space group P-1. The crystals are built up from single protonated melaminium residues and single dissociated arsenate H2AsO4- anions. The protonated melaminium ring is almost planar. A combination of ionic and donor-acceptor hydrogen-bond interactions linking together the melaminium and arsenate residues forms a three-dimensional network. Vibrational spectroscopic analysis is reported on the basis of FT-IR and FT-Raman spectra recorded at room temperature. Hydrogen bonded network present in the crystal gives notable vibrational effect. DSC has also been performed for the crystal shows no phase transition in the studied temperature range (113-293 K).

  11. 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

  12. 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.

  13. Spectroscopic Characterization of HAN-Based Liquid Gun Propellants and Nitrate Salt Solutions

    Science.gov (United States)

    1989-01-15

    spectra were recorded of bubbles of a concentrated aqueous nitrate solution, mineral oil, and an aqueous surfactant solution. Polymethacrylic acid ...FTIR spectra of droplets of a concentrated aqueous nitrate salt based solution (LGP1845), of solid particles cf polymethacrylic acid packing IO, 3... polymethacrylic acid low density packing foam cut to a 3x4 mnn rectangle was levitated with a low acoustic power. The sample was easily I positioned in the

  14. Characterization of ESIPT reactions with instant spectra of fluorescence and complexation processes

    International Nuclear Information System (INIS)

    Tomin, Vladimir I.; Ushakou, Dzmitryi V.

    2016-01-01

    Proton transfer processes and especially excited-state intramolecular proton transfer (ESIPT) are of interest not only in physical studies but in a wide range of biological and chemical researches, since they play an important role in different fundamental reactions. Moreover, occurrence of ESIPT very often causes two-bands emission spectra corresponding to the normal and photoproduct (tautomer) forms of molecular structure. It allows carrying out unique measurement of microcharacteristics in chemical and biological researches by using substances with ESIPT as molecular probes, because its dual emission is very sensitive to parameters of microenvironment. Dual fluorescence signal is very convenient for two wavelength ratiometric measurements as they are more sensitive to variations of sample characteristics. Recently new approach for revealing type of excited state reaction which is based on analysis of dynamic changes of relative intensities in instant spectra of fluorescence ESIPT solutes was suggested and tested for neat solutions. Now we generalize this method on solutions in which ESIPT solute may participate also in creating fluorescent complexes. We demonstrate that relative intensities of instant spectra of fluorescence registered with high time resolution allow to get valuable information referring to type of excited state reaction in which dye may undergo complexation reactions with ions in solvent. In addition we show how it is possible in such case to determine characteristics of complexation as, for example, stability constant and efficiency of complexation.

  15. Observational and theoretical spectra of supernovae

    Science.gov (United States)

    Wheeler, J. Craig; Swartz, Douglas A.; Harkness, Robert P.

    1993-05-01

    Progress in nuclear astrophysics by means of quantitative supernova spectroscopy is discussed with special concentration on type Ia, Ib and Ic and on SN 1987A. Spectral calculations continue to support an exploding C/O white dwarf as the best model of a SN Ia. Deflagration model W7 produces good maximum light spectra of SN Ia and seems to have a better composition distribution compared to delayed detonation models, but proper treatment of opacity remains a problem and the physical basis of SN Ia explosions is still not completely understood. All models for SN Ia predict large quantities of 56Co in the ejecta, but it is not clear that observations confirm this. Although the evolutionary origin of SN Ia remains uncertain, there is recent evidence that transfer of hydrogen in a binary system may be involved, as long suspected. There has been progress in comparing dynamical models with the optical/IR spectra of SN 1987A. The evolution of the [OI] λλ6300, 6364 feature and the presence of strong persistent HeI λ10 830 indicate that both the envelope and core material contribute substantially to the formation of emission lines in the nebular phase and that neither the core nor the envelope can be neglected. Blending with nearby hydrogen lines may affect both of these spectral features, thereby complicating the analysis of the lines. The effects of continuum transfer and photoionization have been included and are under study. The discrepancies between theoretical and observed spectra are due primarily to the one-dimensional hydrodynamic models. The spectral data are not consistent with the high density ``spike'' (in radial coordinate) of the core material that is predicted by all such models. Analysis of the light curves of SN Ib and SN Ic supernovae implies that there are significant differences in their physical properties. Some SN Ib have considerably more ejecta mass than SN Ic events. SN Ib require He-rich atmospheres to produce the observed strong optical lines of

  16. Formation and disappearance of superoxide radicals in aqueous solutions

    International Nuclear Information System (INIS)

    Allen, A.O.; Bielski, B.H.J.

    1980-01-01

    A literature review of superoxide radicals in aqueous solutions is presented covering the following: history; methods of formation of aqueous HO 2 /HO 2 - by radiolysis and photolysis, electrolysis, mixing nonaqueous solutions into water, chemical reactions, enzymatic generation of O 2 - , and photosensitization; and properties of HO 2 /O 2 - in aqueous solution, which cover spontaneous dismutation rates, pk and absorption spectra, catalyzed dismutation, thermodynamics and the so-called Haber-Weiss Reaction

  17. Radiolysis studies of uranyl nitrate solution in nitric acid medium

    International Nuclear Information System (INIS)

    Siri, Sandra; Mondino, Angel V.

    2005-01-01

    The radiolysis of acidic uranyl nitrate solutions was investigated using Co-60 gamma radiation. Hydrogen peroxide was determined as a function of increasing dose. The UV-vis absorption spectra of the irradiated solutions were measured and the spectral changes were analyzed. The increasing dose increases the absorbance intensities, possibly by an increment in nitrate concentration produced by radiolysis, which can originate the formation of different uranyl complexes in solution. (author)

  18. 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

  19. Measurement of neutron spectra in varied environments by the foil-activation method with arbitrary trials

    International Nuclear Information System (INIS)

    Kelly, J.G.; Vehar, D.W.

    1987-12-01

    Neutron spectra have been measured by the foil-activation method in 13 different environments in and around the Sandia Pulsed Reactor, the White Sands Missile Range Fast Burst Reactor, and the Sandia Annular Core Research Reactor. The spectra were obtained by using the SANDII code in a manner that was not dependent on the initial trial. This altered technique is better suited for the determination of spectra in environments that are difficult to predict by calculation, and it tends to reveal features that may be biased out by the use of standard trial-dependent methods. For some of the configurations, studies have also been made of how well the solution is determined in each energy region. The experimental methods and the techniques used in the analyses are thoroughly explained. 34 refs., 51 figs., 40 tabs

  20. Optical spectra of vanadium (5, 4) compounds during extraction by di-2-ethylhexylphosphoric acid

    International Nuclear Information System (INIS)

    Kurbatova, L.D.; Medvedeva, N.I.

    2000-01-01

    Optical spectra of vanadium (5, 4) complexes with HDEHP are studied using literature data on quantum-chemical calculations of vanadium (5) and vanadium (4) oxides. Extraction of vanadium is conducted by undiluted HDEHP from sulfuric acid solutions. Absorption electron spectra (AES) of vanadium (5), vanadium (4) and vanadium (5, 4) compounds are presented. In AES of vanadium (5, 4) four absorption bands at 24000, 17000, 14500 and 13500 cm -1 appear. Comparison with spectra of vanadium (5) and vanadium (4) shows that band 17000 cm -1 which appears only during mutual extraction of vanadium (5) and vanadium (4) is caused by transitions appearing between filled and empty levels of d-zone broadened by vanadium (5) and vanadium (4) interaction [ru

  1. Calculation of quantum-mechanical system energy spectra using path integrals

    International Nuclear Information System (INIS)

    Evseev, A.M.; Dmitriev, V.P.

    1977-01-01

    A solution of the Feynman quantum-mechanical integral connecting a wave function (psi (x, t)) at a moment t+tau (tau → 0) with the wave function at the moment t is provided by complex variable substitution and subsequent path integration. Time dependence of the wave function is calculated by the Monte Carlo method. The Fourier inverse transformation of the wave function by path integration calculated has been applied to determine the energy spectra. Energy spectra are presented of a hydrogen atom derived from wave function psi (x, t) at different x, as well as boson energy spectra of He, Li, and Be atoms obtained from psi (x, t) at X = O

  2. 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)

  3. 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)

  4. Raman spectra of filled carbon nanotubes

    International Nuclear Information System (INIS)

    Bose, S.M.; Behera, S.N.; Sarangi, S.N.; Entel, P.

    2004-01-01

    The Raman spectra of a metallic carbon nanotube filled with atoms or molecules have been investigated theoretically. It is found that there will be a three way splitting of the main Raman lines due to the interaction of the nanotube phonon with the collective excitations (plasmons) of the conduction electrons of the nanotube as well as its coupling with the phonon of the filling material. The positions and relative strengths of these Raman peaks depend on the strength of the electron-phonon interaction, phonon frequency of the filling atom and the strength of interaction of the nanotube phonon and the phonon of the filling atoms. Careful experimental studies of the Raman spectra of filled nanotubes should show these three peaks. It is also shown that in a semiconducting nanotube the Raman line will split into two and should be observed experimentally

  5. 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...

  6. Benchmarking statistical averaging of spectra with HULLAC

    Science.gov (United States)

    Klapisch, Marcel; Busquet, Michel

    2008-11-01

    Knowledge of radiative properties of hot plasmas is important for ICF, astrophysics, etc When mid-Z or high-Z elements are present, the spectra are so complex that one commonly uses statistically averaged description of atomic systems [1]. In a recent experiment on Fe[2], performed under controlled conditions, high resolution transmission spectra were obtained. The new version of HULLAC [3] allows the use of the same model with different levels of details/averaging. We will take advantage of this feature to check the effect of averaging with comparison with experiment. [1] A Bar-Shalom, J Oreg, and M Klapisch, J. Quant. Spectros. Rad. Transf. 65, 43 (2000). [2] J. E. Bailey, G. A. Rochau, C. A. Iglesias et al., Phys. Rev. Lett. 99, 265002-4 (2007). [3]. M. Klapisch, M. Busquet, and A. Bar-Shalom, AIP Conference Proceedings 926, 206-15 (2007).

  7. The new NIST atomic spectra database

    International Nuclear Information System (INIS)

    Kelleher, D.E.; Martin, W.C.; Wiese, W.L.; Sugar, J.; Fuhr, J.R.; Olsen, K.; Musgrove, A.; Mohr, P.J.; Reader, J.; Dalton, G.R.

    1999-01-01

    The new atomic spectra database (ASD), Version 2.0, of the National Institute of Standards and Technology (NIST) contains significantly more data and covers a wider range of atomic and ionic transitions and energy levels than earlier versions. All data are integrated. It also has a new user interface and search engine. ASD contains spectral reference data which have been critically evaluated and compiled by NIST. Version 2.0 contains data on 900 spectra, with about 70000 energy levels and 91000 lines ranging from about 1 Aangstroem to 200 micrometers, roughly half of which have transition probabilities with estimated uncertainties. References to the NIST compilations and original data sources are listed in the ASD bibliography. A detailed ''Help'' file serves as a user's manual, and full search and filter capabilities are provided. (orig.)

  8. Graphics based PC analysis of alpha spectra

    International Nuclear Information System (INIS)

    Chapman, T.C.

    1991-01-01

    New personal computer (PC) software performs interactive analysis of alpha spectra using EGA graphics. Spectra are collected with a commercial MCA board and analyzed using the software described here. The operator is required to approve each peak integration area before analysis proceeds. Sample analysis can use detector efficiencies or spike yields or both. Background corrections are made and upper limit values are calculated when specified. Nuclide identification uses a library of up to 64 nuclides with up to 8 alpha lines for each nuclide. Any one of 32 subset libraries can be used in an analysis. Analysis time is short and is limited by interaction with the operator, not by calculation time. Utilities include nuclide library editing, library subset editing, energy calibration, efficiency calibration, and background update

  9. Predicting transmittance spectra of electrophotographic color prints

    Science.gov (United States)

    Mourad, Safer; Emmel, Patrick; Hersch, Roger D.

    2000-12-01

    For dry toner electrophotographic color printers, we present a numerical simulation model describing the color printer responses based on a physical characterization of the different electrophotographic process steps. The proposed model introduces a Cross Transfer Efficiency designed to predict the color transmittance spectra of multi-color prints by taking into account the transfer influence of each deposited color toner layer upon the other layers. The simulation model leads to a better understanding of the factors that have an impact on printing quality. In order to avoid the additional optical non-linearities produced by light reflection on paper, we have limited the present investigation to transparency prints. The proposed model succeeded to predict the transmittance spectra of printed wedges combining two color toner layers with a mean deviation less than CIE-LAB (Delta) E equals 2.5.

  10. Measurement and interpretation of plutonium spectra

    International Nuclear Information System (INIS)

    Blaise, J.; Fred, M.S.; Carnall, W.T.; Crosswhite, H.M.; Crosswhite, H.

    1982-01-01

    The atomic spectroscopic data available for plutonium are among the rickest of any in the periodic system. They include high-resolution grating and Fourier-transform spectra as well as extensive Zeeman and isotope-shift studies. We summarize the present status of the term analysis and cite the configurations that have been identified. A least-squares adjustment of a parametric Hamiltonian for configurations of both Pu I and Pu II has shown that almost all of the expected low levels are now known. The use of a model Hamiltonian applicable to both lanthanide and actinide atomic species has been applied to the low configurations of Pu I and Pu II making use of trends predicted by ab initio calculations. This same model has been used to describe the energy levels of Pu 3+ in LaCl 3 , and an extension has permitted preliminary calculations of the spectra of other valence states

  11. The XUV spectra of highly ionised molybdenum

    International Nuclear Information System (INIS)

    Mansfield, M.W.D.; Peacock, N.J.; Smith, C.C.; Hobby, M.G.; Cowan, R.D.

    1978-01-01

    The spectra of molybdenum ions produced in Tokamaks in the wavelength range 10-200 A have been reproduced in a plasma formed by laser beam irradiation of solid molybdenum targets. Lines from highly ionised stages of molybdenum (Mo XXX to Mo XXXII) have been distinguished by varying the laser beam intensity. Detailed analyses of the simpler ions, Mo XV (Ni-like), Mo XVI (Co-like), Mo XXXII (Na-like), and to a lesser extent Mo XXXI (Mg-like) and Mo XVII (Fe-like), have been achieved by comparison with ab initio calculations. A general interpretation of intermediate ion stages is also given but it is shown that most of these spectra are so complex, as a result of inner-subshell excitation, that detailed term-scheme analyses are nearly impossible. (author)

  12. 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)

  13. Hadronic spectra from collisions of heavy nuclei

    International Nuclear Information System (INIS)

    Jacobs, P.

    1997-03-01

    Hadronic spectra from collisions of heavy ions at ultrarelativistic energies are discussed, concentrating on recent measurements at the SPS of central Pb+Pb collisions at 158 GeV/nucleon, which are compared to collisions of lighter ions and at lower beam energies. Baryon stopping is seen to be larger for heavier systems and lower energies. Total yields of pions and kaons scale with the number of participants in central collisions at the SPS; in particular, the K/π ratio is constant between central S+S and Pb+Pb at the SPS. Transverse mass spectra indicate significantly larger radial flow for the heavier systems. At midrapidity, an enhancement of - >/ + > and - >/ + > at low P T are best explained by final state Coulomb interaction with the residual charge of the fireball

  14. 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.

  15. XUV spectra of highly ionised molybdenum

    Energy Technology Data Exchange (ETDEWEB)

    Mansfield, M W.D.; Peacock, N J; Smith, C C; Hobby, M G [UKAEA, Abingdon. Culham Lab.; Cowan, R D

    1978-05-14

    The spectra of molybdenum ions produced in Tokamaks in the wavelength range 10-200 A have been reproduced in a plasma formed by laser beam irradiation of solid molybdenum targets. Lines from highly ionised stages of molybdenum (Mo XXX to Mo XXXII) have been distinguished by varying the laser beam intensity. Detailed analyses of the simpler ions, Mo XV (Ni-like), Mo XVI (Co-like), Mo XXXII (Na-like), and to a lesser extent Mo XXXI (Mg-like) and Mo XVII (Fe-like), have been achieved by comparison with ab initio calculations. A general interpretation of intermediate ion stages is also given but it is shown that most of these spectra are so complex, as a result of inner-subshell excitation, that detailed term-scheme analyses are nearly impossible.

  16. 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

  17. 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)

  18. Fourier evaluation of broad Moessbauer spectra

    International Nuclear Information System (INIS)

    Vincze, I.

    1981-09-01

    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 covering the case of amorphous magnetic and paramagnetic iron-based alloys are presented. (author)

  19. Ghost lines in Moessbauer relaxation spectra

    International Nuclear Information System (INIS)

    Price, D.C.

    1985-01-01

    The appearance in Moessbauer relaxation spectra of 'ghost' lines, which are narrow lines that do not correspond to transitions between real hyperfine energy levels of the resonant system, is examined. It is shown that in many cases of interest, the appearance of these 'ghost' lines can be interpreted in terms of the relaxational averaging of one or more of the static interactions of the ion. (orig.)

  20. Automation of the Analysis of Moessbauer Spectra

    International Nuclear Information System (INIS)

    Souza, Paulo A. de Jr.; Garg, R.; Garg, V. K.

    1998-01-01

    In the present report we propose the automation of least square fitting of Moessbauer spectra, the identification of the substance, its crystal structure and the access to the references with the help of a genetic algorith, Fuzzy logic, and the artificial neural network associated with a databank of Moessbauer parameters and references. This system could be useful for specialists and non-specialists, in industry as well as in research laboratories

  1. Electronic spectra of astrophysically interesting cations

    Energy Technology Data Exchange (ETDEWEB)

    Maier, John P., E-mail: j.p.maier@unibas.ch; Rice, Corey A., E-mail: j.p.maier@unibas.ch; Mazzotti, Fabio J., E-mail: j.p.maier@unibas.ch; Johnson, Anatoly, E-mail: j.p.maier@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstr. 80, CH-4056 Basel (Switzerland)

    2015-01-22

    The electronic spectra of polyacetylene cations were recorded at 20K in the laboratory in an ion trap instrument. These can then be compared with diffuse interstellar band (DIB) absorptions. Examination of recently published data shows that the attribution of a weak DIB at ∼506.9 nm to diacetylene cation is not justified. Study of the higher excited electronic states of polyacetylene cations shows that their widths can still be sufficiently narrow for consideration as DIB carriers.

  2. 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.

  3. 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.

  4. MAGNETIC ENERGY SPECTRA IN SOLAR ACTIVE REGIONS

    International Nuclear Information System (INIS)

    Abramenko, Valentyna; Yurchyshyn, Vasyl

    2010-01-01

    Line-of-sight magnetograms for 217 active regions (ARs) with different flare rates observed at the solar disk center from 1997 January until 2006 December are utilized to study the turbulence regime and its relationship to flare productivity. Data from the SOHO/MDI instrument recorded in the high-resolution mode and data from the BBSO magnetograph were used. The turbulence regime was probed via magnetic energy spectra and magnetic dissipation spectra. We found steeper energy spectra for ARs with higher flare productivity. We also report that both the power index, α, of the energy spectrum, E(k) ∼ k -α , and the total spectral energy, W = ∫E(k)dk, are comparably correlated with the flare index, A, of an AR. The correlations are found to be stronger than those found between the flare index and the total unsigned flux. The flare index for an AR can be estimated based on measurements of α and W as A = 10 b (αW) c , with b = -7.92 ± 0.58 and c = 1.85 ± 0.13. We found that the regime of the fully developed turbulence occurs in decaying ARs and in emerging ARs (at the very early stage of emergence). Well-developed ARs display underdeveloped turbulence with strong magnetic dissipation at all scales.

  5. 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.

  6. Secondary charged particle spectra and kerma calculations

    International Nuclear Information System (INIS)

    Coyne, J.J.; Gerstenberg, H.M.; Hennen, L.A.

    1985-01-01

    The calculation of kerma factors from known cross sections is not as simple as is often implied. The kerma factors are strongly influenced by the reaction mechanism assumed. An important example of this dependence on the reaction mechanism is the contribution of the 12 C(n,n')3α reaction to the total kerma in carbon. First, a short review will be given of the ENDF/B-V carbon cross sections which were used in the calculation of carbon kerma factors. Using the reaction channels implied in the ENDF/B-V evaluation, the contribution of various reactions to the total kerma factors in carbon will be given. A detailed analysis of the reaction mechanisms which could contribute to the (n,n')3α reaction in carbon has been carried out. First their contribution to kerma, independent of cross section, will be calculated and then the initial spectra of alpha particles produced by the various reaction mechanisms will be given. A discussion of possible ways of experimentally distinguishing the reaction mechanisms will be made by comparing their different initial spectra and their variation in kerma with neutron energy. Finally, the event-size spectra for tissue-equivalent proportional counters will be presented, giving only the contributions from the (n,n')3α reaction and its various possible reaction channels. 3 refs., 11 figs., 4 tabs

  7. Optical spectra analysis for breast cancer diagnostics

    Science.gov (United States)

    Belkov, S. A.; Kochemasov, G. G.; Lyubynskaya, T. E.; Maslov, N. V.; Nuzhny, A. S.; da Silva, L. B.; Rubenchik, A.

    2011-11-01

    Minimally invasive probe and optical biopsy system based on optical spectra recording and analysis seem to be a promising tool for early diagnostics of breast cancer. Light scattering and absorption spectra are generated continuously as far as the needle-like probe with one emitting and several collecting optical fibers penetrates through the tissues toward to the suspicious area. That allows analyzing not only the state of local site, but also the structure of tissues along the needle trace. The suggested method has the advantages of automated on-line diagnosing and minimal tissue destruction and in parallel with the conventional diagnostic procedures provides the ground for decision-making. 165 medical trials were completed in Nizhny Novgorod Regional Oncology Centre, Russia. Independent diagnoses were the results of fine biopsy and histology. Application of wavelet expansion and clasterization techniques for spectra analysis revealed several main spectral types for malignant and benign tumors. Automatic classification algorithm demonstrated specificity ˜90% and sensitivity ˜91%. Large amount of information, fuzziness in criteria and data noisiness make neural networks to be an attractive analytic tool. The model based on three-layer perceptron was tested over the sample of 29 `cancer' and 29 `non-cancer' cases and demonstrated total separation.

  8. Fluorescence spectra of bithiophene and terthiophene single crystals and of their isolated molecules in cyclodextrin

    International Nuclear Information System (INIS)

    Gombojav, Bold; Namsrai, Nasanbat; Yoshinari, Takehisa; Nagasaka, Shin-ichiro; Itoh, Hiroki; Koyama, Kiyohito

    2004-01-01

    In order to examine the effect of subsumption space of β- and γ-cyclodextrin (CyD) on the photophysics of oligothiophenes, 2, 2'-bithiophene (BT) and 2, 2': 5', 2''-terthiophene (TT), the fluorescence spectra were compared with those of the single crystals (SC) at 15, 77 K and room temperature (RT). Both the numbers of BT included in β- and γ-CyD are twin (BT 2 ). The numbers of TT included in β- and γ-CyD are unit (TT 1 ) and twin (TT 2 ), respectively. Electronic excitation of BT encapsulated in β- and γ-CyD gives similar fluorescence spectra, showing bathochromic shift compared with that of BT single crystal, (BT) SC . The observation that the fluorescence spectra of encapsulated BT 2 are similar to the spectra of its THF solution suggests the configuration of BT 2 in β- and γ-CyD should be face-to-face configuration (BT 2 ) parrallel . On the contrary, TT in β- and in γ-CyD afford quite different fluorescence spectra. Encapsulated TT in β-CyD exhibits the hypsochromic shift of fluorescence maxima compared to that of TT single crystal, (TT) SC . While the bathochromically shifted fluorescence spectra of TT 2 in γ-CyD is also ascribed to the face-to-face configuration (TT 2 ) parallel as in the case of BT 2 in γ-CyD. Fluorescence spectra show the excited ground state complex of BT 2 and TT 2 in γ-CyD

  9. Using Separable Nonnegative Matrix Factorization Techniques for the Analysis of Time-Resolved Raman Spectra

    Science.gov (United States)

    Luce, R.; Hildebrandt, P.; Kuhlmann, U.; Liesen, J.

    2016-09-01

    The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the component spectra and the rate constants simultaneously from a series of vibrational spectra. It is based on an algorithm for non-negative matrix factorization which is applied to the experimental data set following a few pre-processing steps. As a prerequisite for physically unambiguous solutions, each component spectrum must include one vibrational band that does not significantly interfere with vibrational bands of other species. The approach is applied to synthetic "experimental" spectra derived from model systems comprising a set of species with component spectra differing with respect to their degree of spectral interferences and signal-to-noise ratios. In each case, the species involved are connected via monomolecular reaction pathways. The potential and limitations of the approach for recovering the respective rate constants and component spectra are discussed.

  10. Speciation of Pu(4) complexes with weak ligands from visible spectra

    International Nuclear Information System (INIS)

    Berg, J.M.; Veirs, D.K.

    2001-01-01

    Stoichiometries of early actinide metal ion complexes in solution equilibrium can sometimes be determined by modelling the dependence of a species-sensitive measurement on ligand concentration. Weak ligands present the additional problem that these measurements cannot be made in the simplifying limiting case of low ligand concentration relative to the background electrolyte. At high ligand concentrations, constant ionic strength no longer implies constant activity coefficients. Additional parameters must be included in the equilibrium model to account for the variation of activity coefficients with ligand concentration as well as with overall ionic strength. We present the formalism of such a model based on SIT theory and its implementation for simultaneous fitting of spectra over a wide range of ionic strengths. As a test case, we analyse a subset of the spectra we have collected on complexation of Pu(IV) by nitrate in aqueous acid solutions. (authors)

  11. Synthesis of 2-phosphaadamantane derivatives

    International Nuclear Information System (INIS)

    Zemlyanoi, V.N.; Aleksandrov, A.M.; Kukhar', V.P.

    1986-01-01

    The authors describe the synthesis and properties of 2-phosphadamantane derivatives. For the synthesis of 2-phosphaadamantane derivatives they decided to use the methodology of the synthesis of 2-thiaadamantane. The IR spectra were determined on CHCl 3 solutions with a Specord 711R spectrometer, the PMR spectra were determined on Tesla BS-467 (60 MHz) and Bruker WP-200 (200 MHz) spectrometers, external standard hexamethyldisiloxane, the 31 P NMR spectra were determined on Tesla BS-487 C (30 MHz) and Bruker WP-200 (81 MHz) spectrometers, external standard 85% phosphoric acid, and the mass spectra were determined on an MS-1302 spectrometer

  12. Influence of temperature on water and aqueous glucose absorption spectra in the near- and mid-infrared regions at physiologically relevant temperatures

    DEFF Research Database (Denmark)

    Jensen, P.S.; Bak, J.; Andersson-Engels, S.

    2003-01-01

    transmission cell controlled within 0.02 degreesC. Pathlengths of 50 mum and 0.4 mm were used in the mid- and near-infrared spectral region, respectively. Difference spectra were used to determine the effect of temperature on the water spectra quantitatively. These spectra were obtained by subtracting the 37...... degreesC water spectrum from the spectra measured at other temperatures. The difference spectra reveal that the effect of temperature is highest in the vicinity of the strong absorption bands, with a number of isosbestic points with no temperature dependence and relatively flat plateaus in between......Near- and mid-infrared absorption spectra of pure water and aqueous 1.0 g/dL glucose solutions in the wavenumber range 8000-950 cm(-1) were measured in the temperature range 30-42 C in steps of 2 degreesC. Measurements were carried out with an FT-IR spectrometer and a variable pathlength...

  13. MODESTY, Statistical Reaction Cross-Sections and Particle Spectra in Decay Chain

    International Nuclear Information System (INIS)

    Mattes, W.

    1977-01-01

    1 - Nature of the physical problem solved: Code MODESTY calculates all energetically possible reaction cross sections and particle spectra within a nuclear decay chain. 2 - Method of solution: It is based on the statistical nuclear model following the method of Uhl (reference 1) where the optical model is used in the calculation of partial widths and the Blatt-Weisskopf single particle model for gamma rays

  14. Spectra of luminescence due to microdischarges on an aluminum valve anode

    International Nuclear Information System (INIS)

    Sizikov, A.M.; Vol'f, V.G.; Bugaenko, L.T.

    1995-01-01

    The spectrum of visible and near-UV luminescence due to a microdischarge on an AMg-6 aluminum alloy was studied under conditions of valve anodization in solutions of sodium carbonate and other electrolytes. It was shown that emission spectra exhibit lines that characterize anodic (aluminum and magnesium) and electrolytic (sodium) components. The dependence of the temperature of the microdischarge on the electrolyte concentration and composition is discussed

  15. Optical properties and energy spectra of donors in Gasub(x)Insub(1-x)P

    International Nuclear Information System (INIS)

    Berndt, V.; Kopylov, A.A.; Pikhtin, A.N.

    1977-01-01

    Impurity optical absorption is studied in n-Gasub(x)Insub(1-x)P for compositions with indirect band structure. For the first time the photoionization bands of shallow donor centers have been observed in semiconductor solid solutions. Analysis of spectra has shown the electron transitions to excited states of donor to contribute considerably to absorption. A simple theoretical model is presented to explain the shift of ionization energy of silicon donor and the variation in shape of the impurity absorption band

  16. 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)

  17. Time-of-flight neutron spectra measurements in Zenith

    Energy Technology Data Exchange (ETDEWEB)

    Barclay, F R; Coates, M S; Diment, K M; Durrani, S A; Gayther, D B; Poole, M J; Reed, D L

    1962-01-15

    Neutron spectra in the second core loading of ZENITH have been measured using a neutron chopper. Spectra at two positions in the reactore core were obtained over a range of temperatures extending to 650 deg C.

  18. Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

    International Nuclear Information System (INIS)

    Brainerd, J.J.

    1987-01-01

    Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts. 13 references

  19. 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)

  20. Study on Moessbauer spectra of hemoglobin in thalassemia

    International Nuclear Information System (INIS)

    Guo Xuanhui; Zhao Nanming; Zhang Xiufang

    1988-01-01

    The 57 Fe Moessbauer 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. (orig.)

  1. 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.

  2. 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)

  3. Theoretical microcontact spectra of metal electron-phonon coupling

    International Nuclear Information System (INIS)

    Kulagina, T.N.; Zhernov, A.P.

    1987-01-01

    Theoretical and experimental microcontact spectra of simple and certain transition metals are discussed. The Eliashberg thermodynamic functions for the metals are considered, as well as correlations between spectra peculiarities and parameters of metals and microbridge models

  4. RICKI, Interactive Gamma Spectra Unfolding with Isotope Identification

    International Nuclear Information System (INIS)

    Proctor, A.E.

    1990-01-01

    1 - Description of program or function: RICKI is an interactive program for analysis of gamma spectra containing one or more peaks with possible multiplets. Algorithms are incorporated for peak fitting, analysis, and nuclide identification. Comprehensive output keeps the user informed of the analysis as it proceeds and presents the results. User-selectable options for plotting and neutron activation analysis are available to control this analysis. RICKI was developed to analyze spectra from examinations of severe fuel damage specimens. Two features included to streamline the analysis of Three Mile Island (TMI) core bore data are the edit of averaged activities and the output file created for generating a spreadsheet. Activity editing allows the user to select which gamma lines are used for a specific nuclide in average activity calculations. Contributions from peak areas which result from overlapping lines of two or more nuclides may be removed. For each averaged activity an edited activity file record is written containing the nuclide name, averaged activity, activity standard deviation, scan start position, and scan end position. 2 - Method of solution: The peak search algorithm utilizes an optimized second derivative filter for efficient and reliable determination of peak location. A linear Gaussian fitting technique, which is a modified version of Mukoyama's linear least squares fitting method in which the centroid, sigma, and peak height are free parameters, is used to calculate peak areas. An estimated background is computed for each peak using Gunnink's method. Nuclide activities are computed by matching centroids with nuclide library entries and averaging the activity calculated for each matching peak. 3 - Restrictions on the complexity of the problem - Maxima of: 500 gamma library entries, 80 peaks/spectrum

  5. Modeling Blazar Spectra by Solving an Electron Transport Equation

    Science.gov (United States)

    Lewis, Tiffany; Finke, Justin; Becker, Peter A.

    2018-01-01

    Blazars are luminous active galaxies across the entire electromagnetic spectrum, but the spectral formation mechanisms, especially the particle acceleration, in these sources are not well understood. We develop a new theoretical model for simulating blazar spectra using a self-consistent electron number distribution. Specifically, we solve the particle transport equation considering shock acceleration, adiabatic expansion, stochastic acceleration due to MHD waves, Bohm diffusive particle escape, synchrotron radiation, and Compton radiation, where we implement the full Compton cross-section for seed photons from the accretion disk, the dust torus, and 26 individual broad lines. We used a modified Runge-Kutta method to solve the 2nd order equation, including development of a new mathematical method for normalizing stiff steady-state ordinary differential equations. We show that our self-consistent, transport-based blazar model can qualitatively fit the IR through Fermi g-ray data for 3C 279, with a single-zone, leptonic configuration. We use the solution for the electron distribution to calculate multi-wavelength SED spectra for 3C 279. We calculate the particle and magnetic field energy densities, which suggest that the emitting region is not always in equipartition (a common assumption), but sometimes matter dominated. The stratified broad line region (based on ratios in quasar reverberation mapping, and thus adding no free parameters) improves our estimate of the location of the emitting region, increasing it by ~5x. Our model provides a novel view into the physics at play in blazar jets, especially the relative strength of the shock and stochastic acceleration, where our model is well suited to distinguish between these processes, and we find that the latter tends to dominate.

  6. Development of site specific response spectra

    International Nuclear Information System (INIS)

    Bernreuter, D.L.; Chen, J.C.; Savy, J.B.

    1987-03-01

    For a number of years the US Nuclear Regulatory Commission (NRC) has employed site specific spectra (SSSP) in their evaluation of the adequacy of the Safe Shutdown Earthquake (SSE). These spectra were developed only from the spectra of the horizontal components of the ground motion and from a very limited data set. As the data set has considerably increased for Eastern North America (ENA) and as more relevant data has become available from earthquakes occurring in other parts of the world (e.g., Italy), together with the fact that recent data indicated the importance of the vertical component, it became clear that an update of the SSSP's for ENA was desirable. The methodology used in this study is similar to the previous ones in that it used actual earthquake ground motion data with magnitudes within a certain range and recorded at distances and at sites similar to those that would be chosen for the definition of an SSE. An extensive analysis of the origin and size of the uncertainty is an important part of this study. The results of this analysis of the uncertainties is used to develop criteria for selecting the earthquake records to be used in the derivation of the SSSP's. We concluded that the SSSPs were not very sensitive to the distribution of the source to site distance of the earthquake records used in the analysis. That is, the variability (uncertainty) introduced by the range of distances was relatively small compared to the variability introduced by other factors. We also concluded that the SSSP are somewhat sensitive to the distribution of the magnitudes of these earthquakes, particularly at rock sites and, by inference, at shallow soil sites. We found that one important criterion in selecting records to generate SSSP is the depth of soil at the site

  7. 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.

  8. 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.

  9. 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

  10. Maximum entropy decomposition of quadrupole mass spectra

    International Nuclear Information System (INIS)

    Toussaint, U. von; Dose, V.; Golan, A.

    2004-01-01

    We present an information-theoretic method called generalized maximum entropy (GME) for decomposing mass spectra of gas mixtures from noisy measurements. In this GME approach to the noisy, underdetermined inverse problem, the joint entropies of concentration, cracking, and noise probabilities are maximized subject to the measured data. This provides a robust estimation for the unknown cracking patterns and the concentrations of the contributing molecules. The method is applied to mass spectroscopic data of hydrocarbons, and the estimates are compared with those received from a Bayesian approach. We show that the GME method is efficient and is computationally fast

  11. Spectra from foil-excited molybdenum ions

    International Nuclear Information System (INIS)

    Johnson, B.M.; Jones, K.W.; Cecchi, J.L.; Kruse, T.H.

    1978-01-01

    The extreme-ultraviolet spectra (5 to 55 nm) for foil-excited molybdenum ions have been measured using 22 to 200 MeV beams from the Brookhaven National Laboratory MP tandem Van de Graaff accelerator facility, 20 μg/cm 2 C stripping foils, and a grazing incidence spectrometer. The mean ion charge states (13 to 28) and the narrow distribution widths (about 2 charge states) were accurately predictable from experimental parameters. Where possible, comparisons are given with Mo radiation from tokamaks, vacuum sparks, and laser-excited plasmas

  12. Perturbative description of inclusive energy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Lupia, S. [Max-Planck-Institut fuer Physik, Muenchen (Germany). Werner-Heisenberg-Institut

    1996-03-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d{sup 3}p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.).

  13. Perturbative description of inclusive energy spectra

    International Nuclear Information System (INIS)

    Lupia, S.

    1996-01-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d 3 p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.)

  14. Process and apparatus for determining molecular spectra

    International Nuclear Information System (INIS)

    Boesl, U.; Neusser, H.J.; Schlag, E.W.

    1984-01-01

    A process for determining molecular spectra in unseparated mixtures, in particular unseparated isotopic mixtures, which comprises allowing said mixture to successively flow through a photoreactor which is irradiated by an adjustable-wavelength laser and then through a mass spectrometer wherein the concentration of particles of specified mass is determined by variation of the wavelength of the laser or variation of the mass setting of the mass spectrometer in such a manner that a two-dimensional spectrum results having the parameters of wavelength and mass

  15. Multifractal spectra in homogeneous shear flow

    Science.gov (United States)

    Deane, A. E.; Keefe, L. R.

    1988-01-01

    Employing numerical simulations of 3-D homogeneous shear flow, the associated multifractal spectra of the energy dissipation, scalar dissipation and vorticity fields were calculated. The results for (128) cubed simulations of this flow, and those obtained in recent experiments that analyzed 1- and 2-D intersections of atmospheric and laboratory flows, are in some agreement. A two-scale Cantor set model of the energy cascade process which describes the experimental results from 1-D intersections quite well, describes the 3-D results only marginally.

  16. Inelastic response spectra of simple degrading systems

    International Nuclear Information System (INIS)

    Andreaus, U.; Ceradini, G.; D'Asdia, P.; Gaudenzi, P.

    1985-01-01

    Ductility was first stated, for single-degree-of-freedom elastic-perfectly plastic systems as the ratio of maximum to yield displacements. An alternative approach, aimed to reduce design forces for ductile structures and based on the energy dissipated during earthquake allows to obtain more reliable ductility factors even when system restoring characteristics are affected by deterioration during loading history. Inelastic response of SDOF systems has been investigated under seimic excitation, assuming stable and degrading constitutive laws to model their structural behaviour. Energy spectra and ductility requirent diagrams are generated and compared with those of the corresponding elastic-perfectly plastic systems. (orig.)

  17. Beamstrahlung spectra in next generation linear colliders

    Energy Technology Data Exchange (ETDEWEB)

    Barklow, T.; Chen, P. (Stanford Linear Accelerator Center, Menlo Park, CA (United States)); Kozanecki, W. (DAPNIA-SPP, CEN-Saclay (France))

    1992-04-01

    For the next generation of linear colliders, the energy loss due to beamstrahlung during the collision of the e{sup +}e{sup {minus}} beams is expected to substantially influence the effective center-of-mass energy distribution of the colliding particles. In this paper, we first derive analytical formulae for the electron and photon energy spectra under multiple beamstrahlung processes, and for the e{sup +}e{sup {minus}} and {gamma}{gamma} differential luminosities. We then apply our formulation to various classes of 500 GeV e{sup +}e{sup {minus}} linear collider designs currently under study.

  18. Exclusion Statistics in Conformal Field Theory Spectra

    International Nuclear Information System (INIS)

    Schoutens, K.

    1997-01-01

    We propose a new method for investigating the exclusion statistics of quasiparticles in conformal field theory (CFT) spectra. The method leads to one-particle distribution functions, which generalize the Fermi-Dirac distribution. For the simplest SU(n) invariant CFTs we find a generalization of Gentile parafermions, and we obtain new distributions for the simplest Z N -invariant CFTs. In special examples, our approach reproduces distributions based on 'fractional exclusion statistics' in the sense of Haldane. We comment on applications to fractional quantum Hall effect edge theories. copyright 1997 The American Physical Society

  19. Far-infrared spectra of acetanilide revisited

    Science.gov (United States)

    Spire, A.; Barthes, M.; Kellouai, H.; De Nunzio, G.

    2000-03-01

    A new investigation of the temperature dependence of the far-infrared spectra of acetanilide and some isotopomers is presented. Four absorption bands are considered at 31, 42, 64, and 80 cm-1, and no significant change of their integrated intensity is observed when reducing the temperature. The temperature induced frequency shift values and other properties of these bands are consistent with an assignment as anharmonic lattice phonons. These results rule out the assignment of the 64, 80, and 106 cm-1 bands as normal modes of the polaronic excitation, as previously suggested.

  20. 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

  1. 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)

  2. Photographic infrared spectra of symbiotic stars

    International Nuclear Information System (INIS)

    Andrillat, Y.; Houziaux, L.

    1982-01-01

    The authors have observed six symbiotic stars during the period 1962-1977 with a grating spectrograph attached to the newtonian focus of the 120-cm telescope at Observatoire de Haute Provence. The reciprocal dispersion is 230 A.mm -1 and the region 5800 to 8800 A has been covered using hypersensitized IN plates. The minimum equivalent width for an emission line to be seen is about 0.5 A. The spectra are displayed and the main spectral characteristics are reviewed briefly. (Auth.)

  3. The use of synthetic spectra to test the preparedness to evaluate and analyze complex gamma spectra

    International Nuclear Information System (INIS)

    Nikkinen, M

    2001-10-01

    This is the report of two exercises that were run under the NKS BOK-1.1 sub-project. In these exercises synthetic gamma spectra were developed to exercise the analysis of difficult spectra typically seen after a severe nuclear accident. The spectra were analyzed twice; first, participants were given short time to give results to resemble an actual emergency preparedness situation, then a longer period of time was allowed to tune the laboratory analysis results for quality assurance purposes. The exercise did prove that it is possible to move measurement data from one laboratory to another if second opinion of the analysis is needed. It was also felt that this kind of exercise would enhance the experience the laboratories have in analyzing accident data. Participants expressed the need for additional exercises of this type, this is inexpensive and an easy way to exercise quick emergency response situations not normally seen in daily laboratory routines. (au)

  4. Vibronic spectra of Gd3+ in metaphosphate glasses: Comparison with Raman and infrared spectra

    International Nuclear Information System (INIS)

    Hall, D.W.; Brawer, S.A.; Weber, M.J.

    1982-01-01

    Vibronic sidebands associated with the 6 P/sub 7/2/→ 8 S/sub 7/2/ transition of Gd 3+ -doped metaphosphate glasses are observed using line-narrowed fluorescence techniques. Glasses having metal cations of different mass and charge (La,Al,Mg,Ba) are examined. Vibronic spectra, which probe vibrations about the rare-earth element site, are compared with polarized Raman scattering data and the infrared dielectric constant obtained from near-normal reflectance measurements. Results indicate that in metaphosphate glasses vibronic selection rules are similar to HV (vertical height) Raman selection rules. The wavelengths and relative intensities of peaks in the high-frequency portion of the vibronic spectra change with respect to corresponding peaks in the Raman spectra when the mass and/or charge of Gd 3+ differs significantly from that of the metal cation

  5. The blue complexes of U in aqueous solutions

    International Nuclear Information System (INIS)

    Musikas, C.

    1976-01-01

    Mixed-valence uranium complexes were synthesized. Hydrolysis of hexavalent U leads to anionic species soluble in aqueous solutions when the UO 2 ++ ions are neutralized by tetraalkylammonium hydroxides. These complexes are polynuclear and the size and interatomic distances found for the polyanions are those of macromolecules. By hydrazine of these complexes, solutions were obtained and their absorption spectra studied. The spectra of U(VI) and U(V) ions are observed, together with new bands attributable to a charge transfer. It may be concluded that the blue complexes of uranium are type II composite-valence complexes for which the delocalization coefficient α can be calculated [fr

  6. Acid-base equilibrium in aqueous solutions of 1,3-dimethylbarbituric acid as studied by 13C NMR spectroscopy

    Science.gov (United States)

    Gryff-Keller, A.; Kraska-Dziadecka, A.

    2011-12-01

    13C NMR spectra of 1,3-dimethylbarbituric acid in aqueous solutions of various acidities and for various solute concentrations have been recorded and interpreted. The spectra recorded at pH = 2 and below contain the signals of the neutral solute molecule exclusively, while the ones recorded at pH = 7 and above only the signals of the appropriate anion, which has been confirmed by theoretical GIAO-DFT calculations. The signals in the spectra recorded for solutions of pH pH variation have been observed for the parent barbituric acid.

  7. Generate floor response spectra, Part 2: Response spectra for equipment-structure resonance

    International Nuclear Information System (INIS)

    Li, Bo; Jiang, Wei; Xie, Wei-Chau; Pandey, Mahesh D.

    2015-01-01

    Highlights: • The concept of tRS is proposed to deal with tuning of equipment and structures. • Established statistical approaches for estimating tRS corresponding to given GRS. • Derived a new modal combination rule from the theory of random vibration. • Developed efficient and accurate direct method for generating floor response spectra. - Abstract: When generating floor response spectra (FRS) using the direct spectra-to-spectra method developed in the companion paper, probability distribution of t-response spectrum (tRS), which deals with equipment-structure resonance or tuning, corresponding to a specified ground response spectrum (GRS) is required. In this paper, simulation results using a large number of horizontal and vertical ground motions are employed to establish statistical relationships between tRS and GRS. It is observed that the influence of site conditions on horizontal statistical relationships is negligible, whereas the effect of site conditions on vertical statistical relationships cannot be ignored. Considering the influence of site conditions, horizontal statistical relationship suitable for all site conditions and vertical statistical relationships suitable for hard sites and soft sites, respectively, are established. The horizontal and vertical statistical relationships are suitable to estimate tRS for design spectra in USNRC R.G. 1.60 and NUREG/CR-0098, Uniform Hazard Spectra (UHS) in Western North America (WNA), or any GRS falling inside the valid coverage of the statistical relationship. For UHS with significant high frequency spectral accelerations, such as UHS in Central and Eastern North America (CENA), an amplification ratio method is proposed to estimate tRS. Numerical examples demonstrate that the statistical relationships and the amplification ratio method are acceptable to estimate tRS for given GRS and to generate FRS using the direct method in different practical situations.

  8. Generate floor response spectra, Part 2: Response spectra for equipment-structure resonance

    Energy Technology Data Exchange (ETDEWEB)

    Li, Bo, E-mail: b68li@uwaterloo.ca; Jiang, Wei, E-mail: w46jiang@uwaterloo.ca; Xie, Wei-Chau, E-mail: xie@uwaterloo.ca; Pandey, Mahesh D., E-mail: mdpandey@uwaterloo.ca

    2015-11-15

    Highlights: • The concept of tRS is proposed to deal with tuning of equipment and structures. • Established statistical approaches for estimating tRS corresponding to given GRS. • Derived a new modal combination rule from the theory of random vibration. • Developed efficient and accurate direct method for generating floor response spectra. - Abstract: When generating floor response spectra (FRS) using the direct spectra-to-spectra method developed in the companion paper, probability distribution of t-response spectrum (tRS), which deals with equipment-structure resonance or tuning, corresponding to a specified ground response spectrum (GRS) is required. In this paper, simulation results using a large number of horizontal and vertical ground motions are employed to establish statistical relationships between tRS and GRS. It is observed that the influence of site conditions on horizontal statistical relationships is negligible, whereas the effect of site conditions on vertical statistical relationships cannot be ignored. Considering the influence of site conditions, horizontal statistical relationship suitable for all site conditions and vertical statistical relationships suitable for hard sites and soft sites, respectively, are established. The horizontal and vertical statistical relationships are suitable to estimate tRS for design spectra in USNRC R.G. 1.60 and NUREG/CR-0098, Uniform Hazard Spectra (UHS) in Western North America (WNA), or any GRS falling inside the valid coverage of the statistical relationship. For UHS with significant high frequency spectral accelerations, such as UHS in Central and Eastern North America (CENA), an amplification ratio method is proposed to estimate tRS. Numerical examples demonstrate that the statistical relationships and the amplification ratio method are acceptable to estimate tRS for given GRS and to generate FRS using the direct method in different practical situations.

  9. 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 ...

  10. Electronic structure of some adenosine receptor antagonists. III. Quantitative investigation of the electronic absorption spectra of alkyl xanthines

    Science.gov (United States)

    Moustafa, H.; Shalaby, Samia H.; El-sawy, K. M.; Hilal, Rifaat

    2002-07-01

    Quantitative and comparative investigation of the electronic absorption spectra of theophylline, caffeine and their derivatives is reported. The spectra of theophylline, caffeine and theobromine were compared to establish the predominant tautomeric species in solution. This comparison, analysis of solvent effects and assignments of the observed transitions via MO computations indicate the exits of only one tautomeric species in solution that is the N7 form. A low-lying triplet state was identified which corresponds to a HOMO-LUMO transition. This relatively long-lived T 1 state is always less polar than the ground state and may very well underlie the photochemical reactivity of alkyl xanthines. Substituents of different electron donating or withdrawing strengths and solvent effects are investigated and analyzed. The present analysis is facilitated via computer deconvolution of the observed spectra and MO computation.

  11. 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

    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...... 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...

  12. On statistical fluctuations in the dibaryon spectra

    International Nuclear Information System (INIS)

    Bazhanskij, I.I.; Luk'yanov, V.K.; Reznik, B.L.; Titov, A.I.

    1988-01-01

    The aim of this report is to show, that idea about statistical nature of dibaryon resonances corresponds to the present experimental data. Condition for cross section fluctuation occurrence is linked with value of decay width for isolated dibaryon in nucleon channel. Γ in terms of dibaryon potential quark model and q 6 → NN dibaryon decay for q 6 state with S 6 orbital symmetry and (S=I, I=0) deuteron quantum numbers are calculated as an example. np → ppπ - , dp → ppn and elastic pp-scattering are considered and distributions of cross sections and correlation functions obtained from these reactions are presented to investigate cross section fluctuations in spectra of effective masses of two-nucleon systems. Supposition about fluctuation pattern does not contradict the experiment. Curves, calculated with x l α < or approx. 0.05 partial amplitude parameter and full width of Γ < or approx. 20 MeV dibaryon resonances comply to the present experiment best. Fluctuation peculiarities -peaks in cross sections have approximately the same energy width (Γ ∼ 15-20 MeV) as the observed narrow peak in effective mass spectra of some reactions. 16 refs.; 3 figs

  13. [Fluorescence spectra analysis of the scrophularia soup].

    Science.gov (United States)

    Yan, Li-hua; Song, Feng; Han, Juan; Su, Jing; Qu, Fei-fei; Song, Yi-zhan; Hu, Bo-lin; Tian, Jian-guo

    2008-08-01

    The cold-water and boiled-water soaked scrophularia soups have been prepared. The emission and excitation spectra of each scrophularia soup under different conditions have been measured at room temperature. The pH values of the different scrophularia soups have been also detected. There are obvious differences between the cold-water soaked scrophularia soup and the boiled-water soaked scrophularia. For both soups the emission wavelength increases with the wavelength of the excitation, but the peaks of the emission spectra for cold-water and boiled-water soaked scrophularia soup are different, which are 441 and 532 nm, respectively. Excitation spectrum has double peaks in the cold-water soaked scrophularia soup while only one peak with longer wavelength in the boiled-water soaked one. The pH value changes from 5.5 to 4.1. According to the organic admixture fluorescence mechanism we analyzed the reasons of the experimental results. Through heating, the interaction in different fluorescence molecular and the energy transfer process in the same fluorescence molecular become more active, and the conjugate structures and the generation of hydrogen bonds, increase. The fluorescence measurement is of value for the scrophularia pharmacology analysis and provides an analytical method for the quality identification of scrophularia soup.

  14. Primordial spectra from sudden turning trajectory

    Science.gov (United States)

    Noumi, Toshifumi; Yamaguchi, Masahide

    2013-12-01

    Effects of heavy fields on primordial spectra of curvature perturbations are discussed in inflationary models with a sudden turning trajectory. When heavy fields are excited after the sudden turn and oscillate around the bottom of the potential, the following two effects are generically induced: deformation of the inflationary background spacetime and conversion interactions between adiabatic and isocurvature perturbations, both of which can affect the primordial density perturbations. In this paper, we calculate primordial spectra in inflationary models with sudden turning potentials taking into account both of the two effects appropriately. We find that there are some non-trivial correlations between the two effects in the power spectrum and, as a consequence, the primordial scalar power spectrum has a peak around the scale exiting the horizon at the turn. Though both effects can induce parametric resonance amplifications, they are shown to be canceled out for the case with the canonical kinetic terms. The peak feature and the scale dependence of bispectra are also discussed.

  15. 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.

  16. Beta-energy averaging and beta spectra

    International Nuclear Information System (INIS)

    Stamatelatos, M.G.; England, T.R.

    1976-07-01

    A simple yet highly accurate method for approximately calculating spectrum-averaged beta energies and beta spectra for radioactive nuclei is presented. This method should prove useful for users who wish to obtain accurate answers without complicated calculations of Fermi functions, complex gamma functions, and time-consuming numerical integrations as required by the more exact theoretical expressions. Therefore, this method should be a good time-saving alternative for investigators who need to make calculations involving large numbers of nuclei (e.g., fission products) as well as for occasional users interested in restricted number of nuclides. The average beta-energy values calculated by this method differ from those calculated by ''exact'' methods by no more than 1 percent for nuclides with atomic numbers in the 20 to 100 range and which emit betas of energies up to approximately 8 MeV. These include all fission products and the actinides. The beta-energy spectra calculated by the present method are also of the same quality

  17. 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

  18. Low resolution infrared spectra of quasars

    International Nuclear Information System (INIS)

    Soifer, B.T.; Neugebauer, G.; Oke, J.B.; Matthews, K.

    1980-01-01

    Low resolution spectra of a significant sample of quasars show that the Paschen α and Balmer line ratios do not agree with the radiative recombination case B result and vary widely within the quasars sampled. The range in Pα:Hβ ratios is a factor of approximately 6, while the range in Lyα:Hα ratios is a factor of approximately 5. For the Pα:Balmer series, the deviations from case B recombination are not consistent with reddening, but appear, within large dispersions, to be consistent with optical depth effects in the Balmer lines affecting the line ratios. The Lyα:Hα ratio is, however, correlated with the continuum spectral index, and can be explained as due to reddening affecting both the lines and continuum. Recent observational results based on a joint infrared/optical survey of the hydrogen line spectra of a significant number of the brightest low and high redshift quasars are summarised. This survey includes 12 quasars in the redshift range 0.07 1.5, where Hα and/or Hβ is redshifted into the 1.65μm or 2.2μm atmospheric windows. (Auth.)

  19. 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

  20. Fourier transform spectra of quantum dots

    Science.gov (United States)

    Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

    2010-05-01

    Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

  1. 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.

  2. Radio spectra of pulsars. Pt. 1

    International Nuclear Information System (INIS)

    Izekova, V.A.; Kuzmin, A.D.; Malofeev, V.M.; Shitov, Yu.P.

    1981-01-01

    The results of flux pulsar radioemission measurements at meter wavelength, made at Pushchino Radio Astronomical Observatory of the Lebedev Physical Institute, are presented. Flux densities at 102, 85, 61 and 39 MHz have been measured for 85, 29, 37 and 23 pulsars correspondingly. Some of them were performed at all frequencies simultaneously. On the basis of these data and high frequencies data obtained by other authors, spectra of 52 pulsars were plotted. In practically all investigated pulsars we have detected a turn-over frequency at which the flux density of pulsar radioemission attained its maximum. Its mean value is vsub(m) = 130 +- 80 MHz. Averaged on many pulsars, the spectral index is negative in the 39-61 MHz frequency range (anti ALPHA 39 sub(-) 61 = -1.4 +- 0.4) and passes through zero at frequencies of about 100 MHz, becoming positive in the 100-400 MHz frequency range. It was noticed that the spectral index in the 100-400 MHz interval depends upon such pulsar periods as α 100 sub(-) 400 = 0.7 log p + 0.9. Using the spectra, more precise radio luminosities of pulsars have been computed. (orig.)

  3. 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

  4. 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.

  5. A Dual Egalitarian Solution

    NARCIS (Netherlands)

    Klijn, F.; Slikker, M.; Tijs, S.H.

    2000-01-01

    In this note we introduce an egalitarian solution, called the dual egalitarian solution, that is the natural counterpart of the egalitarian solution of Dutta and Ray (1989).We prove, among others, that for a convex game the egalitarian solution coincides with the dual egalitarian solution for its

  6. Stellar parametrization from Gaia RVS spectra

    Science.gov (United States)

    Recio-Blanco, A.; de Laverny, P.; Allende Prieto, C.; Fustes, D.; Manteiga, M.; Arcay, B.; Bijaoui, A.; Dafonte, C.; Ordenovic, C.; Ordoñez Blanco, D.

    2016-01-01

    Context. Among the myriad of data collected by the ESA Gaia satellite, about 150 million spectra will be delivered by the Radial Velocity Spectrometer (RVS) for stars as faint as GRVS~ 16. A specific stellar parametrization will be performed on most of these RVS spectra, I.e. those with enough high signal-to-noise ratio (S/N), which should correspond to single stars that have a magnitude in the RVS band brighter than ~14.5. Some individual chemical abundances will also be estimated for the brightest targets. Aims: We describe the different parametrization codes that have been specifically developed or adapted for RVS spectra within the GSP-Spec working group of the analysis consortium. The tested codes are based on optimisation (FERRE and GAUGUIN), projection (MATISSE), or pattern-recognition methods (Artificial Neural Networks). We present and discuss each of their expected performances in the recovered stellar atmospheric parameters (effective temperature, surface gravity, overall metallicity) for B- to K-type stars. The performances for determining of [α/Fe] ratios are also presented for cool stars. Methods: Each code has been homogeneously tested with a large grid of RVS simulated synthetic spectra of BAFGK-spectral types (dwarfs and giants), with metallicities varying from 10-2.5 to 10+ 0.5 the solar metallicity, and taking variations of ±0.4 dex in the composition of the α-elements into consideration. The tests were performed for S/N ranging from ten to 350. Results: For all the stellar types we considered, stars brighter than GRVS~ 12.5 are very efficiently parametrized by the GSP-Spec pipeline, including reliable estimations of [α/Fe]. Typical internal errors for FGK metal-rich and metal-intermediate stars are around 40 K in Teff, 0.10 dex in log(g), 0.04 dex in [M/H], and 0.03 dex in [α/Fe] at GRVS = 10.3. They degrade to 155 K in Teff, 0.15 dex in log(g), 0.10 dex in [M/H], and 0.1 dex in [α/Fe] at GRVS~ 12. Similar accuracies in Teff and [M/H] are

  7. Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X 1Ag ↔ A1B1u absorption and fluorescence spectra of perylene

    International Nuclear Information System (INIS)

    Wang, Chen-Wen; Zhu, Chaoyuan; Lin, Sheng-Hsien; Yang, Ling; Yu, Jian-Guo

    2014-01-01

    Damped harmonic oscillators are utilized to calculate Franck-Condon factors within displaced harmonic oscillator approximation. This is practically done by scaling unperturbed Hessian matrix that represents local modes of force constants for molecule in gaseous phase, and then by diagonalizing perturbed Hessian matrix it results in direct modification of Huang–Rhys factors which represent normal modes of solute molecule perturbed by solvent environment. Scaling parameters are empirically introduced for simulating absorption and fluorescence spectra of an isolated solute molecule in solution. The present method is especially useful for simulating vibronic spectra of polycyclic aromatic hydrocarbon molecules in which hydrogen atom vibrations in solution can be scaled equally, namely the same scaling factor being applied to all hydrogen atoms in polycyclic aromatic hydrocarbons. The present method is demonstrated in simulating solvent enhanced X 1 A g ↔ A 1 B 1u absorption and fluorescence spectra of perylene (medium-sized polycyclic aromatic hydrocarbon) in benzene solution. It is found that one of six active normal modes v 10 is actually responsible to the solvent enhancement of spectra observed in experiment. Simulations from all functionals (TD) B3LYP, (TD) B3LYP35, (TD) B3LYP50, and (TD) B3LYP100 draw the same conclusion. Hence, the present method is able to adequately reproduce experimental absorption and fluorescence spectra in both gas and solution phases

  8. A prosposed mechanism for the inactivation of atopic allergens in dilute solution

    NARCIS (Netherlands)

    Berrens, L.

    A study has been made of the ultra-violet absorption spectra of purified atopic allergens at pH 2 and pH 12. The colour change of atopen solutions from deep brown in alakali to light brown or yellow in acid is reflected in the spectra by considerably higher extinction coefficients in alkali. By

  9. Estimating soil solution nitrate concentration from dielectric spectra using PLS analysis

    Science.gov (United States)

    Fast and reliable methods for in situ monitoring of soil nitrate-nitrogen concentration are vital for reducing nitrate-nitrogen losses to ground and surface waters from agricultural systems. While several studies have been done to indirectly estimate nitrate-nitrogen concentration from time domain s...

  10. The VA, VCD, Raman and ROA spectra of tri-L-serine in aqueous solution

    DEFF Research Database (Denmark)

    Jürgensen, Vibeke Würtz; Jalkanen, Karl J.

    2006-01-01

    The structures of one conformer of the nonionic neutral and zwitterionic species of L-serinyl L-serinyl L-serine (SSS or tri-L-serine), together with its cationic and anionic species and the capped N-acetyl tri-L-serine N'-methylamide analog were optimized with density functional theory with the ......The structures of one conformer of the nonionic neutral and zwitterionic species of L-serinyl L-serinyl L-serine (SSS or tri-L-serine), together with its cationic and anionic species and the capped N-acetyl tri-L-serine N'-methylamide analog were optimized with density functional theory...

  11. 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

  12. Raman Spectra from Pesticides on the Surface of Fruits

    International Nuclear Information System (INIS)

    Zhang, P X; Zhou Xiaofang; Cheng, Andrew Y S; Fang Yan

    2006-01-01

    Raman spectra of several vegetables and fruits were studied by micro-Raman spectrometer (514.5 nm) and Near-infrared Fourier Transform Raman spectrometer (FTRaman). It is shown that at 514.5 nm excitation, most of the spectra are from that of carotene with some very strong fluorescence in some cases. While at 1064 nm wavelength excitation, the spectra from the different samples demonstrate different characteristic Raman spectra without fluorescence. We discuss the spectroscopic difference by the two excitation wavelengths, and the application of Raman spectra for detection of pesticides left on the surface of vegetables and fruits. Raman spectra of fruits and pesticides were successfully recorded, and using the FT-Raman spectra the pesticides left on the surface of the fruits can be detected conveniently

  13. 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.

  14. 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.

  15. Boundary spectra in superspace σ-models

    International Nuclear Information System (INIS)

    Quella, T.; Schomerus, V.; Creutzig, T.

    2007-12-01

    In this note we compute exact boundary spectra for D-instantons in σ-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 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.)

  16. 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

  17. Assessment of smoothed spectra using autocorrelation function

    International Nuclear Information System (INIS)

    Urbanski, P.; Kowalska, E.

    2006-01-01

    Recently, data and signal smoothing became almost standard procedures in the spectrometric and chromatographic methods. In radiometry, the main purpose to apply smoothing is minimisation of the statistical fluctuation and avoid distortion. The aim of the work was to find a qualitative parameter, which could be used, as a figure of merit for detecting distortion of the smoothed spectra, based on the linear model. It is assumed that as long as the part of the raw spectrum removed by the smoothing procedure (v s ) will be of random nature, the smoothed spectrum can be considered as undistorted. Thanks to this feature of the autocorrelation function, drifts of the mean value in the removed noise vs as well as its periodicity can be more easily detected from the autocorrelogram than from the original data

  18. Closed N-shell alkali spectra

    International Nuclear Information System (INIS)

    Ellis, D.G.; Curtis, L.J.

    1982-01-01

    Term values and ionization potentials have been calculated for several ions in the promethium (N = 61) isoelectronic sequence. As the nuclear charge is increased, the ground configuration changes from 4f 13 5s 2 to 4f 14 5s giving the upper portion of the sequence an alkali-like character. According to our most recent Hartree-Fock calculations with first-order relativistic corrections, the ground term is 5s 2 S for Z > 77 (Ir XVII) and the first excited term is 5p 2 P 0 for Z > 84 (P 0 XXIV). Comparisons are made with calculations of Cowan in W XIV. The prospects for observation of these spectra in fast ion beams are discussed. (orig.)

  19. 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 .

  20. Automated analysis of objective-prism spectra

    International Nuclear Information System (INIS)

    Hewett, P.C.; Irwin, M.J.; Bunclark, P.; Bridgeland, M.T.; Kibblewhite, E.J.; Smith, M.G.

    1985-01-01

    A fully automated system for the location, measurement and analysis of large numbers of low-resolution objective-prism spectra is described. The system is based on the APM facility at the University of Cambridge, and allows processing of objective-prism, grens or grism data. Particular emphasis is placed on techniques to obtain the maximum signal-to-noise ratio from the data, both in the initial spectral estimation procedure and for subsequent feature identification. Comparison of a high-quality visual catalogue of faint quasar candidates with an equivalent automated sample demonstrates the ability of the APM system to identify all the visually selected quasar candidates. In addition, a large population of new, faint (msub(J)approx. 20) candidates is identified. (author)

  1. 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...

  2. Infrared Model Spectra for Evolving Red Supergiants

    Directory of Open Access Journals (Sweden)

    Kyung-Won Suh

    1993-06-01

    Full Text Available The space and ground based infrared spectra of red supergiants are modeled and arranged in order of their evolutionary status with their theoretical model parameters. The chemical compositions of the dust shells around red supergiants are affected by the nuclear reaction and dredge-up processes of the cental stars. The processes are sensitively dependent on the initial mass, the initial chemical composition, and the evolutionary status. Miras, infrared carbon stars, and OH/IR stars have close link in their evolution in manu aspects, i,e., the chemical composition, the optical depths and the mass loss rates. The evolutionary tracks for the three classes of red supergiants on infrared two-color diagrams have been made from model calculations and IRAS observational data.

  3. Increased Elemental Specificity of Positron Annihilation Spectra

    International Nuclear Information System (INIS)

    Asoka-Kumar, P.; Alatalo, M.; Ghosh, V.J.; Kruseman, A.C.; Nielsen, B.; Lynn, K.G.

    1996-01-01

    Positron annihilation spectroscopy (PAS) is a sensitive probe for studying the electronic structure of defects in solids. We show that the high-momentum part of the Doppler-broadened annihilation spectra can be used to distinguish different elements. This is achieved by using a new two-detector coincidence system to examine the line shape variations originating from high-momentum core electrons. Because the core electrons retain their atomic character even when atoms form a solid, these results can be directly compared to simple theoretical predictions. The new approach adds increased elemental specificity to the PAS technique, and is useful in studying the elemental variations around a defect site. copyright 1996 The American Physical Society

  4. 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

  5. Spectra of small Koronis family members

    Science.gov (United States)

    Thomas, C.; Rivkin, A.; Trilling, D.; Moskovitz, N.

    2014-07-01

    The space-weathering process and its implications for the relationships between S- and Q-type asteroids and ordinary chondrite meteorites are long-standing problems in asteroid science. Although the visible and near-infrared spectra of S- and Q-type objects qualitatively show the same absorption features and quantitatively show evidence of the same minerals, the S types display increased spectral slopes and muted absorption features compared to the Q types. This spectral mismatch is consistent with the effects of the space weathering process. Binzel et al. provided the missing link between Q- and S-type bodies in near-Earth space by showing a reddening of spectral slope in objects from 0.1 to 5 km that corresponded to the transition from Q- to S-type spectra. This result implied that size, and therefore age, is related to the relationship between Q- and S-type. The existence of Q-type objects in the main belt was not confirmed until Mothe-Diniz and Nesvorny (2008) found them in young S-type clusters. To investigate the trend from Q to S in the main belt, we examined space weathering within the old main-belt Koronis family using a spectrophotometric survey (Rivkin et al. 2011, Thomas et al. 2011). Rivkin et al. (2011) identified several potential Q-type objects within the Koronis family. Our Q-type candidates were identified using broad-band spectrophotometry and could not be taxonomically classified on that basis alone. We obtained follow-up visible and near-infrared spectral observations of our potential Q-type objects, (26970) Elias, (45610) 2000 DJ_{48}, and (37411) 2001 XF_{152}, using Gemini and Magellan. We will present the results of these spectral follow-up observations. Observations of (26970) Elias demonstrate that the object is more consistent with the average Q-type spectrum than the average S-type spectrum.

  6. 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"2"4"+ - W"3"2"+ 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"2"2"+ - W"3"5"+ ions, and the second peak at ∼6 nm is produced by 4f-4d transition of W"2"5"+ - W"2"8"+ ions, and 4d-4p inner-shell transitions, 4p"54d"n"+"1 - 4p"64d"n, of W"2"9"+ - W"3"5"+ ions. These 4d-4p inner-shell transitions become strong since we included higher excited states such as 4p"54d"n4f state, which ADAS atomic data set does not include for spectroscopic modeling with fine structure levels. (author)

  7. 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.

  8. [Raman spectra of monkey cerebral cortex tissue].

    Science.gov (United States)

    Zhu, Ji-chun; Guo, Jian-yu; Cai, Wei-ying; Wang, Zu-geng; Sun, Zhen-rong

    2010-01-01

    Monkey cerebral cortex, an important part in the brain to control action and thought activities, is mainly composed of grey matter and nerve cell. In the present paper, the in situ Raman spectra of the cerebral cortex of the birth, teenage and aged monkeys were achieved for the first time. The results show that the Raman spectra for the different age monkey cerebral cortex exhibit most obvious changes in the regions of 1000-1400 and 2800-3000 cm(-1). With monkey growing up, the relative intensities of the Raman bands at 1313 and 2885 cm(-1) mainly assigned to CH2 chain vibrational mode of lipid become stronger and stronger whereas the relative intensities of the Raman bands at 1338 and 2932 cm(-1) mainly assigned to CH3 chain vibrational mode of protein become weaker and weaker. In addition, the two new Raman bands at 1296 and 2850 cm(-1) are only observed in the aged monkey cerebral cortex, therefore, the two bands can be considered as a character or "marker" to differentiate the caducity degree with monkey growth In order to further explore the changes, the relative intensity ratios of the Raman band at 1313 cm(-1) to that at 1338 cm(-1) and the Raman band at 2885 cm(-1) to that at 2 932 cm(-1), I1313/I1338 and I2885/I2932, which are the lipid-to-protein ratios, are introduced to denote the degree of the lipid content. The results show that the relative intensity ratios increase significantly with monkey growth, namely, the lipid content in the cerebral cortex increases greatly with monkey growth. So, the authors can deduce that the overmuch lipid is an important cause to induce the caducity. Therefore, the results will be a powerful assistance and valuable parameter to study the order of life growth and diagnose diseases.

  9. 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.

  10. Infrared spectra of small molecular ions trapped in solid neon

    Energy Technology Data Exchange (ETDEWEB)

    Jacox, Marilyn E. [Optical Technology Division, National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States)

    2015-01-22

    The infrared spectrum of a molecular ion provides a unique signature for that species, gives information on its structure, and is amenable to remote sensing. It also serves as a comparison standard for refining ab initio calculations. Experiments in this laboratory trap molecular ions in dilute solid solution in neon at 4.2 K in sufficient concentration for observation of their infrared spectra between 450 and 4000 cm{sup !1}. Discharge-excited neon atoms produce cations by photoionization and/or Penning ionization of the parent molecule. The resulting electrons are captured by other molecules, yielding anions which provide for overall charge neutrality of the deposit. Recent observations of ions produced from C{sub 2}H{sub 4} and BF{sub 3} will be discussed. Because of their relatively large possibility of having low-lying excited electronic states, small, symmetric molecular cations are especially vulnerable to breakdown of the Born-Oppenheimer approximation. Some phenomena which can result from this breakdown will be discussed. Ion-molecule reaction rates are sufficiently high that in some systems absorptions of dimer cations and anions are also observed. When H{sub 2} is introduced into the system, the initially-formed ion may react with it. Among the species resulting from such ion-molecule reactions that have recently been studied are O{sub 4}{sup +}, NH{sub 4}{sup +}, HOCO{sup +}, and HCO{sub 2}{sup !}.

  11. VizieR Online Data Catalog: Local interstellar spectra of cosmic-ray species (Boschini+, 2017)

    Science.gov (United States)

    Boschini, M. J.; Torre, S. D.; Gervasi, M.; Grandi, D.; Johannesson, G.; Kachelriess, M.; La Vacca, G.; Masi, N.; Moskalenko, I. V.; Orlando, E.; Ostapchenko, S. S.; Pensotti, S.; Porter, T. A.; Quadrani, L.; Rancoita, P. G.; Rozza, D.; Tacconi, M.

    2017-11-01

    Local interstellar spectra (LIS) for protons, helium, and antiprotons are built using the most recent experimental results combined with state-of-the-art models for propagation in the Galaxy and heliosphere. Two propagation packages, GALPROP and HelMod, are combined to provide a single framework that is run to reproduce direct measurements of cosmic-ray (CR) species at different modulation levels and at both polarities of the solar magnetic field. To do so in a self-consistent way, an iterative procedure was developed, where the GALPROP LIS output is fed into HelMod, providing modulated spectra for specific time periods of selected experiments to compare with the data; the HelMod parameter optimization is performed at this stage and looped back to adjust the LIS using the new GALPROP run. The parameters were tuned with the maximum likelihood procedure using an extensive data set of proton spectra from 1997 to 2015. The proposed LIS accommodate both the low-energy interstellar CR spectra measured by Voyager 1 and the high-energy observations by BESS, Pamela, AMS-01, and AMS-02 made from the balloons and near-Earth payloads; it also accounts for Ulysses counting rate features measured out of the ecliptic plane. The found solution is in a good agreement with proton, helium, and antiproton data by AMS-02, BESS, and PAMELA in the whole energy range. (3 data files).

  12. Non-Hermitian systems of Euclidean Lie algebraic type with real energy spectra

    International Nuclear Information System (INIS)

    Dey, Sanjib; Fring, Andreas; Mathanaranjan, Thilagarajah

    2014-01-01

    We study several classes of non-Hermitian Hamiltonian systems, which can be expressed in terms of bilinear combinations of Euclidean–Lie algebraic generators. The classes are distinguished by different versions of antilinear (PT)-symmetries exhibiting various types of qualitative behaviour. On the basis of explicitly computed non-perturbative Dyson maps we construct metric operators, isospectral Hermitian counterparts for which we solve the corresponding time-independent Schrödinger equation for specific choices of the coupling constants. In these cases general analytical expressions for the solutions are obtained in the form of Mathieu functions, which we analyze numerically to obtain the corresponding energy spectra. We identify regions in the parameter space for which the corresponding spectra are entirely real and also domains where the PT symmetry is spontaneously broken and sometimes also regained at exceptional points. In some cases it is shown explicitly how the threshold region from real to complex spectra is characterized by the breakdown of the Dyson maps or the metric operator. We establish the explicit relationship to models currently under investigation in the context of beam dynamics in optical lattices. -- Highlights: •Different PT-symmetries lead to qualitatively different systems. •Construction of non-perturbative Dyson maps and isospectral Hermitian counterparts. •Numerical discussion of the eigenvalue spectra for one of the E(2)-systems. •Established link to systems studied in the context of optical lattices. •Setup for the E(3)-algebra is provided

  13. Robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming.

    Science.gov (United States)

    Baran, Richard; Northen, Trent R

    2013-10-15

    Untargeted metabolite profiling using liquid chromatography and mass spectrometry coupled via electrospray ionization is a powerful tool for the discovery of novel natural products, metabolic capabilities, and biomarkers. However, the elucidation of the identities of uncharacterized metabolites from spectral features remains challenging. A critical step in the metabolite identification workflow is the assignment of redundant spectral features (adducts, fragments, multimers) and calculation of the underlying chemical formula. Inspection of the data by experts using computational tools solving partial problems (e.g., chemical formula calculation for individual ions) can be performed to disambiguate alternative solutions and provide reliable results. However, manual curation is tedious and not readily scalable or standardized. Here we describe an automated procedure for the robust automated mass spectra interpretation and chemical formula calculation using mixed integer linear programming optimization (RAMSI). Chemical rules among related ions are expressed as linear constraints and both the spectra interpretation and chemical formula calculation are performed in a single optimization step. This approach is unbiased in that it does not require predefined sets of neutral losses and positive and negative polarity spectra can be combined in a single optimization. The procedure was evaluated with 30 experimental mass spectra and was found to effectively identify the protonated or deprotonated molecule ([M + H](+) or [M - H](-)) while being robust to the presence of background ions. RAMSI provides a much-needed standardized tool for interpreting ions for subsequent identification in untargeted metabolomics workflows.

  14. γ-Irradiation-induced radiolysis of inulin in aqueous solutions

    International Nuclear Information System (INIS)

    Tsyba, I.A.; Revina, A.A.; Shostenko, A.G.

    1997-01-01

    Radiochemical transformations of inulin in aqueous solutions, in air, in the presence of inert gases, helium, nitrogen and in nitrous oxide exposed to various doses of 60 Co γ-irradiation were investigated. It was shown that interactions in inulin with OH radicals are principally responsible for radiolytic decomposition of inulin. The data on radiolysis of more simple model systems were used to make available decomposition spectra of γ-irradiated aerated aqueous solution of inulin. 9 refs., 6 figs

  15. Path spectra derived from inversion of source and site spectra for earthquakes in Southern California

    Science.gov (United States)

    Klimasewski, A.; Sahakian, V. J.; Baltay, A.; Boatwright, J.; Fletcher, J. B.; Baker, L. M.

    2017-12-01

    A large source of epistemic uncertainty in Ground Motion Prediction Equations (GMPEs) is derived from the path term, currently represented as a simple geometric spreading and intrinsic attenuation term. Including additional physical relationships between the path properties and predicted ground motions would produce more accurate and precise, region-specific GMPEs by reclassifying some of the random, aleatory uncertainty as epistemic. This study focuses on regions of Southern California, using data from the Anza network and Southern California Seismic network to create a catalog of events magnitude 2.5 and larger from 1998 to 2016. The catalog encompasses regions of varying geology and therefore varying path and site attenuation. Within this catalog of events, we investigate several collections of event region-to-station pairs, each of which share similar origin locations and stations so that all events have similar paths. Compared with a simple regional GMPE, these paths consistently have high or low residuals. By working with events that have the same path, we can isolate source and site effects, and focus on the remaining residual as path effects. We decompose the recordings into source and site spectra for each unique event and site in our greater Southern California regional database using the inversion method of Andrews (1986). This model represents each natural log record spectra as the sum of its natural log event and site spectra, while constraining each record to a reference site or Brune source spectrum. We estimate a regional, path-specific anelastic attenuation (Q) and site attenuation (t*) from the inversion site spectra and corner frequency from the inversion event spectra. We then compute the residuals between the observed record data, and the inversion model prediction (event*site spectra). This residual is representative of path effects, likely anelastic attenuation along the path that varies from the regional median attenuation. We examine the

  16. Radical pair formation in γ-irradiated 2-methyltetrahydrofuran rigid solutions of polynitrobenzenes

    International Nuclear Information System (INIS)

    Konishi, S.; Hoshino, M.; Imamura, M.

    1981-01-01

    The γ-irradiated MTHF (2-methyltetrahydrofuran) rigid solutions of mDNB (m-dinitrobenzene) and sTNB (s-trinitrobenzene) showed at 77 K ESR spectra characteristic of triplet species in addition to the spectra of doublet species, whereas no triplet ESR spectra were observed for the mononitrobenzene and o- and p-di-nitrobenzene solutions. The distances of the unpaired spins evaluated from the observed fine structure constants by using a point-dipole approximation are 4.3 and 4.6 A for the mDNB solution and 3.9 and 4.7 A for the sTNB solution. The detection of only the solute anion radicals by the optical absorption spectra of the irradiated solutions and the difference of the rate of formation for the triplet species and the solute anion strongly suggest that the triplet species are ascribed to the solute anion-solvent radical pairs. Such radical pairs are most likely to be formed through the migration of a MTHF cation radical, i.e., so-called hole migration, to a specific site between the two nitro groups on the meta positions of a solute anion followed by the production of a stable solvent radical, which is paired with the solute anion

  17. The pulse radiolysis of aqueous solutions of simple RCN compounds

    International Nuclear Information System (INIS)

    Draganic, I.G.; Draganic, Z.D.; Markovic, V.M.

    1976-01-01

    Fast kinetic spectrophotometry was used to study the absorption spectra of short-living intermediates produced by reactions of RCN molecules with H, esub(aq) - and OH. The spectra were obtained on the microsecond time scale after an electron pulse from a Febetron 707 accelerator in aqueous solutions of the following compounds: hydrocyanic acid, acetonitrile, propionitrile, malononitrile and succinonitrile. It has been found that all intermediates absorb in the U.V. range (lamba 9 dm 3 mol -1 s -1 . In the presence of an efficient scavenger for hydroxyl radicals, the same transient spectra were registered in acid and neutral solutions suggesting that the protonations of esub(aq) - adducts of these RCN molecules were complete within a submicrosecond time interval. (author)

  18. Kerr generalized solution

    International Nuclear Information System (INIS)

    Papoyan, V.V.

    1989-01-01

    A Kerr generalized solution for a stationary axially-symmetric gravitational field of rotating self-gravitational objects is given. For solving the problem Einstein equations and their combinations are used. The particular cases: internal and external Schwarzschild solutions are considered. The external solution of the stationary problem is a Kerr solution generalization. 3 refs

  19. Radiochromic liquid solution

    International Nuclear Information System (INIS)

    Noakes, J.E.; Culp, R.A.

    1983-01-01

    A radiochromic solution which is sensitive to small dosages of ionizing and ultraviolet radiation is described. It consists of a solution of a leucocyanide dye in a clear polar solvent with enough organic acid added to make the solution at least slightly acidic and responds to radiation by permanently changing color. Up to one half of the solution by weight can be replaced by a second solution of an aromatic solvent and an organic fluor. Another modification of the invention is a solution of a leucocyanide dye in a clear polar solvent having an aromatic group, an organic fluor, and enough organic acid to make the solution at least slightly acidic. (author)

  20. Pulse radiolysis of pyridine and methylpyridines in aqueous solutions

    DEFF Research Database (Denmark)

    Solar, S.; Getoff, N.; Sehested, K.

    1993-01-01

    The radicals formed from pyridine, 3-methylpyridine, 3,5-dimethylpyridine, 2,6-dimethylpyridine and 2,4,6-trimethylpyridine by attack of H, e(aq)-, OH and O.- in aqueous solutions were investigated by pulse radiolysis in the pH-range 1-13.8. The UV-vis. absorption spectra as well as the formation...

  1. Liquid scintillation solutions

    International Nuclear Information System (INIS)

    Long, E.C.

    1976-01-01

    The liquid scintillation solution described includes a mixture of: a liquid scintillation solvent, a primary scintillation solute, a secondary scintillation solute, a variety of appreciably different surfactants, and a dissolving and transparency agent. The dissolving and transparency agent is tetrahydrofuran, a cyclic ether. The scintillation solvent is toluene. The primary scintillation solute is PPO, and the secondary scintillation solute is dimethyl POPOP. The variety of appreciably different surfactants is composed of isooctylphenol-polyethoxyethanol and sodium dihexyl sulphosuccinate [fr

  2. NEUPAC, Experimental Neutron Spectra Unfolding with Sensitivities

    International Nuclear Information System (INIS)

    Sasaki, Makoto; Nakazawa, Masaharu

    1986-01-01

    1 - Description of problem or function: The code is able to determine the integral quantities and their sensitivities, together with an estimate of the unfolded spectrum and integral quantities. The code also performs a chi-square test of the input/output data, and contains many options for the calculational routines. 2 - Method of solution: The code is based on the J1-type unfolding method, and the estimated neutron flux spectrum is obtained as its solution. 3 - Restrictions on the complexity of the problem: The maximum number of energy groups used for unfolding is 620. The maximum number of reaction rates and the window functions given as input is 20. The total storage requirement depends on the amount of input data

  3. 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.

  4. Boundary Value Problems for a Super-Sublinear Asymmetric Oscillator: The Exact Number of Solutions

    Directory of Open Access Journals (Sweden)

    Armands Gritsans

    2013-01-01

    Full Text Available Properties of asymmetric oscillator described by the equation (i, where and , are studied. A set of such that the problem (i, (ii, and (iii have a nontrivial solution, is called α-spectrum. We give full description of α-spectra in terms of solution sets and solution surfaces. The exact number of nontrivial solutions of the two-parameter Dirichlet boundary value problem (i, and (ii is given.

  5. FIER: Software for analytical modeling of delayed gamma-ray spectra

    Science.gov (United States)

    Matthews, E. F.; Goldblum, B. L.; Bernstein, L. A.; Quiter, B. J.; Brown, J. A.; Younes, W.; Burke, J. T.; Padgett, S. W.; Ressler, J. J.; Tonchev, A. P.

    2018-05-01

    A new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.

  6. COLLI-PTB, Neutron Fluence Spectra for 3-D Collimator System by Monte-Carlo

    International Nuclear Information System (INIS)

    Schlegel-Bickmann, Dietrich

    1995-01-01

    1 - Description of program or function: For optimizing collimator systems (shieldings) for fast neutrons with energies between 10 KeV and 20 MeV. Only elastic and inelastic neutron scattering processes are involved. Isotropic angular distribution for inelastic scattering in the center of mass system is assumed. 2 - Method of solution: The Monte Carlo method with importance sampling technique, splitting and Russian Roulette is used. The neutron attenuation and scattering kinematics is taken into account. 3 - Restrictions on the complexity of the problem: Energy range from 10 KeV to 20 MeV. For the output spectra any bin width is possible. The output spectra are confined to 40 equidistant channels

  7. IR spectra and structure of uranyl pivaloyltrifluoroacetylacetonate isolated in argon matrix

    International Nuclear Information System (INIS)

    Belyaeva, A.A.; Dushin, R.B.; Sidorenko, G.V.; Suglobov, D.N.

    1985-01-01

    When studying IR absorption spectra of a number of isotopomers of uranyl pivaloyl trifluoroacetonate (UPTFA), isolated in the matrix of argon and dissolved in benzene, and comparing them with the spectra of uranyl hexafluoroacetylacetonate (UHFA) vapours, it has been ascertained, that UPTFA vapours consist of monomers and dimers, and UPTFA solution in benzene - of dimers.It is shown, that the dimers have T-shaped structure, at that, the bond inside the dimer is realized by yl-atom of oxygen of an uranyl ion, included in the equatorial coordination sphere of another uranyl ion. Proofs of the dimer T-like structure distortion in gaseous or matrix-isolated state, as a result of which the difference of the angles between uranyl axes from 90 deg is observed, are given. In the framework of approximated model of isolated uranyl-ion the force constants for all the compounds investigated are calaculted

  8. Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

    Science.gov (United States)

    Ikabata, Yasuhiro; Aiba, Risa; Iwanade, Toru; Nishizawa, Hiroaki; Wang, Feng; Nakai, Hiromi

    2018-05-01

    We report theoretical calculations of positron-electron annihilation spectra of noble gas atoms and small molecules using the nuclear orbital plus molecular orbital method. Instead of a nuclear wavefunction, the positronic wavefunction is obtained as the solution of the coupled Hartree-Fock or Kohn-Sham equation for a positron and the electrons. The molecular field is included in the positronic Fock operator, which allows an appropriate treatment of the positron-molecule repulsion. The present treatment succeeds in reproducing the Doppler shift, i.e., full width at half maximum (FWHM) of experimentally measured annihilation (γ-ray) spectra for molecules with a mean absolute error less than 10%. The numerical results indicate that the interpretation of the FWHM in terms of a specific molecular orbital is not appropriate.

  9. 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

  10. 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)

  11. A method to enhance the resolution of broadened spectra

    International Nuclear Information System (INIS)

    Cabral P, A.; Jimenez D, H.; Torres V, M.; Azorin N, J.; Gutierrez C, A.; Gonzalez M, P.R.; Lopez E, J.; Fuentes Z, G.A.; Cordoba, A.

    1992-02-01

    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)

  12. 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)

  13. 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.

  14. 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

  15. X-ray spectroscopy results for the pristine nanosilver solution and solution after undergoing the specific usage scenario

    Data.gov (United States)

    U.S. Environmental Protection Agency — The results demonstrate the Ag 3d5/2-3/2 spectrum of the pristine AgNPs. Furthermore, the XAS spectra from the analysis of the nanosilver solution (ASAP-AGX-32)...

  16. Theory of optical spectra of solvated electrons

    International Nuclear Information System (INIS)

    Kestner, N.R.

    1975-01-01

    During the last few years better theoretical models of solvated electron have been developed. These models allow one to calculate a priori the observable properties of the trapped electron. One of the most important and most widely determined properties is the optical spectrum. In this paper we consider the predictions of the theories not only as to the band maximum but line shape and width. In addition we will review how the theories predict these will depend on the solvent, pressure, temperature, and solvent density. In all cases extensive comparisons will be made with experimental work. In addition four new areas will be explored and recent results will be presented. These concern electrons in dense polar gases, the time development of the solvated electron spectrum, solvated electrons in mixed solvents, and photoelectron emission spectra (PEE) as it relates to higher excited states. This paper will review all recent theoretical calculations and present a critical review of the present status and future developments which are anticipated. The best theories are quite successful in predicting trends, and qualitative agreement concerning band maximum. The theory is still weak in predicting line shape and line width

  17. Mass spectra of alicylic compounds Pt. 8

    International Nuclear Information System (INIS)

    Remane, H.; Haufe, G.

    1980-01-01

    Mass spectrometric fragmentation of C 5 -C 8 as well as C 12 ring systems of tBHC and tBMC is discussed and compared to the fragmentation of Br-, hydroxy- and methoxy cycloalkanes of similar ring sizes. The dominant processes are the splitting of the functional groups yielding M-H 2 O 1+ , M-HOCH 3 1+ and M-Br 1+ fragments, and the disintegration of the rings producing C 3 H 4 X 1+ fragments (X=Br, OH, OCH 3 ). Intensities of the more important fragments correspond to the size of the ring. The isomers can be distinguished by their mass spectra due to the inequality of the intensities of the trans- and cis-forms of BHC and BMC. Functional groups influence mass spectrometric fragmentation as it is indicated by the correlation of the fragments of the bis-functional tBHC and tBMC and the fragments of monofractional compounds. (Sz.J.)

  18. On temperature spectra in grid turbulence

    International Nuclear Information System (INIS)

    Jayesh; Tong, C.; Warhaft, Z.

    1994-01-01

    This paper reports wind tunnel measurements of passive temperature spectra in decaying grid generated turbulence both with and without a mean transverse temperature gradient. The measurements cover a turbulence Reynolds number range 60 l 3/4 l . The remarkably low Reynolds number onset (Re l ∼70) of Kolmogorov--Obukhov--Corrsin scaling in isotropic grid turbulence is contrasted to the case of scalars in (anisotropic) shear flows where KOC scaling only appears at very high-Reynolds numbers (Re l ∼10 5 ). It is also shown that when the temperature fluctuations are inserted very close to the grid in the absence of a gradient (by means of a mandoline), the temperature spectrum behaves in a similar way to the linear gradient case, i.e., a spectrum with a scaling exponent close to -5/3 is observed, a result noted earlier in heated grid experiments. However, when the scalar is inserted farther downstream of the grid (in the fully developed turbulence), the spectrum has a scaling region of -1.3 and its dilation with Re is less well defined than for the other cases. The velocity spectrum is also shown to have a scaling region, of slope -1.3, and its onset occurs at higher Reynolds number than for the case of the scalar experiments that exhibit the KOC scaling

  19. Evaluating Lyapunov exponent spectra with neural networks

    International Nuclear Information System (INIS)

    Maus, A.; Sprott, J.C.

    2013-01-01

    Highlights: • Cross-correlation is employed to remove spurious Lyapunov exponents from a spectrum. • Neural networks are shown to accurately model Lyapunov exponent spectra. • Neural networks compare favorably to local linear fits in modeling Lyapunov exponents. • Numerical experiments are performed with time series of varying length and noise. • Methods perform reasonably well on discrete time series. -- Abstract: A method using discrete cross-correlation for identifying and removing spurious Lyapunov exponents when embedding experimental data in a dimension greater than the original system is introduced. The method uses a distribution of calculated exponent values produced by modeling a single time series many times or multiple instances of a time series. For this task, global models are shown to compare favorably to local models traditionally used for time series taken from the Hénon map and delayed Hénon map, especially when the time series are short or contaminated by noise. An additional merit of global modeling is its ability to estimate the dynamical and geometrical properties of the original system such as the attractor dimension, entropy, and lag space, although consideration must be taken for the time it takes to train the global models

  20. Estimating Eulerian spectra from pairs of drifters

    Science.gov (United States)

    LaCasce, Joe

    2017-04-01

    GPS-tracked surface drifters offer the possibility of sampling energetic variations at the ocean surface on scales of only 10s of meters, much less than that resolved by satellite. Here we investigate whether velocity differences between pairs of drifters can be used to estimate kinetic energy spectra. Theoretical relations between the spectrum and the second-order longitudinal structure function for 2D non-divergent flow are derived. The structure function is a natural statistic for particle pairs and is easily calculated. However it integrates contributions across wavenumber, and this tends to obscure the spectral dependencies when turbulent inertial ranges are of finite extent. Nevertheless, the transform from spectrum to structure function is robust, as illustrated with Eulerian data collected from aircraft. The inverse transform, from structure function to spectrum, is much less robust, yielding poor results in particular at large wavenumbers. This occurs because the transform involves a filter function which magnifies contributions from large pair separations, which tend to be noisy. Fitting the structure function to a polynomial improves the spectral estimate, but not sufficiently to distinguish correct inertial range dependencies. Thus with Lagrangian data, it is appears preferable to focus on structure functions, despite their shortcomings.

  1. 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

  2. Inflationary power spectra with quantum holonomy corrections

    Energy Technology Data Exchange (ETDEWEB)

    Mielczarek, Jakub, E-mail: jakub.mielczarek@uj.edu.pl [Institute of Physics, Jagiellonian University, Reymonta 4, Cracow, 30-059 Poland (Poland)

    2014-03-01

    In this paper we study slow-roll inflation with holonomy corrections from loop quantum cosmology. It was previously shown that, in the Planck epoch, these corrections lead to such effects as singularity avoidance, metric signature change and a state of silence. Here, we consider holonomy corrections affecting the phase of cosmic inflation, which takes place away from the Planck epoch. Both tensor and scalar power spectra of primordial inflationary perturbations are computed up to the first order in slow-roll parameters and V/ρ{sub c}, where V is a potential of the scalar field and ρ{sub c} is a critical energy density (expected to be of the order of the Planck energy density). Possible normalizations of modes at short scales are discussed. In case the normalization is performed with use of the Wronskian condition applied to adiabatic vacuum, the tensor and scalar spectral indices are not quantum corrected in the leading order. However, by choosing an alternative method of normalization one can obtain quantum corrections in the leading order. Furthermore, we show that the holonomy-corrected equations of motion for tensor and scalar modes can be derived based on effective background metrics. This allows us to show that the classical Wronskian normalization condition is well defined for the cosmological perturbations with holonomy corrections.

  3. Collapse postulate for observables with continuous spectra

    International Nuclear Information System (INIS)

    Srinivas, M.D.; Madras Univ.

    1980-01-01

    In order to provide a mathematical framework for discussing the statistical correlations between the outcomes, when an arbitrary sequence of observables are measured, it is necessary to generalize the conventional von Neumann-Lueders collapse postulate to observables with a continuous spectrum. It is shown that the standard prescription in conventional quantum theory for the joint probabilities of compatible observables is sufficient to characterize, more or less completely, the appropriate 'generalized collapse postulate' which associates with each observable a unique 'finitely additive expectation valued measure'. An interesting feature of the collapse associated with observables with continuous spectra, which again follows from the basic principles of conventional quantum theory, is that it must be formulated in terms of the so-called non-normal conditional expectations, which implies that the joint probabilities associated with successive observations of such observables are not in general sigma-additive. The implications of this non-sigma-additivity on the determination of expectation values, correlation functions etc., are also investigated. It is demonstrated that the basic prescriptions introduced in this paper constitute a natural completion of the framework of conventional quantum theory for discussing the statistics of an arbitrary sequence of observations. (orig.) 891 HJ/orig. 892 CKA

  4. Efficiency and yield spectra of inorganic scintillates

    International Nuclear Information System (INIS)

    Rodnyi, P.A.

    1998-01-01

    Recent developments in the field of energy loss in inorganic scintillators are reviewed. The main parameters, which control the fundamental limit of the scintillator energy efficiency, are determined. It is shown that together with simple cascade processes one should take into account the production of plasmons to estimate the energy efficiency of scintillators or other phosphors excited by an ionizing radiation. Core-to-valence luminescence related to 5pCs→3pCl transitions is investigated in some chlorides: CsCl, KCl, RbCl, NaCl, KCaCl 3 , RbCaCl 3 . The yield spectra of the crystals in the VUV and X-ray regions are also studied. It is shown that the 4pRb-core states are involved in the process of creation of holes in the 5pCs-core band in Rb-based crystals. The formation of holes in the potassium core band acts as a competing process and suppresses the radiative core-to-valence transitions

  5. 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.

  6. Emissive spectra of shock-heated argon

    International Nuclear Information System (INIS)

    Tang Jingyou; Gu Yan; Peng Qixian; Bai Yulin; Li Ping

    2003-01-01

    To study the radiant properties of argon under weak shock compression, an aluminum target filled with gaseous argon at ambient states was impacted by a tungsten alloy projectile which was launched from a two-stage light gun to 2.00 km/s. The radiant signals of single shock-compressed argon were recorded by a six-channel pyrometer and oscilloscopes, which varied with time linearly for the five channels from 405 nm to 700 nm and exponentially for the channel 800 nm, and the corresponding velocity of shock wave was determined to be 4.10 ± 0.09 km/s. By the present experiment, it has been shown that the absorbability of the shock-heated argon is low for visual light and the optical depths of argon gas turn from thin to thick as wavelengths gradually increase. The time-resolved spectra in the rising-front of the radiant signal in the re-shocked argon were recorded by means of an OMA, and strong emissive spectrum bands near 450 nm light-wave length but no linear spectrum were found. The emissive spectrum properties of shock-compression argon were qualitatively explained by the state parameters and ionization degree

  7. [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.

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

    International Nuclear Information System (INIS)

    Esbelin, E.

    2015-01-01

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

  9. Vibrational infrared and Raman spectra of polypeptides: Fragments-in-fragments within molecular tailoring approach

    Energy Technology Data Exchange (ETDEWEB)

    Sahu, Nityananda; Gadre, Shridhar R., E-mail: gadre@iitk.ac.in [Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016 (India)

    2016-03-21

    The present work reports the calculation of vibrational infrared (IR) and Raman spectra of large molecular systems employing molecular tailoring approach (MTA). Further, it extends the grafting procedure for the accurate evaluation of IR and Raman spectra of large molecular systems, employing a new methodology termed as Fragments-in-Fragments (FIF), within MTA. Unlike the previous MTA-based studies, the accurate estimation of the requisite molecular properties is achieved without performing any full calculations (FC). The basic idea of the grafting procedure is implemented by invoking the nearly basis-set-independent nature of the MTA-based error vis-à-vis the respective FCs. FIF has been tested out for the estimation of the above molecular properties for three isomers, viz., β-strand, 3{sub 10}- and α-helix of acetyl(alanine){sub n}NH{sub 2} (n = 10, 15) polypeptides, three conformers of doubly protonated gramicidin S decapeptide and trpzip2 protein (PDB id: 1LE1), respectively, employing BP86/TZVP, M06/6-311G**, and M05-2X/6-31G** levels of theory. For most of the cases, a maximum difference of 3 cm{sup −1} is achieved between the grafted-MTA frequencies and the corresponding FC values. Further, a comparison of the BP86/TZVP level IR and Raman spectra of α-helical (alanine){sub 20} and its N-deuterated derivative shows an excellent agreement with the existing experimental spectra. In view of the requirement of only MTA-based calculations and the ability of FIF to work at any level of theory, the current methodology provides a cost-effective solution for obtaining accurate spectra of large molecular systems.

  10. Library of sophisticated functions for analysis of nuclear spectra

    Science.gov (United States)

    Morháč, Miroslav; Matoušek, Vladislav

    2009-10-01

    In the paper we present compact library for analysis of nuclear spectra. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. The functions can process one- and two-dimensional spectra. The software described in the paper comprises a number of conventional as well as newly developed methods needed to analyze experimental data. Program summaryProgram title: SpecAnalysLib 1.1 Catalogue identifier: AEDZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDZ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 42 154 No. of bytes in distributed program, including test data, etc.: 2 379 437 Distribution format: tar.gz Programming language: C++ Computer: Pentium 3 PC 2.4 GHz or higher, Borland C++ Builder v. 6. A precompiled Windows version is included in the distribution package Operating system: Windows 32 bit versions RAM: 10 MB Word size: 32 bits Classification: 17.6 Nature of problem: The demand for advanced highly effective experimental data analysis functions is enormous. The library package represents one approach to give the physicists the possibility to use the advanced routines simply by calling them from their own programs. SpecAnalysLib is a collection of functions for analysis of one- and two-parameter γ-ray spectra, but they can be used for other types of data as well. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. Solution method: The algorithms of background estimation are based on Sensitive Non-linear Iterative Peak (SNIP) clipping algorithm. The smoothing algorithms are based on the convolution of the original data with several types of filters and algorithms based on discrete

  11. Condensed heterocycles with a thiazole ring. 13. Azinothiazoloquinoxalinium salts

    International Nuclear Information System (INIS)

    Nesterenko, Yu.A.; Romanov, N.N.

    1987-01-01

    The condensation of 2,3-dichloroquinoxaline with 2-mercaptopyridines and 2-mercaptoquinolines gave the corresponding derivatives of new heterocyclic systems, viz., azino[1',2':3,2]thaizolo[4,5-b]quinoxalinium salts, which can be used for the synthesis of cyanine dyes. The electronic spectra of solutions of the compounds were obtained with an SF-8 spectrophotometer. The PMR spectra of solutions of CF 3 COOD were recorded with a BS-467 spectrometer (60 MHz) with hexamethyldisiloxane (HMDS) as the external standard

  12. 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)

  13. Use and generation of floor response spectra

    International Nuclear Information System (INIS)

    Ordonez Villalobos, A.

    1983-01-01

    One of the main objectives of the dynamic analysis of the structures of a nuclear power plant is the determination of the dynamic input that these structures transmit to the equipment and substructures they support, usually given as Floor Response Spectra (FRS). A close collaboration and feedback between the different groups that use and develop the FRS, is considered to be a very important factor in order to adapt the scope and content of the FRS to the precision required for a proper analysis or testing of the equipment; not only for the action of simple events but also for multiple combined actions. These aspects should be evaluated not only in the final stages of qualification of the equipment users schedules do not coincide with the schedules of the analysis group that develops the FRS. Different mechanisms of interchange of information and colaboration are suggested in order to optimize the availability, use and production of FRS. In the aspect of FRS generation, different procedures are reviewed including the direct procedures, not only for FRS but also for secondary FRS that are needed for the evaluation of equipment supported on other equipment or subsystems. It is concluded that in many cases, the direct procedures can be developed economically with the advantage that is easy to take into account the variability not only of the transfer function (including damping, stiffness and modal mass ratio). Different probabilities of excedence levels can be stabilized in order to obtain a more realistic dynamic response of the equipment. These last aspects can contribute to a more flexible procedure for the availability and generation of the FRS. (orig./HP)

  14. 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.

  15. 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 1data coverage and signal-to-noise ratio are highly variable, which hampers an automated search. We have therefore begun crowdsourcing a subset of the GALEX archive for LLSs and pLLSs via a Zooniverse project. Initially, undergraduate physics majors are performing a pilot project before releasing to citizen scientists 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.

  16. 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.

  17. Database-Driven Analyses of Astronomical Spectra

    Science.gov (United States)

    Cami, Jan

    2012-03-01

    species to the fullerene species C60 and C70 [4]. Given the large number and variety of molecules detected in space, molecular infrared spectroscopy can be used to study pretty much any astrophysical environment that is not too energetic to dissociate the molecules. At the lowest energies, it is interesting to note that molecules such as CN have been used to measure the temperature of the Cosmic Microwave Background (see e.g., Ref. 15). The great diagnostic potential of infrared molecular spectroscopy comes at a price though. Extracting the physical parameters from the observations requires expertise in knowing how various physical processes and instrumental characteristics play together in producing the observed spectra. In addition to the astronomical aspects, this often includes interpreting and understanding the limitations of laboratory data and quantum-chemical calculations; the study of the interaction of matter with radiation at microscopic scales (called radiative transfer, akin to ray tracing) and the effects of observing (e.g., smoothing and resampling) on the resulting spectra and possible instrumental effects (e.g., fringes). All this is not trivial. To make matters worse, observational spectra often contain many components, and might include spectral contributions stemming from very different physical conditions. Fully analyzing such observations is thus a time-consuming task that requires mastery of several techniques. And with ever-increasing rates of observational data acquisition, it seems clear that in the near future, some form of automation is required to handle the data stream. It is thus appealing to consider what part of such analyses could be done without too much human intervention. Two different aspects can be separated: the first step involves simply identifying the molecular species present in the observations. Once the molecular inventory is known, we can try to extract the physical parameters from the observed spectral properties. For both

  18. Colliding black hole solution

    International Nuclear Information System (INIS)

    Ahmed, Mainuddin

    2005-01-01

    A new solution of Einstein equation in general relativity is found. This solution solves an outstanding problem of thermodynamics and black hole physics. Also this work appears to conclude the interpretation of NUT spacetime. (author)

  19. Anomalous dependence of the lasing parameters of dye solutions on the spectrum of microsecond pump laser pulses

    International Nuclear Information System (INIS)

    Tarkovsky, V V; Kurstak, V Yu; Anufrik, S S

    2003-01-01

    The anomalous dependence of the lasing parameters of ethanol solutions of coumarin, rhodamine, oxazine, and laser dyes of other classes on the spectrum of microsecond pump laser pulses is found. The dependence is determined by the shape of the induced singlet - singlet absorption spectra and absorption spectra of short-lived photoproducts. The elucidation of the influence of these factors makes it possible to choose optimal pump spectra and to enhance the efficiency and stability of microsecond dye lasers. (active media)

  20. PFP solution stabilization

    International Nuclear Information System (INIS)

    Aftanas, B.L.

    1996-01-01

    This Functional Design Criteria (FDC) addresses remediation of the plutonium-bearing solutions currently in inventory at the Plutonium Finishing Plant (PFP). The recommendation from the Environmental Impact Statement (EIS) is that the solutions be treated thermally and stabilized as a solid for long term storage. For solutions which are not discardable, the baseline plan is to utilize a denitration process to stabilize the solutions prior to packaging for storage