WorldWideScience

Sample records for rotationally resolved spectra

  1. Rotationally resolved infrared spectra of the explosive bouquet compounds associated with C-4 explosives

    Science.gov (United States)

    Clasp, Trocia N.; Johnson, Tiffani; Sullivan, Michael N.; Reeve, Scott W.

    2011-05-01

    The explosive material known as Composition C4, or simply C4, is an RDX based military grade explosive. RDX itself possesses a negligible vapor pressure at room temperature suggesting it is not a good target for conventional instruments designed to detect vapor phase chemical compounds. Recent research with canines has indicated that a better approach for detecting explosive vapors such as C4 is to focus on a characteristic mixture of impurities associated with the material. These characteristic mixtures of impurity vapors are referred to by canine researchers as the explosive bouquet and are fairly unique to the specific energetic material. In this paper, we will examine and report rotationally resolved infrared spectral signatures for the known compounds comprising the explosive bouquet for C4 based explosives including isobutylene, 2-ethyl-1-hexanol and cyclohexanone.

  2. Magnetic field dependence of rotationally resolved excitation spectra of the 1B3u 000 transition of jet-cooled pyrazine

    NARCIS (Netherlands)

    Jonkman, Harry Th.; Drabe, Karel E.

    1991-01-01

    We report rotationally resolved excitation spectra of the 1B3u 000 transition of jet-cooled pyrazine in magnetic fields up to 50 kG. The emission intensity of every rotational line is found to decrease by a factor of three for magnetic fields larger than about 300 G. For still larger magnetic fields

  3. MAGNETIC-FIELD DEPENDENCE OF ROTATIONALLY RESOLVED EXCITATION-SPECTRA OF THE B-1(3U)0(0)(0) TRANSITION OF JET-COOLED PYRAZINE

    NARCIS (Netherlands)

    DELANGE, PJ; JONKMAN, HT; DRABE, KE

    1991-01-01

    We report rotationally resolved excitation spectra of the 1B3u 0(0)0 transition of jet-cooled pyrazine in magnetic fields up to 50 kG. The emission intensity of every rotational line is found to decrease by a factor of three for magnetic fields larger than about 300 G. For still larger magnetic fiel

  4. Rotationally resolved water dimer spectra in atmospheric air and pure water vapour in the 188-258 GHz range.

    Science.gov (United States)

    Serov, E A; Koshelev, M A; Odintsova, T A; Parshin, V V; Tretyakov, M Yu

    2014-12-21

    New experimental results regarding "warm" water dimer spectra under equilibrium conditions are presented. An almost equidistant series of six peaks corresponding to the merged individual lines of the bound dimer with consecutive rotational quantum numbers is studied in the 188-258 GHz frequency range in water vapour over a broad range of pressures and temperatures relevant to the Earth's atmosphere. The series is a continuation of the sequence detected earlier at lower frequencies at room temperature. The signal-to-noise ratio of the observed spectra allowed investigating their evolution, when water vapour was diluted by atmospheric air with partial pressure from 0 up to 540 Torr. Analysis of the obtained spectra permitted determining the dimerization constant as well as the hydrogen bond dissociation energy and the dimer spectral parameters, including the average coefficient of collisional broadening of individual lines by water vapour and air. The manifestation of metastable states of the dimer in the observed spectra is assessed. The contribution of three possible pair states of water molecules to the second virial coefficient is evaluated over the broad range of temperatures. The work supports the significant role of the water dimer in atmospheric absorption and related processes.

  5. Electronic spectra of 2- and 3-tolunitrile in the gas phase. I. A study of methyl group internal rotation via rovibronically resolved spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz-Santoyo, José Arturo; Álvarez-Valtierra, Leonardo, E-mail: leoav@fisica.ugto.mx [División de Ciencias e Ingenierías, Universidad de Guanajuato, León, Guanajuato 37150, México (Mexico); Wilke, Josefin; Wilke, Martin; Schmitt, Michael [Institut für Physikalische Chemie, Heinrich-Heine-Universität, 40225 Düsseldorf (Germany); Yi, John T. [Department of Chemistry, Winston-Salem State University, Winston-Salem, North Carolina 27110 (United States); Pratt, David W. [Department of Chemistry, University of Vermont, Burlington, Vermont 05405 (United States)

    2016-01-28

    Rotationally resolved fluorescence excitation spectra of the origin bands in the S{sub 1}←S{sub 0} transition of 2-tolunitrile (2TN) and 3-tolunitrile (3TN) have been recorded in the collision-free environment of a molecular beam. Analyses of these data provide the rotational constants of each molecule and the potential energy curves governing the internal rotation of the attached methyl groups in both electronic states. 2TN exhibits much larger barriers along this coordinate than 3TN. Interestingly, the electronic transition dipole moment in both molecules is markedly influenced by the position of the attached methyl group rather than the position of the cyano group; possible reasons for this intriguing behavior are discussed.

  6. Accurate ab initio dipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands

    Science.gov (United States)

    Tyuterev, Vladimir G.; Kochanov, Roman V.; Tashkun, Sergey A.

    2017-02-01

    Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. The analytical DMS representation used for the fit of ab initio points provides better behavior for large nuclear displacements than that of previous studies. Various DMS models were derived and tested. Vibration-rotation line intensities of 16O3 were calculated from these ab initio surfaces by the variational method using two different potential functions determined in our previous works. For the first time, a very good agreement of first principle calculations with the experiment was obtained for the line-by-line intensities in rotationally resolved ozone spectra in a large far- and mid-infrared range. This includes high overtone and combination bands up to Δ V = 6. A particular challenge was a correct description of the B-type bands (even Δ V3 values) that represented major difficulties for the previous ab initio investigations and for the empirical spectroscopic models. The major patterns of various B-type bands were correctly described without empirically adjusted dipole moment parameters. For the 10 μ m range, which is of key importance for the atmospheric ozone retrievals, our ab initio intensity results are within the experimental error margins. The theoretical values for the strongest lines of the ν3 band lie in general between two successive versions of HITRAN (HIgh-resolution molecular TRANsmission) empirical database that corresponded to most extended available sets of observations. The overall qualitative agreement in a large wavenumber range for rotationally resolved cold and hot ozone bands up to about 6000 cm-1 is achieved here for the first time. These calculations reveal that several weak bands are yet missing from available spectroscopic databases.

  7. Accurate ab initio dipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands.

    Science.gov (United States)

    Tyuterev, Vladimir G; Kochanov, Roman V; Tashkun, Sergey A

    2017-02-14

    Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. The analytical DMS representation used for the fit of ab initio points provides better behavior for large nuclear displacements than that of previous studies. Various DMS models were derived and tested. Vibration-rotation line intensities of (16)O3 were calculated from these ab initio surfaces by the variational method using two different potential functions determined in our previous works. For the first time, a very good agreement of first principle calculations with the experiment was obtained for the line-by-line intensities in rotationally resolved ozone spectra in a large far- and mid-infrared range. This includes high overtone and combination bands up to ΔV = 6. A particular challenge was a correct description of the B-type bands (even ΔV3 values) that represented major difficulties for the previous ab initio investigations and for the empirical spectroscopic models. The major patterns of various B-type bands were correctly described without empirically adjusted dipole moment parameters. For the 10 μm range, which is of key importance for the atmospheric ozone retrievals, our ab initio intensity results are within the experimental error margins. The theoretical values for the strongest lines of the ν3 band lie in general between two successive versions of HITRAN (HIgh-resolution molecular TRANsmission) empirical database that corresponded to most extended available sets of observations. The overall qualitative agreement in a large wavenumber range for rotationally resolved cold and hot ozone bands up to about 6000 cm(-1) is achieved here for the first time. These calculations reveal that several weak bands are yet missing from available spectroscopic databases.

  8. Rotational spectra and molecular structure

    CERN Document Server

    Wollrab, James E

    1967-01-01

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

  9. Rotationally resolved electronic spectroscopy of 5-methoxyindole.

    Science.gov (United States)

    Brand, Christian; Oeltermann, Olivia; Pratt, David; Weinkauf, Rainer; Meerts, W Leo; van der Zande, Wim; Kleinermanns, Karl; Schmitt, Michael

    2010-07-14

    Rotationally resolved electronic spectra of the vibrationless origin and of eight vibronic bands of 5-methoxyindole (5MOI) have been measured and analyzed using an evolutionary strategy approach. The experimental results are compared to the results of ab initio calculations. All vibronic bands can be explained by absorption of a single conformer, which unambiguously has been shown to be the anti-conformer from its rotational constants and excitation energy. For both anti- and syn-conformers, a (1)L(a)/(1)L(b) gap larger than 4000 cm(-1) is calculated, making the vibronic coupling between both states very small, thereby explaining why the spectrum of 5MOI is very different from that of the parent molecule, indole.

  10. 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 ma

  11. 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.

  12. A Hybrid Program for Fitting Rotationally Resolved Spectra of Floppy Molecules with One Large-Amplitude Rotatory Motion and One Large-Amplitude Oscillatory Motion

    Science.gov (United States)

    Kleiner, Isabelle; Hougen, Jon T.

    2015-01-01

    A new hybrid-model fitting program for methylamine-like molecules has been developed, based on an effective Hamiltonian in which the ammonia-like inversion motion is treated using a tunneling formalism, while the internal-rotation motion is treated using an explicit kinetic energy operator and potential energy function. The Hamiltonian in the computer program is set up as a 2×2 partitioned matrix, where each diagonal block contains a traditional torsion-rotation Hamiltonian (as in the earlier program BELGI), and the two off-diagonal blocks contain tunneling terms. This hybrid formulation permits the use of the permutation-inversion group G6 (isomorphic to C3v) for terms in the two diagonal blocks, but requires G12 for terms in the off-diagonal blocks. The first application of the new program is to 2-methylmalonaldehyde. Microwave data for this molecule were previously fit using an all-tunneling Hamiltonian formalism to treat both large-amplitude-motions. For 2-methylmalonaldehyde, the hybrid program achieves the same quality of fit as was obtained with the all-tunneling program, but fits with the hybrid program eliminate a large discrepancy between internal rotation barriers in the OH and OD isotopologs of 2-methylmalonaldehyde that arose in fits with the all-tunneling program. This large isotopic shift in internal rotation barrier is thus almost certainly an artifact of the all-tunneling model. Other molecules for application of the hybrid program are mentioned. PMID:26439709

  13. Rotational Spectra of Phenylalanine, Tirosine and Tryptophan

    Science.gov (United States)

    Mata, S.; Perez, C.; Sanz, M. E.; Blanco, S.; López, J. C.; Alonso, J. L.

    2009-06-01

    The rotational spectra of the aromatic natural amino acids phenylalanine, tyrosine and tryptophan have been investigated by Laser Ablation Molecular Beam Fourier transform Microwave Spectroscopy LA-MB-FTMW. The spectra of two rotamers of phenylalanine have been detected in the supersonic expansion. Both forms are stabilized by a chain of intramolecular hydrogen bonds O-H\\cdotsN-H\\cdots{π}, being the carboxylic group incis configuration. One conformer of tyrosine, which only differs from phenylalanine in a -OH group inpara position, has been also characterized. Preliminary results on the rotational spectrum of tryptophan are presented.

  14. Measuring Speed Of Rotation With Two Brushless Resolvers

    Science.gov (United States)

    Howard, David E.

    1995-01-01

    Speed of rotation of shaft measured by use of two brushless shaft-angle resolvers aligned so electrically and mechanically in phase with each other. Resolvers and associated circuits generate voltage proportional to speed of rotation (omega) in both magnitude and sign. Measurement principle exploits simple trigonometric identity.

  15. TIME—RESOLVED X—RAY SPECTRA AND ATOMIC PROCESSES

    Institute of Scientific and Technical Information of China (English)

    TakakoKATO

    1990-01-01

    In this article we will discuss time-resolved He-like X-ray spectra of titanium ions from a TFTR tokamak plasma[1] and of iron ions from solar flares[2] in particular attention to a presence of high energy electrons which affect the spectra and ionization balances.We consider a model that a hot component interacts with a bulk plasma.With this model,the time evolution of the spectra and ionization balaces derived therefrom can be described consistently.

  16. Time-resolved luminescence spectra of porous Si

    OpenAIRE

    Miyoshi, Tadaki; Lee, Kyu-Seok; Aoyagi, Yoshinobu

    1992-01-01

    Time-resolved luminescence spectra of porous Si were measured under an N_2 laser excitation. The luminescence shows a nonexponential decay with an initial time constant of less than 5 ns and more than 200 ns for the secondary decay. The luminescence is considered to be associated with localized states, which are probably conduction and valence sublevels in Si microstructures.

  17. Phase-resolved spectra of burst oscillations in Neutron Stars

    Science.gov (United States)

    Zoghbi, Abderahmen; Miller, Jon M.

    2017-08-01

    Millisecond oscillations have been observed during thermonuclear bursts from many neutron stars (NS) in LMXBs. Their periods are comparable to the rotational period of the NS, and are thought to be produced by temperature anisotropies on the NS surface. Understanding and correcly modeling these oscillation is a powerful tool to constrain the NS interior. Studying these oscillations has thus far focused on modeling the oscillation profile form these pulsations using mostly XTE data. Here, we take a different approach and extract spectra at different phases of the oscillations. This allows us track the observed spectrum as the NS rotates. We are able to measure temperature changes as the star rotates. The temperature profiles from some bursts show asymetries likely due to Doppler effects. Here, we present detailed results from the phase spectra and discuss their implications on measurements of NS masses and radii.

  18. Decoding Pure Rotational Molecular Spectra for Asymmetric Molecules

    CERN Document Server

    Cooke, S A

    2012-01-01

    In this paper we demonstrate how asymmetric molecular rotational spectra may be introduced to students both "pictorially" and with simple formulae. It is shown that the interpretation of such spectra relies heavily upon pattern recognition. The presentation of some common spectral patterns in near-prolate asymmetric rotational spectra provides a means by which spectral assignment, and approximate rotational constant determination, may be usefully explored in the physics and chemistry classrooms. To aid in this endeavor we have created a supporting, free, web page and mobile web page.

  19. Resolving the bulk ion region of millimeter-wave collective Thomson scattering spectra at ASDEX Upgrade

    Energy Technology Data Exchange (ETDEWEB)

    Stejner, M., E-mail: mspe@fysik.dtu.dk; Nielsen, S.; Jacobsen, A. S.; Korsholm, S. B.; Leipold, F.; Meo, F.; Michelsen, P. K.; Rasmussen, J.; Salewski, M. [Department of Physics, Association EURATOM-DTU, Technical University of Denmark, DK-2800 Kgs. Lyngby (Denmark); Moseev, D. [Max-Planck-Institut für Plasmaphysik, EURATOM-Association, Boltzmannstr. 2, 85748 Garching (Germany); Association Euratom-FOM Institute DIFFER, 3430 BE Nieuwegein (Netherlands); Schubert, M.; Stober, J.; Wagner, D. H. [Max-Planck-Institut für Plasmaphysik, EURATOM-Association, Boltzmannstr. 2, 85748 Garching (Germany)

    2014-09-15

    Collective Thomson scattering (CTS) measurements provide information about the composition and velocity distribution of confined ion populations in fusion plasmas. The bulk ion part of the CTS spectrum is dominated by scattering off fluctuations driven by the motion of thermalized ion populations. It thus contains information about the ion temperature, rotation velocity, and plasma composition. To resolve the bulk ion region and access this information, we installed a fast acquisition system capable of sampling rates up to 12.5 GS/s in the CTS system at ASDEX Upgrade. CTS spectra with frequency resolution in the range of 1 MHz are then obtained through direct digitization and Fourier analysis of the CTS signal. We here describe the design, calibration, and operation of the fast receiver system and give examples of measured bulk ion CTS spectra showing the effects of changing ion temperature, rotation velocity, and plasma composition.

  20. Hyperfine Structure in Rotational Spectra of Deuterated Molecules: the Hds and ND_3 Case Studies

    Science.gov (United States)

    Cazzoli, Gabriele; Puzzarini, Cristina

    2016-06-01

    The determination of hyperfine parameters (quadrupole-coupling, spin-spin coupling, and spin-rotation constants) is one of the aims of high-resolution rotational spectroscopy. These parameters are relevant not only from a spectroscopic point of view, but also from a physical and/or chemical viewpoint, as they might provide detailed information on the chemical bond, structure, etc. In addition, the hyperfine structure of rotational spectra is so characteristic that its analysis may help in assigning the spectra of unknown species. In astronomical observations, hyperfine structures of rotational spectra would allow us to gain information on column densities and kinematics, and the omission of taking them into account can lead to a misinterpretation of the line width of the molecular emission lines. Nevertheless, the experimental determination of hyperfine constants can be a challenge not only for actual problems in resolving hyperfine structures themselves, but also due to the lack of reliable estimates or the complexity of the hyperfine structure itself. It is thus important to be able to rely on good predictions for such parameters, which can nowadays be provided by quantum-chemical calculations. In fact, the fruitful interplay of experiment and theory will be demonstrated by means of two study cases: the hypefine structure of the rotational spectra of HDS and ND_3. From an experimental point of view, the Lamb-dip technique has been employed to improve the resolving power in themillimeter- and submillimeterwave frequency range by at least one order of magnitude, thus making it possible to perform sub-Doppler measurements as well as to resolve narrow hyperfine structures. Concerning theory, it will be demonstrated that high-level calculations can provide quantitative estimates for hyperfine parameters (quadrupole coupling constants, spin-rotation tensors, spin-spin couplings, etc.) and shown how theoretical predictions are often essential for a detailed analysis of

  1. Spectra-resolved technique of a sensitive time-resolved fluorescence immunoassay instrument

    Science.gov (United States)

    Guo, Zhouyi; Tian, Zhen; Jia, Yali

    2004-07-01

    The lanthanide trivalence ion and its chelates are used for marking substance in time-resolved fluorescence immunoassay (TRFIA), marking the protein, hormone, antibody, nucleic acid probe or biologica alive cell, to measure the concentration of the analysis substance inside the reaction system with time-resolved fluorometry after the reaction system occurred, and attain the quantitative analysis's purpose. TRFIA has been become a kind of new and more sensitive measure method after radioisotope marking, enzymatic marking, chemiluminescence, electrochemiluminescence, it primarily is decided by the special physics and chemistry characteristic of lanthanide trivalence ion and its chelates. In this paper, the result of spectroscopic evaluation of europium trivalence ion and its chelate, and the principle of spectra-resolved technology and a sensitive time-resolved fluorescence immunoassay instrument made by ourselves are reported. In the set, a high frequency Xenon pulsed-light was adopted as exciting light, and two special filters was utilized according to spectra-resolved technique. Thus the influence of scattering light and short-lifetime fluorescence was removed. And the sensitivity is 10-12mol/L (when Eu3+ was used for marking substance), examination repeat is CV = 95% (p < 0.01).

  2. Submillimeter-Wave Rotational Spectra of DNC

    Science.gov (United States)

    Amano, T.

    2011-06-01

    Spectroscopic investigations of DNC have been less extensive than those for HNC. See Brünken et al. and Bechtel et al. for relevant references. In the present investigation, rotational transitions of DNC have been observed in the submillimeter-wave region in an extended negative glow discharge in a gas mixture of CD_4 and N_2. The dissociative recombination reaction of DCND^+ with electrons is thought to be a dominant channel to produce DNC in highly excited vibrational states; the rotational lines in levels up to (008) are observed. The rotational and centrifugal distortion constants are determined for these states along with those for the (100) state. The measurement accuracy is high enough to determine some higher order vibration-rotation interaction constants. The least-squares fits were straightforward except for (004), (006), and (008), where very small but significant perturbations were found. A striking isotope effect was observed on the vibrational temperature in this investigation. The vibrational temperature for the ν_3 mode for DNC is as high as 4000 K and the rotational transitions are observable in states up to (008), while the corresponding temperature is about 1500 K for HNC. The vibrational temperature for the ν_1 mode is about 1000 K for DNC and about 1300 K for HNC. The bending vibrational mode is not excited, and the vibrational temperature for the ν_2 mode is only about 400 K. The origin of this conspicuous excitation of the ν_3 mode of DNC is not obvious. However, it should be closely related to mechanism of the dissociation of HCNH and DCND. Apparently the difference in the masses of the departing H/D is a factor causing this difference, but the vibrational temperature for ν_3 of DCN is not particularly high, about 1000 K. When the D atom departs from the D-C side, apparently the C-N vibration is highly excited. On the other hand, when the D-N bond is broken, not much excitation of the C-N vibration occurs. S. Brünken, H. S. P. M

  3. Rotationally resolved spectroscopy of dwarf planet (136472) Makemake

    CERN Document Server

    Lorenzi, V; Licandro, J

    2015-01-01

    Context. Icy dwarf planets are key for studying the chemical and physical states of ices in the outer solar system. The study of secular and rotational variations gives us hints of the processes that contribute to the evolution of their surface. Aims. The aim of this work is to search for rotational variability on the surface composition of the dwarf planet (136472) Makemake Methods. We observed Makemake in April 2008 with the medium-resolution spectrograph ISIS, at the William Herschel Telescope (La Palma, Spain) and obtained a set of spectra in the 0.28 - 0.52 {\\mu}m and 0.70 - 0.95 {\\mu}m ranges, covering 82% of its rotational period. For the rotational analysis, we organized the spectra in four different sets corresponding to different rotational phases, and after discarding one with low signal to noise, we analyzed three of them that cover 71% of the surface. For these spectra we computed the spectral slope and compared the observed spectral bands of methane ice with reflectances of pure methane ice to s...

  4. Virtual detector methods for efficiently computing momentum-resolved dissociation and ionization spectra

    Science.gov (United States)

    Kramer, Alex; Thumm, Uwe

    2016-05-01

    We discuss a class of window-transform-based ``virtual detector'' methods for computing momentum-resolved dissociation and ionization spectra by numerically analyzing the motion of nuclear or electronic quantum-mechanical wavepackets at the periphery of their numerical grids. While prior applications of such surface-flux methods considered semi-classical limits to derive ionization and dissociation spectra, we systematically include quantum-mechanical corrections and extensions to higher dimensions, discussing numerical convergence properties and the computational efficiency of our method in comparison with alternative schemes for obtaining momentum distributions. Using the example of atomic ionization by co- and counter-rotating circularly polarized laser pulses, we scrutinize the efficiency of common finite-difference schemes for solving the time-dependent Schrödinger equation in virtual detection and standard Fourier-transformation methods for extracting momentum spectra. Supported by the DoE, NSF, and Alexander von Humboldt foundation.

  5. Complex structure of spatially resolved high-order-harmonic spectra

    Science.gov (United States)

    Catoire, F.; Ferré, A.; Hort, O.; Dubrouil, A.; Quintard, L.; Descamps, D.; Petit, S.; Burgy, F.; Mével, E.; Mairesse, Y.; Constant, E.

    2016-12-01

    We investigate the spatiospectral coupling appearing in the spatially resolved high-order-harmonic spectra generated in gases. When ionization is weak, harmonic generation in the far field often exhibits rings surrounding a central spot centered on each odd harmonics in the spatiospectral domain. The nature of these structures is debated. They could stem from interferences between the emission of short and long trajectories, or could be the signature of the temporal and spatial dependence of the longitudinal phase matching of long trajectories (Maker fringes). We conducted spectrally and spatially resolved measurements of the harmonic spectra as a function of pressure, intensity, and ellipticity. In addition, we performed calculations where only a single emission plane is included (i.e., omitting deliberately the longitudinal phase matching), reproducing the features experimentally observed. This study has been completed by the spatiospectral coupling when strong ionization occurs leading to complex patterns which have been compared to calculations using the same model and also show good agreement. We conclude that many spatiospectral structures of the harmonic spectrum can be interpreted in terms of spatial and temporal transverse coherence of the emitting medium without resorting to longitudinal phase matching or quantum phase interference between short and long trajectories.

  6. A rotating string model versus baryon spectra

    CERN Document Server

    Sonnenschein, Jacob

    2014-01-01

    We continue our program of describing hadrons as rotating strings with massive endpoints. In this paper we propose models of baryons and confront them with the baryon Regge trajectories. We show that these are best fitted by a model of a single string with a quark at one endpoint and a diquark at the other. This model is preferred over the Y-shaped string model with a quark at each endpoint. We show how the model follows from a stringy model of the holographic baryon which includes a baryonic vertex connected with $N_c$ strings to flavor probe branes. From fitting to baryonic data we find that there is no clear evidence for a non-zero baryonic vertex mass, but if there is such a mass it should be located at one of the string endpoints. The available baryon trajectories in the angular momentum plane $(J,M^2)$, involving light, strange, and charmed baryons, are rather well fitted when adding masses to the string endpoints, with a single universal slope $\\alp = 0.95$ GeV$^{-2}$. Most of the results for the quark...

  7. Rotationally Invariant Hamiltonians for Nuclear Spectra Based on Quantum Algebras

    CERN Document Server

    Bonatsos, D; Raychev, P P; Terziev, P A; Bonatsos, Dennis

    2002-01-01

    The rotational invariance under the usual physical angular momentum of the SUq(2) Hamiltonian for the description of rotational nuclear spectra is explicitly proved and a connection of this Hamiltonian to the formalisms of Amal'sky and Harris is provided. In addition, a new Hamiltonian for rotational spectra is introduced, based on the construction of irreducible tensor operators (ITO) under SUq(2) and use of q-deformed tensor products and q-deformed Clebsch-Gordan coefficients. The rotational invariance of this SUq(2) ITO Hamiltonian under the usual physical angular momentum is explicitly proved, a simple closed expression for its energy spectrum (the ``hyperbolic tangent formula'') is introduced, and its connection to the Harris formalism is established. Numerical tests in a series of Th isotopes are provided.

  8. Rotationally resolved IR spectroscopy of hexamethylenetetramine (HMT) C6N4H12

    Science.gov (United States)

    Pirali, O.; Boudon, V.; Carrasco, N.; Dartois, E.

    2014-01-01

    Context. Hexamethylenetetramine (HMT) appears to be a potential constituent of several objects in space, including comets or Titan's atmosphere and, as an organic residue of ice irradiation in the laboratory, it may be present in the interstellar medium. Aims: We performed a laboratory study of rotationally resolved intense IR bands of HMT to provide accurate line positions and synthetic spectra to be used for potential astronomical detections. Methods: We used synchrotron-based high-resolution Fourier transform infrared spectroscopy to record the experimental data. A formalism and programs dedicated to the assignment, analysis, and simulation of absorption spectra of tetrahedral molecules were used to exploit the spectra. Results: Infrared spectra of gas phase HMT were recorded and accurate wavenumbers and molecular parameters for four intense bands located in the 1000-1500 cm-1 spectral range suitable for astronomical searches were derived.

  9. Studying the Stereochemistry of Naproxen Using Rotationally Resolved Electronic Spectroscopy.

    Science.gov (United States)

    Young, Justin W.; Alvarez-Valtierra, Leonardo; Pratt, David W.

    2009-06-01

    Many biochemical processes are stereospecific. An example is the physiological response to a drug that depends on its enantiomeric form. Naproxen is a drug which shows this stereo-specific physiological response. To better understand the stereo specificity of chiral substances, we observed the S_1←S_0 transitions of R- and S-naproxen in the gas phase using rotationally resolved electronic spectroscopy. The results will be discussed.

  10. Rotationally resolved electronic spectroscopy of biomolecules in the gas phase. Melatonin

    Science.gov (United States)

    Yi, John T.; Brand, Christian; Wollenhaupt, Miriam; Pratt, David W.; Leo Meerts, W.; Schmitt, Michael

    2011-07-01

    Rotationally resolved electronic spectra of the A and B bands of melatonin have been analyzed using an evolutionary strategy approach. From a comparison of the ab initio calculated structures of energy selected conformers to the experimental rotational constants, the A band could be shown to be due to a gauche structure of the side chain, while the B band is an anti structure. Both bands show a complicated pattern due to a splitting from the threefold internal rotation of the methyl rotor in the N-acetyl group of the molecules. From a torsional analysis we additionally were able to determine the barriers of the methyl torsion in both electronic states of melatonin B and give an estimate for the change of the barrier upon electronic excitation in melatonin A. The electronic nature of the lowest excited singlet state could be determined to be 1Lb (as in the chromophore indole) from comparison to the results of ab initio calculations.

  11. Rotationally resolved state-to-state photoelectron study of niobium carbide radical

    Science.gov (United States)

    Luo, Zhihong; Huang, Huang; Zhang, Zheng; Chang, Yih-Chung; Ng, C. Y.

    2014-07-01

    By employing the two-color visible (VIS)-ultraviolet (UV) laser photoexcitation scheme and the pulsed field ionization-photoelectron (PFI-PE) detection, we have obtained rovibronically selected and resolved photoelectron spectra for niobium carbide cation (NbC+). The fully rotationally resolved state-to-state VIS-UV-PFI-PE spectra thus obtained allow the unambiguous assignments of rotational photoionization transitions, indicating that the electronic configuration and term symmetry of NbC+(tilde X) ground state are …10σ2 5π4 11σ2 (tilde X1Σ+). Furthermore, the rotational analysis of these spectra yields the ionization energy of NbC [IE(NbC)] to be 56 369.2 ± 0.8 cm-1 (6.9889 ± 0.0001 eV) and the rotation constant B0+ = 0.5681 ± 0.0007 cm-1. The latter value allows the determination of the bond distance r0+ = 1.671 ± 0.001 Å for NbC+(tilde X1Σ+). Based on conservation of energy, the IE(NbC) determined in the present study along with the known IE(Nb) gives the difference of 0 K bond dissociation energies (D0's) for NbC+ and NbC, D0(NbC+) - D0(NbC) = -1855.4 ± 0.9 cm-1 (-0.2300 ± 0.0001 eV). The energetic values and the B0+ constant determined in this work are valuable for benchmarking state-of-the-art ab initio quantum calculations of 4d transition metal-containing molecules.

  12. Rotationally resolved state-to-state photoelectron study of niobium carbide radical

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Zhihong; Huang, Huang; Zhang, Zheng; Chang, Yih-Chung; Ng, C. Y., E-mail: cyng@ucdavis.edu [Department of Chemistry, University of California, Davis, California 95616 (United States)

    2014-07-14

    By employing the two-color visible (VIS)-ultraviolet (UV) laser photoexcitation scheme and the pulsed field ionization-photoelectron (PFI-PE) detection, we have obtained rovibronically selected and resolved photoelectron spectra for niobium carbide cation (NbC{sup +}). The fully rotationally resolved state-to-state VIS-UV-PFI-PE spectra thus obtained allow the unambiguous assignments of rotational photoionization transitions, indicating that the electronic configuration and term symmetry of NbC{sup +}(X{sup ~}) ground state are …10σ{sup 2} 5π{sup 4} 11σ{sup 2} (X{sup ~1}Σ{sup +}). Furthermore, the rotational analysis of these spectra yields the ionization energy of NbC [IE(NbC)] to be 56 369.2 ± 0.8 cm{sup −1} (6.9889 ± 0.0001 eV) and the rotation constant B{sub 0}{sup +} = 0.5681 ± 0.0007 cm{sup −1}. The latter value allows the determination of the bond distance r{sub 0}{sup +} = 1.671 ± 0.001 Å for NbC{sup +}(X{sup ~1}Σ{sup +}). Based on conservation of energy, the IE(NbC) determined in the present study along with the known IE(Nb) gives the difference of 0 K bond dissociation energies (D{sub 0}’s) for NbC{sup +} and NbC, D{sub 0}(NbC{sup +}) − D{sub 0}(NbC) = −1855.4 ± 0.9 cm{sup −1} (−0.2300 ± 0.0001 eV). The energetic values and the B{sub 0}{sup +} constant determined in this work are valuable for benchmarking state-of-the-art ab initio quantum calculations of 4d transition metal-containing molecules.

  13. PGOPHER: A program for simulating rotational, vibrational and electronic spectra

    Science.gov (United States)

    Western, Colin M.

    2017-01-01

    The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

  14. General relativistic spectra of accretion disks around rotating neutron stars

    CERN Document Server

    Bhattacharya, S; Thampan, A V

    2000-01-01

    General relativistic spectra from accretion disks around rotating neutron stars in the appropriate space-time geometry for several different equation of state, spin rates and mass of the compact object have been computed. The analysis involves the computation of the relativistically corrected radial temperature profiles and the effect of Doppler and gravitational red-shifts on the spectra. Light bending effects have been omitted for simplicity. The relativistic spectrum is compared with the Newtonian one and it is shown that the difference between the two is primarily due to the different radial temperature profile for the relativistic and Newtonian disk solutions. To facilitate direct comparison with observations, a simple empirical function has been presented which describes the numerically computed relativistic spectra well. This empirical function (which has three parameters including normalization) also describes the Newtonian spectrum adequately. Thus the function can in principle be used to distinguish...

  15. Assigning the Vibration-Rotation Spectra Using the Lww Program Package

    Science.gov (United States)

    Lodyga, Wieslaw; Kreglewski, Marek

    2016-06-01

    The LWW program package is based on traditional methods used in assigning rotationally resolved IR molecular spectra. The Loomis-Wood diagrams, which are used to visualize spectral branches and facilitate their identification, are combined with the power of interactive lower state combination difference (LSCD) checking, which provides immediate verification of correct assignments of quantum numbers to spectral lines. The traditional Giessen/Cologne type Loomis-Wood algorithm is also implemented. Predictions of vibration-rotation wavenumbers are calculated from a table of vibration-rotation energies, which can be imported from any external fitting program. Program includes many additional tools like simulation of a spectrum from a catalog file (list of transitions with intensities), build-up of a vibration-rotation band from individual branches and simultaneous displaying of two IR spectra - active one used for assignments and a reference one, both with full link to their peak-list files. Importing energies as well as exporting assigned data for fitting in an external program is made easy and flexible by a user-programmed import/export interface, which facilitates iterative refining of energy levels and gives a possibility of using directly exact vibration-rotation energies. Program is available in tree versions: for symmetric top, asymmetric top and molecules with large amplitude motions. The program is designed for the Windows operating systems and is available with full documentation on www.lww.amu.edu.pl .

  16. GAMMA-RAY LIGHT CURVE AND PHASE-RESOLVED SPECTRA FROM GEMINGA PULSAR

    Institute of Scientific and Technical Information of China (English)

    ZHANG LI; BIAN XIA; MEI DONG-CHENG

    2001-01-01

    We calculate the light curve and phase-resolved spectra of Geminga in a three-dimensional pulsar magnetosphere model. The light curve of gamma-rays is consistent with that observed if the magnetic inclination and viewing angle are~50° and~86° respectively. We also model the phase-resolved spectra of the Geminga pulsar.

  17. Phase-Resolved Spectra of PSR B0525+21 and PSR B2020+28

    Indian Academy of Sciences (India)

    J. L. Chen; H. G. Wang; N. Wang

    2011-03-01

    Using the published data of multi-frequency time-aligned pulse profiles from Kuzmin et al. (1998), we calculate the phase-resolved spectra of PSRs B0525+21 and B2020+28. The results reveal that conaldouble pulsars have common `M’-shaped phase-resolved spectra.

  18. Rotational Spectra of Hydrogen Bonded Networks of Amino Alcohols

    Science.gov (United States)

    Zhang, Di; Zwier, Timothy S.

    2014-06-01

    The rotational spectra of several different amino alcohols including D/L-allo-threoninol, 2-amino-1,3-propanediol and 1,3-diamino-2-propanol over the 6.5-18.5 GHz range have been investigated under jet-cooled conditions using chirped-pulsed Fourier transform microwave spectroscopy. Despite the small size of these molecules, a great variety of conformations have been observed in the molecular expansion. While the NH2 group is typically thought of as a H-bond acceptor, it often acts both as acceptor and donor in forming H-bonded networks. With three adjacent H-bonding substituents (a combination of OH and NH2 groups), many different hydrogen bonding patterns are possible, including H-bonded chains and H-bonded cycles. Since many of these structures differ primarily by the relative orientation of the H-atoms, the analysis of these rotational spectra are challenging. Only through an exhaustive conformational search and the comparison with the experimental rotational constants, nuclear quadrupolar splittings, and line strengths are we able to understand the complex nature of these interactions. The ways in which the presence and number of NH2 groups affects the relative energies, and distorts the structures will be explored.

  19. Rotational spectra of HCCCN in some excited vibrational states

    Science.gov (United States)

    Yamada, Koichi M. T.; Creswell, R. A.

    1986-04-01

    The rotational spectra have been measured up to 220 GHz for HCCCN in excited vibrational states up to about 1000 cm -1; the states of ( v4, v5, v6, v7) = (0, 0, 0, 1), (0, 0, 0, 2), (0, 0, 0, 3), (0, 0, 0, 4), (0, 0, 1, 0), (0, 0, 1, 1), (0, 0, 1, 2), (0, 0, 2, 0), (0, 1, 0, 0), (0, 1, 0, 1), (1, 0, 0, 0), and (1, 0, 0, 1). Accurate molecular constants have been determined using an effective Hamiltonian newly proposed by K. M. T. Yamada, F. W. Birss, and M. R. Aliev ( J. Mol. Spectrosc.112, 347-356 (1985). By analyzing the anharmonic resonances, the unperturbed rotational constants for the v4 = 1 and for the v5 = 1 states were obtained as 4537.958(15) and 4550.6218(35) MHz, respectively.

  20. Spatially resolved eastward winds and rotation of HD$\\,$189733b

    CERN Document Server

    Louden, Tom

    2015-01-01

    We measure wind velocities on opposite sides of the hot Jupiter HD$\\,$189733b by modeling sodium absorption in high-resolution HARPS transmission spectra. Our model implicitly accounts for the Rossiter-McLaughlin effect, which we show can explain the high wind velocities suggested by previous studies. Our results reveal a strong eastward motion of the atmosphere of HD$\\,$189733b, with a redshift of $2.3^{+1.3}_{-1.5}\\,$km$\\,$s$^{-1}$ on the leading limb of the planet and a blueshift of $5.3^{+1.0}_{-1.4}\\,$km$\\,$s$^{-1}$ on the trailing limb. These velocities can be understood as a combination of tidally locked planetary rotation and an eastward equatorial jet; closely matching the predictions of atmospheric circulation models. Our results show that the sodium absorption of HD$\\,$189733b is intrinsically velocity broadened and so previous studies of the average transmission spectrum are likely to have overestimated the role of pressure broadening.

  1. Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra

    Science.gov (United States)

    Ruckenbauer, Matthias; Mai, Sebastian; Marquetand, Philipp; González, Leticia

    2016-10-01

    Time-resolved photoelectron spectroscopy is commonly employed with the intention to monitor electronic excited-state dynamics occurring in a neutral molecule. With the help of theory, we show that when excited-state processes occur on similar time scales the different relaxation pathways are completely obscured in the total photoionization signal recorded in the experiment. Using non-adiabatic molecular dynamics and Dyson norms, we calculate the photoionization signal of cytosine and disentangle the transient contributions originating from the different deactivation pathways of its tautomers. In the simulations, the total signal from the relevant keto and enol tautomers can be decomposed into contributions either from the neutral electronic state populations or from the distinct mechanistic pathways across the multiple potential surfaces. The lifetimes corresponding to these contributions cannot be extracted from the experiment, thereby illustrating that new experimental setups are necessary to unravel the intricate non-adiabatic pathways occurring in polyatomic molecules after irradiation by light.

  2. Spatially-resolved spectra of the accretion disc of the novalike UU Aquarii

    CERN Document Server

    Baptista, R; Steiner, J E; Horne, K; Baptista, Raymundo; Horne, Keith

    2000-01-01

    Time-resolved spectroscopy of the novalike variable UU Aquarii is analyzedwith eclipse mapping techniques to produce spatially resolved spectra of itsaccretion disc and gas stream as a function of distance from disc centre in therange 3600-6900 \\AA. The spatially-resolved spectra show that the continuumemission becomes progressively fainter and redder for increasing disc radius --reflecting the radial temperature gradient -- and reveal that the HI and HeIlines appear as deep, narrow absorption features in the inner disc regionstransitioning to emission with P Cygni profiles for intermediate and large discradii. The spectrum of the uneclipsed component has strong HI and HeI emissionlines plus a Balmer jump in emission and is explained as optically thinemission from a vertically extended disc chromosphere + wind. Most of the lineemission probably arises from the wind. The spatially-resolved spectra alsosuggest the existence of gas stream ``disk-skimming'' overflow in UU Aqr, whichcan be seen down to R \\simeq 0....

  3. Rotational state resolved photodissociation spectroscopy of translationally and vibrationally cold MgH+ ions: toward rotational cooling of molecular ions

    DEFF Research Database (Denmark)

    Højbjerre, Klaus; Hansen, Anders Kragh; Skyt, Peter Sandegaard

    2009-01-01

    and vibrationally cold MgH+ ions are presented, with and without the optical pumping laser being present. While rotational cooling is as yet not evident, first results showed evidence of a change in the rotational distribution in the presence of the optical pumping laser.......The first steps toward the implementation of a simple scheme for rotational cooling of MgH+ ions based on rotational state optical pumping is considered. The various aspects of such an experiment are described in detail, and the rotational state-selective dissociation spectra of translationally...

  4. Rotationally resolved spectroscopy of the dwarf planet (136472) Makemake

    Science.gov (United States)

    Lorenzi, V.; Pinilla-Alonso, N.; Licandro, J.

    2014-07-01

    existence of two different surfaces, with associated albedos between 0.07 and 0.84. This was recently reinforced by the observation of an occultation of a star by Makemake that hints at the presence of a transient atmosphere. Volatile transport would be supported by surface heterogeneity (Ortiz et al. 2012). If this is the case, the abundance of super volatiles (N_2 and CO) versus CH_4 on the surface of Makemake should be different from that on the surfaces of Eris and Pluto. Furthermore, these ices would be distributed heterogeneously over the surface of the dwarf planet. In this work, we present new visible spectra of Makemake (0.35-0.54 μ m and 0.7-1.0 μ m) obtained with the medium-resolution spectrograph ISIS at the WHT telescope, La Palma, Spain. The observations were carried out over a 5.4-h time interval, covering ˜70 % of the rotational period (7.7 h; Thirouin et al. 2010). These data were combined in three averaged spectra. For these three spectra, we study the center of the bands of methane ice, their depth and the slope of the overall continuum, which is indicative of non-ice component such as complex organic materials. Here we present the results of this analysis. It shows that the centers of the bands are shifted with respect to the theoretical positions calculated in the laboratory, indicating that the CH_4 is in solid solution with another volatile. We also discuss if these shifts are different for the three different phases, which would be indicative of surface heterogeneity. We will also show the results of extending the same analysis in a systematic way to other spectra collected from the literature to search for secular variation.

  5. Resolving nanophotonic spectra with quasi-normal modes (Conference Presentation)

    Science.gov (United States)

    Powell, David A.

    2016-09-01

    Many nanophotonic systems are strongly coupled to radiating waves, or suffer significant dissipative losses. Furthermore, they may have complex shapes which are not amenable to closed form calculations. This makes it challenging to determine their modes without resorting to quasi-static or point dipole approximations. To solve this problem, the quasi-normal modes (QNMs) are found from an integral equation model of the particle. These give complex frequencies where excitation can be supported without any incident field. The corresponding eigenvectors yield the modal distributions, which are non-orthogonal due to the non-Hermitian nature of the system. The model based on quasi-normal modes is applied to plasmonic and dielectric particles, and compared with a spherical multipole decomposition. Only with the QNMs is it possible to resolve all features of the extinction spectrum, as each peak in the spectrum can be attributed to a particular mode. In contrast, many of the multipole coefficient have multiple peaks and dips. Furthermore, by performing a multipolar decomposition of each QNM, the spectrum of multipole coefficients is explained in terms of destructive interference between modes of the same multipole order.

  6. PHASE-RESOLVED X-RAY SPECTRA OF MAGNETARS AND THE CORONAL OUTFLOW MODEL

    Energy Technology Data Exchange (ETDEWEB)

    Hascoët, Romain; Beloborodov, Andrei M. [Physics Department and Columbia Astrophysics Laboratory, Columbia University, 538 West 120th Street, New York, NY 10027 (United States); Den Hartog, Peter R., E-mail: hascoet@astro.columbia.edu [Stanford University HEPL/KIPAC, 452 Lomita Mall, Stanford, CA 94305-4085 (United States)

    2014-05-01

    We test a model recently proposed for the persistent hard X-ray emission from magnetars. In the model, hard X-rays are produced by a decelerating electron-positron flow in the closed magnetosphere. The flow decelerates as it radiates its energy away via resonant scattering of soft X-rays, then it reaches the top of the magnetic loop and annihilates there. We test the model against observations of three magnetars: 4U 0142+61, 1RXS J1708-4009, and 1E 1841-045. We find that the model successfully fits the observed phase-resolved spectra. We derive constraints on the angle between the rotational and magnetic axes of the neutron star, the object inclination to the line of sight, and the size of the active twisted region filled with the plasma flow. Using the fit of the hard X-ray component of the magnetar spectrum, we revisit the remaining soft X-ray component. We find that it can be explained by a modified two-temperature blackbody model. The hotter blackbody is consistent with a hot spot covering 1%-10% of the neutron star surface. Such a hot spot is expected at the base of the magnetospheric e {sup ±} outflow, as some particles created in the e {sup ±} discharge flow back and bombard the stellar surface.

  7. Phase-resolved X-ray spectra of magnetars and the coronal outflow model

    CERN Document Server

    Hascoet, R; Hartog, P R den

    2014-01-01

    We test a model recently proposed for the persistent hard X-ray emission from magnetars. In the model, hard X-rays are produced by a decelerating electron-positron flow in the closed magnetosphere. The flow decelerates as it radiates its energy away via resonant scattering of soft X-rays, then it reaches the top of the magnetic loop and annihilates there. We test the model against observations of three magnetars: 4U 0142+61, 1RXS J1708-4009, and 1E 1841-045. We find that the model successfully fits the observed phase-resolved spectra. We derive constraints on the angle between the rotational and magnetic axes of the neutron star, the object inclination to the line of sight, and the size of the active twisted region filled with the plasma flow. Using the fit of the hard X-ray component of the magnetar spectrum, we revisit the remaining soft X-ray component. We find that it can be explained by a modified two-temperature blackbody model. The hotter blackbody is consistent with a hot spot covering 1-10% of the ne...

  8. First-principles approach to excitons in time-resolved and angle-resolved photoemission spectra

    Science.gov (United States)

    Perfetto, E.; Sangalli, D.; Marini, A.; Stefanucci, G.

    2016-12-01

    In this work we put forward a first-principles approach and propose an accurate diagrammatic approximation to calculate the time-resolved (TR) and angle-resolved photoemission spectrum of systems with excitons. We also derive an alternative formula to the TR photocurrent which involves a single time-integral of the lesser Green's function. The diagrammatic approximation applies to the relaxed regime characterized by the presence of quasistationary excitons and vanishing polarization. The nonequilibrium self-energy diagrams are evaluated using excited Green's functions; since this is not standard, the analytic derivation is presented in detail. The final result is an expression for the lesser Green's function in terms of quantities that can all be calculated in a first-principles manner. The validity of the proposed theory is illustrated in a one-dimensional model system with a direct gap. We discuss possible scenarios and highlight some universal features of the exciton peaks. Our results indicate that the exciton dispersion can be observed in TR and angle-resolved photoemission.

  9. Extracting Time-Resolved Information from Time-Integrated Laser-Induced Breakdown Spectra

    Directory of Open Access Journals (Sweden)

    Emanuela Grifoni

    2014-01-01

    Full Text Available Laser-induced breakdown spectroscopy (LIBS data are characterized by a strong dependence on the acquisition time after the onset of the laser plasma. However, time-resolved broadband spectrometers are expensive and often not suitable for being used in portable LIBS instruments. In this paper we will show how the analysis of a series of LIBS spectra, taken at different delays after the laser pulse, allows the recovery of time-resolved spectral information. The comparison of such spectra is presented for the analysis of an aluminium alloy. The plasma parameters (electron temperature and number density are evaluated, starting from the time-integrated and time-resolved spectra, respectively. The results are compared and discussed.

  10. Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

    Energy Technology Data Exchange (ETDEWEB)

    Pirali, O.; Gruet, S. [AILES Beamline, Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette cedex (France); Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex (France); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Goubet, M. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille 1, Bâtiment P5, F-59655 Villeneuve d’Ascq Cedex (France); Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G. [Laboratoire de Physico-Chimie de l’Atmosphère, EA-4493, Université du Littoral – Côte d’Opale, 59140 Dunkerque (France)

    2015-03-14

    Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

  11. Lie algebraic description of the rotational spectra of linear triatomic molecules: application to CS 2

    Science.gov (United States)

    Meng, Qingtian; Guan, Daren; Ding, Shiliang

    2001-04-01

    An algebraic construction of a Hamiltonian is used to study the rotational spectra of linear triatomic molecules on the basis of the subgroup chain of symmetry U1(4)⊗ U2(4). After considering the rotation-vibration interaction which gives the l splittings, the eigenvalue expression of the Hamiltonian has a form of the term value equation commonly used in the calculation of molecular spectra. The method is applied to calculate the rotational energy levels of vibrational transitions (0 1 10-0 0 00) for C 34S 2, (1 1 13-0 1 10) and (1 0 03-0 0 00) for C 32S 2. The obtained rotational constants can represent the rotational spectra of the three bands with small root-mean-square frequency errors. The results show that the algebraic Hamiltonian can provide an alternative description of rovibrational spectra for linear triatomic molecules.

  12. Calibrating stellar velocity dispersions based on spatially-resolved h-band spectra for improving the m-sigma relation

    CERN Document Server

    Kang, Wol-Rang; Schulze, Andreas; Riechers, Dominik A; Kim, Sang Chul; Park, Daeseong; Smolcic, Vernesa

    2013-01-01

    To calibrate stellar velocity dispersion measurements from optical and near-IR stellar lines, and to improve the black hole mass (MBH)- stellar velocity dispersion (sigma) relation, we measure stellar velocity dispersions based on high quality H-band spectra for a sample of 31 nearby galaxies, for which dynamical MBH is available in the literature. By comparing velocity dispersions measured from stellar lines in the H-band with those measured from optical stellar lines, we find no significant difference, suggesting that optical and near-IR stellar lines represent the same kinematics and that dust effect is negligible for early-type galaxies. Based on the spatially-resolved rotation and velocity dispersion measurements along the major axis of each galaxy, we find that a rotating stellar disk is present for 80% of galaxies in the sample. For galaxies with a rotation component, velocity dispersions measured from a single aperture spectrum can vary by up to ~20%, depending on the size of the adopted extraction ap...

  13. The torsional and rotation-torsion spectra of CD2HOH

    Science.gov (United States)

    Ndao, M.; Kwabia Tchana, F.; Coudert, L. H.; Motiyenko, R. A.; Margulès, L.; Barros, J.; Manceron, L.; Roy, P.

    2016-08-01

    The torsional and rotation-torsion spectra of the doubly deuterated species of methanol CD2HOH have been analyzed using submillimeter wave, terahertz, and far infrared spectra. 101 torsional subbands, with subband centers ranging from 2.3 to 626 cm-1, were assigned. Analysis of these yielded kinetic energy and hindering potential parameters of the torsional Hamiltonian describing the large amplitude internal rotation of the CD2H methyl group with respect to the hydroxyl group. 3271 rotation and rotation-torsion transitions, involving the 24 torsional levels up to e1 with 3 ⩽ K ⩽ 10 , were assigned and fitted approximating the rotational energy of each torsional level with a Taylor-type expansion in J (J + 1) . The rotational structure of 48 torsional subbands involving torsional levels higher than e1 has also been analyzed. In most cases, only the Q branch could be observed and assigned.

  14. Hemoglobin concentration determination based on near infrared spatially resolved transmission spectra

    Science.gov (United States)

    Zhang, Linna; Li, Gang; Lin, Ling

    2016-10-01

    Spatially resolved diffuse reflectance spectroscopy method has been proved to be more effective than single point spectroscopy method in the experiment to predict the concentration of the Intralipid diluted solutions. However, Intralipid diluted solution is simple, cannot be the representative of turbid liquids. Blood is a natural and meaningful turbid liquid, more complicate. Hemoglobin is the major constituent of the whole blood. And hemoglobin concentration is commonly used in clinical medicine to diagnose many diseases. In this paper, near infrared spatially resolved transmission spectra (NIRSRTS) and Partial Least Square Regression (PLSR) were used to predict the hemoglobin concentration of human blood. The results showed the prediction ability for hemoglobin concentration of the proposed method is better than single point transmission spectroscopy method. This paper demonstrated the feasibility of the spatially resolved diffuse reflectance spectroscopy method for practical liquid composition analysis. This research provided a new thinking of practical turbid liquid composition analysis.

  15. On the symmetrization of rotational spectra for freely rotating linear molecules

    Science.gov (United States)

    Borysow, Aleksandra; Moraldi, Massimo

    It is demonstrated that the symmetrization of a quantum mechanical rotational spectrum of freely rotating linear molecules by means of the Egelstaff transformation produces a symmetric spectrum whose first two even moments coincide with the corresponding classical moments.

  16. Application of normalized spectra in resolving a challenging Orphenadrine and Paracetamol binary mixture

    Science.gov (United States)

    Yehia, Ali M.; Abd El-Rahman, Mohamed K.

    2015-03-01

    Normalized spectra have a great power in resolving spectral overlap of challenging Orphenadrine (ORP) and Paracetamol (PAR) binary mixture, four smart techniques utilizing the normalized spectra were used in this work, namely, amplitude modulation (AM), simultaneous area ratio subtraction (SARS), simultaneous derivative spectrophotometry (S1DD) and ratio H-point standard addition method (RHPSAM). In AM, peak amplitude at 221.6 nm of the division spectra was measured for both ORP and PAR determination, while in SARS, concentration of ORP was determined using the area under the curve from 215 nm to 222 nm of the regenerated ORP zero order absorption spectra, in S1DD, concentration of ORP was determined using the peak amplitude at 224 nm of the first derivative ratio spectra. PAR concentration was determined directly at 288 nm in the division spectra obtained during the manipulation steps in the previous three methods. The last RHPSAM is a dual wavelength method in which two calibrations were plotted at 216 nm and 226 nm. RH point is the intersection of the two calibration lines, where ORP and PAR concentrations were directly determined from coordinates of RH point. The proposed methods were applied successfully for the determination of ORP and PAR in their dosage form.

  17. The Rotational Spectra of Perfluoropropionic Acid and its Hydrates

    Science.gov (United States)

    Lin, Wei; Serrato, Agapito Serrato, Iii; Obenchain, Daniel A.; Grubbs, G. S. Grubbs, Ii; Novick, Stewart E.; Cooke, S. A.

    2012-06-01

    The pure rotational spectrum of perfluoropropionic acid, CF3CF2COOH, has been studied using a chirped pulse Fourier transform microwave spectrometer in the frequency range of 8-14 GHz. A total of 81 transitions, including {a}-type, {b}-type, and {c}-type transitions have been observed and analyzed. The rotational constants and the five quartic centrifugal distortion constants have been determined for the first time. Quantum chemical calculations and the spectral analysis indicate that the observed conformer is the {gauche} form of perfluoropropionic acid with calculated dihedral angles rotational spectrum of the perfluoropropionic acid monohydrate has been assigned from the broadband spectrum. Most of the transitions exhibit doubling patterns belonging to the tunneling motion of the water molecule. Progress on the assignment of the perfluoropropionic acid dihydrate will also be presented.

  18. Comparative Centrifugal Distortion Analysis in Rotational Spectra of Propanol and Isopropanol Molecules

    Science.gov (United States)

    Qajar, Ch. O.; Kazimova, S. B.

    2015-07-01

    We have compared the effect of centrifugal distortion on the rotational spectra of isopropanol and propanol molecules in the microwave frequency range. We identified 61 rotational transitions of the propanol molecule with rotational quantum numbers up to J = 36 inclusive. We show that in order to satisfactorily take into account centrifugal distortion in the isopropanol molecule, it is sufficient to use only the quartic and sextic terms, while in calculating the rotational transitions of the propanol molecule we need to include all the way up to dectic centrifugal distortion constants.

  19. Spatially-Resolved Spectra of the "Teacup" AGN: Tracing the History of a Dying Quasar

    CERN Document Server

    Gagne, J P; Kraemer, S B; Schmitt, H R; Keel, W C; Rafter, S; Fischer, T C; Bennert, V N; Schawinski, K

    2014-01-01

    The Sloan Digital Sky Survey (SDSS) Galaxy Zoo project has revealed a number of spectacular galaxies possessing Extended Emission-Line Regions (EELRs), the most famous being Hanny's Voorwerp galaxy. We present another EELR object discovered in the SDSS endeavor: the Teacup Active Galactic Nucleus (AGN), nicknamed for its EELR, which has a handle like structure protruding 15 kpc into the northeast quadrant of the galaxy. We analyze physical conditions of this galaxy with long-slit ground based spectroscopy from Lowell, Lick, and KPNO observatories. With the Lowell 1.8m Perkin's telescope we took multiple observations at different offset positions, allowing us to recover spatially resolved spectra across the galaxy. Line diagnostics indicate the ionized gas is photoionized primarily by the AGN. Additionally we are able to derive the hydrogen density from the [S II] 6716/6731 ratio. We generated two-component photoionization models for each spatially resolved Lowell spectrum. These models allow us to calculate t...

  20. Time-resolved rotational spectroscopy of para-difluorobenzene·Ar

    Science.gov (United States)

    Weichert, A.; Riehn, C.; Matylitsky, V. V.; Jarzeba, W.; Brutschy, B.

    2002-07-01

    We report on time-resolved rotational spectroscopy experiments of the cluster para-difluorobenzene·Ar ( pDFB·Ar) by picosecond laser pulses in a supersonic expansion. Rotational coherences of pDFB·Ar are generated by resonant electronic excitation and probed by time-resolved fluorescence depletion spectroscopy and time-resolved photoionization ((1+1') PPI) spectroscopy. The former allows the determination of both ground and excited state rotational constants, whereas the latter technique enables the separate study of the excited state with the benefit of mass-selective detection. Since pDFB·Ar represents a near symmetric oblate rotor, persistent J-type transients with tJ≈ n/2( A+ B) could be measured. From their analysis, (A″+B″)=2234.9±2 MHz and (A'+B')=2237.9±2 MHz were obtained. A structural investigation, based on data of the pDFB monomer, is presented resulting in a pDFB·Ar center-of-mass distance of both moieties of R z=3.543±0.017 Å with a change of ΔR z=-0.057±0.009 Å upon electronic excitation. These results are compared to data of former frequency-resolved experiments and ab initio computations.

  1. Cervical cancer detection by time-resolved spectra of blood components

    Science.gov (United States)

    Kalaivani, Rudran; Masilamani, Vadivel; AlSalhi, Mohamad Saleh; Devanesan, Sandhanasamy; Ramamurthy, P.; Palled, Siddanna R.; Ganesh, K. M.

    2014-05-01

    Fluorescence spectral techniques are very sensitive, and hence they are gaining importance in cancer detection. The biomarkers indicative of cancer could be identified and quantified by spectral or time domain fluorescence spectroscopy. The results of an investigation of time-resolved spectra of cellular components of blood obtained from cervical cancer patients and normal controls are given. The cancer indicative biomarker in this paper is porphyrin; it has a fluorescence decay time of 60% more in samples of cancer patients than those of normal controls. Based on such measurements, a randomized set comprising samples from cancer patients and controls (N=27 in total) could be classified with sensitivity (92%) and specificity (86%).

  2. Time-Resolved Measurement of Radiatively Heated Iron 2p-3d Transmission Spectra

    Institute of Scientific and Technical Information of China (English)

    ZHAO Yang; SHANG Wan-Li; XIONG Gang; JIN Feng-Tao; HU Zhi-Min; WEI Min-Xi; YANG Guo-Hong; ZHANG Ji-Yan; YANG Jia-Min

    2010-01-01

    @@ An experimental measurement of radiatively heated iron plasma transmission spectra was performed on Shenguang Ⅱ laser facility.In the measurement,the self-emission spectrum,the backlighting spectrum,and the absorption spectrum were imaged with a fiat filed grating and recorded on a gated micro channel plate detector to obtain the time-resolved transmission spectra in the range 10-20 A (approximately 0.6-1.3 keV).Experimental results are compared with the calculation results of an unsolved transition array (UTA) code.The time-dependent relative shift in the positions of the 2p-3d transmission array is interpreted in terms of the plasma temperature variations.

  3. Structural and time resolved emission spectra of Er 3+: Silver lead borate glass

    Science.gov (United States)

    Coelho, João; Hungerford, Graham; Hussain, N. Sooraj

    2011-08-01

    The structural properties of Er 3+: silver lead borate glass is assessed by means of SEM, X-ray mapping, EDS and Raman analysis. In order to verify the time dependency of emission spectra, steady-state luminescence spectroscopy (SSLS) and time-resolved emission spectroscopy (TRES) studies have been performed. The stimulated emission cross-sections for the NIR emission transition 4I 13/2 → 4I 15/2 (1535 nm) at 970 nm excitation are reported. The decay times were obtained by fitting one ( τm = 0.301 ms) and two ( τm1 = 0.141 ms, τm2 = 0.368 ms) distributions for the NIR transition. Furthermore, by making use of TRES measurements the decay associated spectra were obtained allowing the time dependency for the different emission bands to be elucidated.

  4. a Minty Microwave Menagerie: the Rotational Spectra of Menthone, Menthol, Carvacrol, and Thymol

    Science.gov (United States)

    Schmitz, David; Shubert, V. Alvin; Betz, Thomas; Giuliano, Barbara Michela; Schnell, Melanie

    2015-06-01

    Terpenes represent one of the largest classes of secondary metabolites in nature and are derived from adding substituents to their core building block, isoprene. They exhibit a huge assortment of structures and thus a variety of chemical and biological activities. We recently investigated a number of monoterpenoids using broadband rotational spectroscopy in the 2-8.5 GHz frequency range. We present a comparative study of the aromatic monoterpenoids thymol and carvacrol and aliphatic menthone and menthol. The differences in their electronic and steric structures significantly influence molecular properties such as internal rotation barriers and conformational flexibility. These influences are revealed in the rotational spectra. We report the rotational spectra and the experimentally determined molecular parameters. Results from extensive quantum chemical calculations of the conformational spaces of these molecules are compared with the experimentally determined molecular parameters.

  5. Spatially and momentum resolved energy electron loss spectra from an ultra-thin PrNiO{sub 3} layer

    Energy Technology Data Exchange (ETDEWEB)

    Kinyanjui, M. K., E-mail: michael.kinyanjui@uni-ulm.de; Kaiser, U. [Central Facility of Electron Microscopy, University of Ulm, Albert-Einstein Allee 11, 89081 Ulm (Germany); Benner, G.; Pavia, G. [Carl Zeiss Microscopy GmbH, Carl-Zeiss-Str. 22, 73447 Oberkochen (Germany); Boucher, F. [Institut des Matériaux Jean Rouxel, UMR6502, CNRS - Université de Nantes, 2 rue de la Houssinière, B.P.32229, 44322 Nantes Cedex (France); Habermeier, H.-U.; Keimer, B. [Max Planck Institute for Solid State Research, Heisenbergstrasse 1, D-70579 Stuttgart (Germany)

    2015-05-18

    We present an experimental approach which allows for the acquisition of spectra from ultra-thin films at high spatial, momentum, and energy resolutions. Spatially and momentum (q) resolved electron energy loss spectra have been obtained from a 12 nm ultra-thin PrNiO{sub 3} layer using a nano-beam electron diffraction based approach which enabled the acquisition of momentum resolved spectra from individual, differently oriented nano-domains and at different positions of the PrNiO{sub 3} thin layer. The spatial and wavelength dependence of the spectral excitations are obtained and characterized after the analysis of the experimental spectra using calculated dielectric and energy loss functions. The presented approach makes a contribution towards obtaining momentum-resolved spectra from nanostructures, thin film, heterostructures, surfaces, and interfaces.

  6. Is the Separable Propagator Perturbation Approach Accurate in Calculating Angle Resolved Photoelectron Diffraction Spectra?

    Science.gov (United States)

    Ng, C. N.; Chu, T. P.; Wu, Huasheng; Tong, S. Y.; Huang, Hong

    1997-03-01

    We compare multiple scattering results of angle-resolved photoelectron diffraction spectra between the exact slab method and the separable propagator perturbation method. In the slab method,footnote C.H. Li, A.R. Lubinsky and S.Y. Tong, Phys. Rev. B17, 3128 (1978). the source wave and multiple scattering within the strong scattering atomic layers are expanded in spherical waves while interlayer scattering is expressed in plane waves. The transformation between spherical waves and plane waves is done exactly. The plane waves are then matched across the solid-vacuum interface to a single outgoing plane wave in the detector's direction. The separable propagator perturbation approach uses two approximations: (i) A separable representation of the Green's function propagator and (ii) A perturbation expansion of multiple scattering terms. Results of c(2x2) S-Ni(001) show that this approximate method fails to converge due to the very slow convergence of the separable representation for scattering angles less than 90^circ. However, this method is accurate in the backscattering regime and may be applied to XAFS calculations.(J.J. Rehr and R.C. Albers, Phys. Rev. B41, 8139 (1990).) The use of this method for angle-resolved photoelectron diffraction spectra is substantially less reliable.

  7. Detection of radionuclides from weak and poorly resolved spectra using Lasso and subsampling techniques

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Er-Wei, E-mail: er-wei-bai@uiowa.edu [Department of Electrical and Computer Engineering, University of Iowa, Iowa City, IA 52242 (United States); Chan, Kung-sik, E-mail: kung-sik-chan@uiowa.edu [Department of Statistical and Actuarial Science, University of Iowa, Iowa City, IA 52242 (United States); Eichinger, William, E-mail: william-eichinger@uiowa.edu [Department of Civil and Environmental Engineering, University of Iowa, Iowa City, IA 52242 (United States); Kump, Paul [Department of Electrical and Computer Engineering, University of Iowa, Iowa City, IA 52242 (United States)

    2011-10-15

    We consider a problem of identification of nuclides from weak and poorly resolved spectra. A two stage algorithm is proposed and tested based on the principle of majority voting. The idea is to model gamma-ray counts as Poisson processes. Then, the average part is taken to be the model and the difference between the observed gamma-ray counts and the average is considered as random noise. In the linear part, the unknown coefficients correspond to if isotopes of interest are present or absent. Lasso types of algorithms are applied to find non-vanishing coefficients. Since Lasso or any prediction error based algorithm is inconsistent with variable selection for finite data length, an estimate of parameter distribution based on subsampling techniques is added in addition to Lasso. Simulation examples are provided in which the traditional peak detection algorithms fail to work and the proposed two stage algorithm performs well in terms of both the False Negative and False Positive errors. - Highlights: > Identification of nuclides from weak and poorly resolved spectra. > An algorithm is proposed and tested based on the principle of majority voting. > Lasso types of algorithms are applied to find non-vanishing coefficients. > An estimate of parameter distribution based on sub-sampling techniques is included. > Simulations compare the results of the proposed method with those of peak detection.

  8. Radio Phase-Resolved Spectra of the Conal-Double Pulsar B1133+16

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Based on dividing the profile into a number of absolute phase intervals, the phase-resolved spectra (PHRS) are derived from published time-aligned average profiles at radio frequencies over two decades for the classic conal-double pulsar B1133+16. The relative spectral index, defined as the difference between the spectral indices of a reference and the given arbitrary phase interval, is obtained by power-law fit at each phase interval. The derived phase-resolved spectra show an "M-like" shape, of which the leading part and trailing part are approximately symmetrical. The basic feature of the PHRS is that the spectrum first flattens then steepens as the pulse phase sweeps from the profile center to the profile edges. The PHRS provide a coherent explanation of the major features of profile evolution of B1133+16, namely, the pulse width shrinkage with increasing frequency and the frequency evolution of the relative intensity between the leading and trailing conal components, and the bridge emission. The PHRS may be an indicator for emission spectral variation across the pulsar magnetosphere. Possible mapping from PHRS to emission-location-dependent spectral variation is presented, and some intrinsic mechanisms are discussed.

  9. Application of Lie algebraic method to the calculation of rotational spectra for linear triatomic molecules

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The Hamiltonian describing rotational spectra of linear triatomic molecules has been derived by using the dynamical Lie algebra of symmetry group U1(4)U,(4). After rovibrational interactions being considered, the eigenvalue expression of the Hamiltonian has the form of term value equation commonly used in spectrum analysis. The molecular rotational constants can be obtained by using the expression and fitting it to the observed lines. As an example, the rotational levels of v2 band for transition (0200-0110) of molecules N2O and HCN have been fitted and the fitting root-mean-square errors (RMS) are 0.00001 and 0.0014 cm-1, respectively.

  10. Manifestation of Berry's phase in nuclear quadrupole resonance spectra of rotating powder samples

    Energy Technology Data Exchange (ETDEWEB)

    Sinyavsky, N. [Baltic State Academy, Kaliningrad (Russian Federation); Mackowiak, M. [Polish Academy of Sciences, Poznan (Poland). Inst. of Molecular Physics; Schmidt, C. [Paderborn Univ. (Germany). Dept. Chemie

    2008-01-15

    The effect of Berry's phase on the nuclear quadrupole resonance (NQR) spectra of rotating powder samples is studied experimentally, and its application for the determination of the electric field gradient asymmetry {eta} is demonstrated. The NQR frequency splittings, which are observed for the spin 3/2 nucleus of {sup 35}Cl in powder samples of p-dichlorobenzene (C{sub 6}H{sub 4}Cl{sub 2}) and cyanuric chloride (C{sub 3}N{sub 3}Cl{sub 3}), are interpreted as a manifestation of Berry's phase, associated with the adiabatically changing Hamiltonian due to sample rotation. The accumulation of Berry's phase during the rotation process is responsible for the observed dependence of the NQR line shape on the rotation frequency and the asymmetry parameter. The proposed method for the determination of {eta} involves the analysis of the NQR powder patterns of the rotating samples. (orig.)

  11. Fourier-resolved energy spectra of the Narrow Line Seyfert 1 Mkn 766

    CERN Document Server

    Arevalo, P; Markowitz, A; Papadakis, I E; Turner, T J; Miller, L; Reeves, J

    2008-01-01

    We compute Fourier-resolved X-ray spectra of the Seyfert 1 Markarian 766 to study the shape of the variable components contributing to the 0.3-10 keV energy spectrum and their time-scale dependence. The fractional variability spectra peak at 1-3 keV, as in other Seyfert 1 galaxies, consistent with either a constant contribution from a soft excess component below 1 keV and Compton reflection component above 2 keV, or variable warm absorption enhancing the variability in the 1-3 keV range. The rms spectra, which shows the shape of the variable components only, is well described by a single power law with an absorption feature around 0.7 keV, which gives it an apparent soft excess. This spectral shape can be produced by a power law varying in normalisation, affected by an approximately constant (within each orbit) warm absorber, with parameters similar to those found by Turner et al. for the warm-absorber layer covering all spectral components in their scattering scenario. The total soft excess in the average sp...

  12. 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)

  13. Vibrationally high-resolved electronic spectra of MCl2 (M = C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2-

    Science.gov (United States)

    Ran, Yibin; Pang, Min; Shen, Wei; Li, Ming; He, Rongxing

    2016-10-01

    We systematically studied the vibrational-resolved electronic spectra of group IV dichlorides using the Franck-Condon approximation combined with the Duschinsky and Herzberg-Teller effects in harmonic and anharmonic frameworks (only the simulation of absorption spectra includes the anharmonicity). Calculated results showed that the band shapes of simulated spectra are in accordance with those of the corresponding experimental or theoretical ones. We found that the symmetric bend mode in progression of absorption is the most active one, whereas the main contributor in photoelectron spectra is the symmetric stretching mode. Moreover, the Duschinsky and anharmonic effects exert weak influence on the absorption spectra, except for PbCl2 molecule. The theoretical insights presented in this work are significant in understanding the photophysical properties of MCl2 (M = C, Si, Ge, Sn, Pb) and studying the Herzberg-Teller and the anharmonic effects on the absorption spectra of new dichlorides of this main group.

  14. Rotationally resolved spectroscopy of (20000) Varuna in the near-infrared

    CERN Document Server

    Lorenzi, V; Licandro, J; Ore, C M Dalle; Emery, J P

    2014-01-01

    Models of the escape and retention of volatiles by minor icy objects exclude any presence of volatile ices on the surface of TNOs smaller than ~1000km in diameter at the typical temperature in this region of the solar system, whereas the same models show that water ice is stable on the surface of objects over a wide range of diameters. Collisions and cometary activity have been used to explain the process of surface refreshing of TNOs and Centaurs. These processes can produce surface heterogeneity that can be studied by collecting information at different rotational phases. The aims of this work are to study the surface composition of (20000)Varuna, a TNO with a diameter ~650km and to search for indications of rotational variability. We observed Varuna during two consecutive nights in January 2011 with NICS@TNG obtaining a set of spectra covering the whole rotation period of Varuna. After studying the spectra corresponding to different rotational phases, we did not find any indication of surface variability. ...

  15. Spectroscopy of the AlAr van der Waals complex: Rotationally resolved B 2Σ+←X 2Π1/2 electronic transitions

    Science.gov (United States)

    McQuaid, Michael J.; Gole, James L.; Heaven, Michael C.

    1990-03-01

    Rotationally resolved spectra were recorded for six bands of the AlAr B 2Σ+←X 2Π1/2 transition. Vibrational and rotational constants derived from these spectra were used to determine the upper and lower state potential energy curves. The accuracy of these potentials was assessed through calculations of the spectroscopic constants and Franck-Condon factors. Dissociation energies of D'e=440+35-8 cm-1 and D'e=180+40-10 cm-1 were obtained for the B and X states, respectively. The interaction between X 2Π1/2 and the low-lying A 2Σ+ state has been characterized by analysis of the ground-state lambda doublet splitting.

  16. New method for measuring time-resolved spectra of lanthanide emission using square-wave excitation

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Feng [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150080 (China); Zhao, Hua; Cai, Wei, E-mail: weicai@hit.edu.cn [School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Duan, Qianqian [College of Information Engineering, Taiyuan University of Technology, Taiyuan 030024 (China); Zhang, Zhiguo, E-mail: zhangzhiguo@hit.edu.cn [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150080 (China); Laboratory of Sono- and Photo-Theranostic Technologies, Harbin Institute of Technology, Harbin 150080 (China); Cao, Wenwu, E-mail: dzk@psu.edu [Condensed Matter Science and Technology Institute, Harbin Institute of Technology, Harbin 150080 (China); Laboratory of Sono- and Photo-Theranostic Technologies, Harbin Institute of Technology, Harbin 150080 (China); Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2013-11-15

    A method using modulated continuous wave (CW) visible laser to measure time-resolved fluorescence spectra of trivalent rare-earth ions has been developed. Electro-optic modulator was used to modulate the CW pumping laser with a rise time of 2 μs. CW Nd{sup 3+} lasers were used as examples to present the method. Upconversion dynamic process of Ho{sup 3+} was studied utilizing a 532 nm CW laser. Quantum cutting dynamic process from Tb{sup 3+} to Yb{sup 3+} was analyzed by a 473 nm CW laser. This method can be applied to any CW laser such as He-Ne laser, Ar{sup +} laser, Kr{sup +} laser, Ti:sapphire laser, etc.

  17. Imaging plasmonic fields near gold nanospheres in attosecond time-resolved streaked photoelectron spectra

    Science.gov (United States)

    Li, Jianxiong; Thumm, Uwe

    2016-05-01

    To study time-resolved photoemission from gold nanospheres, we introduce a quantum-mechanical approach, including the plasmonic near-field-enhancement of the streaking field at the surface of the nanosphere. We use Mie theory to calculate the plasmonically enhanced fields near 10 to 200 nm gold nanospheres, driven by incident near infrared (NIR) or visible laser pulses. We model the gold conduction band in terms of a spherical square well potential. Our simulated streaked photoelectron spectra reveal a plasmonic amplitude enhancement and phase shift related to calculations that exclude the induced plasmonic field. The phase shift is due to the plasma resonance. This suggests the use of streaked photoelectron spectroscopy for imaging the dielectric response and plasmonic field near nanoparticles. Supported by the NSD-EPSCoR program, NSF, and the USDoE.

  18. Spatially resolved spectroscopy across stellar surfaces. II. High-resolution spectra across HD 209458 (G0 V)

    Science.gov (United States)

    Dravins, Dainis; Ludwig, Hans-Günter; Dahlén, Erik; Pazira, Hiva

    2017-09-01

    Context. High-resolution spectroscopy across spatially resolved stellar surfaces aims at obtaining spectral-line profiles that are free from rotational broadening; the gradual changes of these profiles from disk center toward the stellar limb reveal properties of atmospheric fine structure, which are possible to model with 3D hydrodynamics. Aims: Previous such studies have only been carried out for the Sun but are now extended to other stars. In this work, profiles of photospheric spectral lines are retrieved across the disk of the planet-hosting star HD 209458 (G0 V). Methods: During exoplanet transit, stellar surface portions successively become hidden and differential spectroscopy provides spectra of small surface segments temporarily hidden behind the planet. The method was elaborated in Paper I, with observable signatures quantitatively predicted from hydrodynamic simulations. Results: From observations of HD 209458 with spectral resolution λ/ Δλ 80 000, photospheric Fe I line profiles are obtained at several center-to-limb positions, reaching adequately high S/N after averaging over numerous similar lines. Conclusions: Retrieved line profiles are compared to synthetic line profiles. Hydrodynamic 3D models predict, and current observations confirm, that photospheric absorption lines become broader and shallower toward the stellar limb, reflecting that horizontal velocities in stellar granulation are greater than vertical velocities. Additional types of 3D signatures will become observable with the highest resolution spectrometers at large telescopes.

  19. Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives

    Science.gov (United States)

    Song, Ce; Li, Li; Duan, Sai; Luo, Yi; Tian, Guangjun

    2017-08-01

    In the present work we systematically investigated the vibrationally-resolved absorption spectra of three core substituted naphthalenediimide cyclophane derivatives. It has been performed by time-dependent density functional theory calculations using three different exchange-correlation functionals, including the conventional B3LYP functional and two long-range corrected functionals: CAM-B3LYP and ωB97XD. The solvent effects were also considered with the polarizable continuum model. Calculation results showed that long range corrections are needed to correctly describe the optical properties of the three molecules because of the strong charge transfer characteristic of the excited states. The core substitution induced red shift to the first absorption band is nicely explained by the theoretical calculations. It is found that this band mainly involves the transitions within the core substituted naphthalenediimide chromophore. The high energy absorption band, on the other hand, is generated mainly from the un-substituted chromophore. These characters result in different substitution dependence for those two main absorption bands. Furthermore, the simulated vibrational profiles of the first two absorption bands nicely reproduce the observed vibrational features in the measured spectra. The accuracy of the calculated results from different functionals and basis sets has been discussed.

  20. Time-resolved Photoluminescence Spectra of Nominally Disordered GaInP Alloy

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Luminescence decay and time-resolved photoluminescence(TRPL) spectra are used for study on the transient luminescence process of the nominally disordered GaInP alloy. The luminescence decay of GaInP alloy shows the temperature and excitation-intensity dependent characters. At 77K and under high excitation intensity, the luminescence decay shows single exponential time dependence, while under low excitation intensity or at 300K, the luminescence decay shows double exponential time dependence. The analysis indicates that this nominally disordered GaInP alloy actually exhibits a very weak degree of order. The blue-shift of PL peak is observed in the TRPL spectra at 77K, which is derived from the transfer of the carriers from the ordered domain to the disordered region of the alloy. At 300K, due to the thermal quenching, the transfer is too weak to be observed. However, The recombination of the carriers between the ordered domain and the disordered region is still devoted to luminesce.

  1. Rotationally-Resolved Infrared Spectroscopy of the νb{16} Band of 1,3,5-TRIOXANE

    Science.gov (United States)

    Gibson, Bradley M.; Koeppen, Nicole; McCall, Benjamin J.

    2015-06-01

    1,3,5-trioxane is the simplest cyclic form of polyoxymethylene (POM), a class of formaldehyde polymers that has been proposed as the origin of distributed formaldehyde formation in comet comae and a potential source of formaldehyde in prebiotic chemistry. Although claimed POM detections have since been proven to be inconclusive, laboratory simulations of cometary conditions have yielded trioxane and other POMs While the microwave spectrum of 1,3,5-trioxane has been studied extensively, 4-7.}, to date only one rotationally-resolved ro-vibrational spectrum has been published. Here, we present our studies of the νb{16} band of gas-phase trioxane centered at 1177 wn. Trioxane was entrained in a supersonic expansion of argon and characterized by continuous-wave cavity ringdown spectroscopy using an etalon-stabilized external-cavity quantum cascade laser. Rotationally resolved spectra were obtained with less than 15 MHz resolution. Cottin, H., Bénilan, Y., Gazeau, M-C., and Raulin, F. Origin of Cometary Extended Sources from Degradation of Refractory Organics on Grains: Polyoxymethylene as Formaldehyde Parent Molecule. Icarus 167 (2004), 397-416. Oka, T., Tsuchiya, K., Iwata, S., and Morino, Y. Microwave Spectrum of s-Trioxane. Bull. Chem. Soc. Jpn. 37 (1964), 4-7. Henninot, J-F., Bolvin, H., Demaison, J., and Lemoine, B. The Infrared Spectrum of Trioxane in a Supersonic Slit Jet. J. Mol. Spect. 152 (1992), 62-68. Gibson, B.M. and McCall, B.J., contribution TJ08, presented at the 69th International Symposium on Molecular Spectroscopy, Urbana, IL, USA, 2014.

  2. Rotational spectra of N$_2^+$: An advanced undergraduate laboratory in atomic and molecular spectroscopy

    CERN Document Server

    Bayram, S B; Arndt, P T

    2015-01-01

    We describe an inexpensive instructional experiment that demonstrates the rotational energy levels of diatomic nitrogen, using the emission band spectrum of molecular nitrogen ionized by various processes in a commercial AC capillary discharge tube. The simple setup and analytical procedure is introduced as part of a sequence of educational experiments employed by a course of advanced atomic and molecular spectroscopy, where the study of rotational spectra is combined with the analysis of vibrational characteristics for a multifaceted picture of the quantum states of diatomic molecules.

  3. ALMA resolves turbulent, rotating [CII] emission in a young starburst galaxy at z=4.8

    CERN Document Server

    De Breuck, Carlos; Swinbank, Mark; Caselli, Paola; Coppin, Kristen; Davis, Timothy A; Maiolino, Roberto; Nagao, Tohru; Smail, Ian; Walter, Fabian; Weiss, Axel; Zwaan, Martin

    2014-01-01

    We present spatially resolved Atacama Large Millimeter/submillimeter Array (ALMA) [CII] observations of the z=4.7555 submillimetre galaxy, ALESS 73.1. Our 0.5" FWHM map resolves the [CII] emitting gas which is centred close to the active galactic nucleus (AGN). The gas kinematics are dominated by rotation but with high turbulence, v_rot/sigma_int~3.1, and a Toomre Q parameter ~0.4. The diameter of the dust continuum emission is 80 Gyr^{-1}, especially since there are no clear indications of recent merger activity. Finally, our high signal-to-noise [CII] measurement revises the observed [NII]/[CII] ratio, which suggests a close to solar metallicity, unless the [CII] flux contains significant contributions from HII regions. Our observations suggest that ALESS73.1 is a nascent galaxy undergoing its first major burst of star formation, embedded within an unstable but metal-rich gas disk.

  4. Rotationally Resolved Photoelectron Spectroscopic Study of the tilde{A}^+ State of H_2O^+

    Science.gov (United States)

    Lauzin, Clément; Gans, Berenger; Jacovella, Ugo; Merkt, Frederic

    2016-06-01

    This talk will present the analysis of the rotationally resolved pulsed-field-ionization zero-kinetic-energy (PFI-ZEKE) photoelectron spectrum of H_2O and will be focussed on the tilde{A}^+←tilde{X} transitions. H_2O^+ in the tilde{A}^+ state is predicted to be linear. The sensitivity and the high resolution of PFI- ZEKE photoelectron spectroscopy allowed us to observe the rotational structure of low bending vibrational levels of the tilde{A}^+ state of H_2O^+ from the tilde{X} ground electronic state of H_2O. The assignment of the rotational structure of ionic levels previously observed by optical spectroscopy of the tilde{A}^+ - tilde{X}^+ band system of H_2O^+ will be presented and the intensity distribution of the photoelectron spectrum will be discussed in terms of the even or odd nature of the orbital angular momentum quantum number l of the photoelectron. Tentative assignments will be presented for several low-lying vibrational levels of the tilde{A}^+ state and compared with theoretical predictions ^c. They will also be discussed in terms of the rotational structure of higher tilde{A}^+ vibrational levels of the same symmetry. M. Brommer, B. Weis, B. Follmeg, P. Rosmus, S. Carter, N. C. Handy, H. J. Werner, and P. J. Knowles, J. Chem. Phys. 98, 5222 (1993) H. Lew, Can. J. Phys. 54, 2028 (1976).

  5. Resolved Ultraviolet Reflectance Spectra of Mercury from the Third MESSENGER Flyby

    Science.gov (United States)

    Holsclaw, G. M.; McClintock, W. E.; Blewett, D. T.; Denevi, B. W.; Domingue, D. L.; Izenberg, N. R.; Jensen, E. A.; Robinson, M. S.; Solomon, S. C.; Sprague, A. L.; Vilas, F.

    2009-12-01

    Reflectance spectroscopy at ultraviolet wavelengths is a valuable remote sensing tool for studying the chemical makeup of planetary surfaces. The MESSENGER spacecraft instrument payload includes the Mercury Atmospheric and Surface Composition Spectrometer (MASCS), which contains the Ultraviolet and Visible Spectrometer (UVVS), capable of acquiring point-reflectance spectra from the far to near ultraviolet (115-350 nm). The first disk-integrated reflectance spectrum of Mercury at middle-ultraviolet wavelengths (220-300 nm) was obtained by MASCS-UVVS during the first flyby of the planet on 14 January 2008. A comparison of this spectrum with the reflectance of the Moon obtained with the same instrument showed that an inflection, interpreted as a volume absorption due to an electronic charge-transfer between oxygen and a transition-metal cation, was present in the Mercury data but absent in the lunar spectrum. Given the intense space weathering environment at Mercury, it was expected that such volume absorptions might be obscured by even small amounts of nanophase metallic iron within vapor-deposited coatings. During the second Mercury flyby on 6 October 2008, several spatially resolved middle-ultraviolet spectra were acquired. These spectra were found to have spectral characteristics similar to those of the disk-integrated spectrum. However, it was not possible to discern subtle spectral variations because of the spatial-spectral coupling of the data. The UVVS operates as a scanning-grating monochromator. Consequently, during acquisition of a spectrum (obtained one wavelength at a time) the instrument field of view is carried across the planet’s surface by spacecraft motion. Therefore, variations in albedo, composition, maturity, topography, and shadowing all contribute to structure in the spectrum. During MESSENGER’s third flyby of Mercury on 29 September 2009, a specialized observing strategy was implemented. From multispectral images obtained during the

  6. Direct asymmetry measurement of temperature and density spatial distributions in inertial confinement fusion plasmas from pinhole space-resolved spectra

    CERN Document Server

    Nagayama, T; Florido, R; Mayes, D; Tommasini, R; Koch, J A; Delettrez, J A; Regan, S P; Smalyuk, V A

    2014-01-01

    Two-dimensional space-resolved temperature and density images of an inertial confinement fusion (ICF) implosion core have been diagnosed for the first time. Argon-doped, direct-drive ICF experiments were performed at the Omega Laser Facility and a collection of two-dimensional space-resolved spectra were obtained from an array of gated, spectrally resolved pinhole images recorded by a multi-monochromatic x-ray imager. Detailed spectral analysis revealed asymmetries of the core not just in shape and size but in the temperature and density spatial distributions, thus characterizing the core with an unprecedented level of detail.

  7. Two Bathointermediates of the Bacteriorhodopsin Photocycle, from Time-Resolved Nanosecond Spectra in the Visible

    Science.gov (United States)

    Lanyi, Janos K.

    2013-01-01

    Time-resolved measurements were performed on wild-type bacteriorhodopsin with an optical multi-channel analyzer in the spectral range of 350–735 nm, from 100 ns to the photocycle completion, at four temperatures in the 5–30 °C range. The intent was to examine the possibility of two K-like bathochromic intermediates and to obtain their spectra and kinetics in the visible. The existence of a second K-like intermediate, termed KL, had been postulated (Shichida et al., BBA 723:240–246, 1983) to reconcile inconsistencies in data in the pico- and microsecond time-domains. However, introduction of KL led to a controversy since neither its visible spectrum nor its kinetics could be confirmed. Infra-red data (Dioumaev & Braiman, J. Phys. Chem., B, 101:1655–1662, 1997), revealed a state, which might have been considered a homologue to KL but it had a kinetic pattern different from that of the earlier proposed KL. Here we characterize two distinct K-like intermediates, KE (“early”) and KL (“late”), by their spectra and kinetics in the visible as revealed by global kinetic analysis. The KE-to-KL transition has a time constant of ~250 ns at 20 °C, and describes a shift from KE with λmax at ~600 nm and extinction of ~56,000 M−1·cm−1 to KL with λmax at ~590 nm and extinction of ~50,000 M−1·cm−1. The temperature dependence of this transition is characterized by an enthalpy of activation ΔH# ~ 40 kJ/mol, and a positive entropy of activation ΔS#/R = ~4. The consequences of multiple K-like states for interpreting the spectral evolution in the early stages of the photocycle are discussed. PMID:19994879

  8. A heuristic model of damped quantum rotation effects in nuclear magnetic resonance spectra.

    Science.gov (United States)

    Szymański, S

    2011-01-28

    The damped quantum rotation (DQR) theory describes temperature effects in NMR spectra of hindered molecular rotators composed of identical atoms arranged in regular N-gons. In the standard approach, the relevant coherent dynamics are described quantum mechanically and the stochastic, thermally activated motions classically. The DQR theory is consistent. In place of random jumps over one, two, etc., maxima of the hindering potential, here one has damping processes of certain long-lived coherences between spin-space correlated eigenstates of the rotator. The damping-rate constants outnumber the classical jump-rate constants. The jump picture is recovered when the former cluster appropriately around only as many values as the number of the latter. The DQR theory was confirmed experimentally for hindered methyl groups in solids and even in liquids above 170 K. In this paper it is shown that for three-, four-, and sixfold rotators, the Liouville space equations of NMR line shapes, derived previously with the use of the quantum mechanical reduced density matrix approach, can be be given a heuristic justification. It is based on an equation of motion for the effective spin density matrix, where the relevant spin hamiltonian contains randomly fluctuating terms. The occurrence of the latter can be rationalized in terms of fluctuations of the tunneling splittings between the torsional sublevels of the rotator, including momentary liftings of the Kramers degeneracies. The question whether such degeneracy liftings are physical or virtual is discussed. The random terms in the effective hamiltonian can be Monte Carlo modeled as piecewise constant in time, which affords the stochastic equation of motion to be solved numerically in the Hilbert spin space. For sixfold rotators, this way of calculating the spectra can be useful in the instances where the Liouville space formalism of the original DQR theory is numerically unstable.

  9. Evaluation of intrinsic chemical kinetics and transient product spectra from time-resolved spectroscopic data.

    Science.gov (United States)

    Dioumaev, A K

    1997-09-01

    This communication is devoted to the evaluation of true spectra and intrinsic (microscopic) rate constants from apparent kinetics measured in time-resolved spectroscopic experiments monitoring complex relaxation dynamics of multi-intermediate systems. Retinal proteins, cytochrom c oxidase, phytochrome, hemoglobin, and photoactive yellow protein are examples of natural systems in which several transient states (intermediates) overlap so strongly, both in time and spectral domains, that their isolation and full characterization by classical biochemical methods is impossible, and mathematical evaluation of their true spectra and microscopic kinetic constants is required. Most of the popular methods for analysis of kinetic data, global fitting (GF), singular value decomposition (SVD), principal component analysis (PCA) and factor analysis (FA), are applicable to two-dimensional (2D, in time and spectral domains) arrays of data. All these methods produce only a phenomenological description of data, that approximates the measured data only with apparent kinetics. A fundamental limitation, namely, insufficient information in 2D data, does not allow any of these methods to reach the final goal: to recalculate from apparent to intrinsic values in any but the most trivial cases. A strategy was proposed (J.F. Nagle, Biophys. J.. 59 (1991) 476-487) to include an additional (third) information-rich dimension, temperature, into the simultaneous computer analysis. A simultaneous direct fitting of 3D data arrays to systems of differential rate equations allows recalculation of apparent kinetics into true spectra and intrinsic rate constants. In spite of its evident theoretical advantages, this strategy has not been successful on real data. Here we describe another custom-built program, SCHEMEFIT, developed for the same purpose: to fit measured kinetics directly to the system of coupled differential rate equations describing the photochrome's relaxation dynamics. Though sharing the

  10. Phonon-assisted indirect transitions in angle-resolved photoemission spectra of graphite and graphene

    Science.gov (United States)

    Ayria, Pourya; Tanaka, Shin-ichiro; Nugraha, Ahmad R. T.; Dresselhaus, Mildred S.; Saito, Riichiro

    2016-08-01

    Indirect transitions of electrons in graphene and graphite are investigated by means of angle-resolved photoemission spectroscopy (ARPES) with several different incident photon energies and light polarizations. The theoretical calculations of the indirect transition for graphene and for a single crystal of graphite are compared with the experimental measurements for highly-oriented pyrolytic graphite and a single crystal of graphite. The dispersion relations for the transverse optical (TO) and the out-of-plane longitudinal acoustic (ZA) phonon modes of graphite and the TO phonon mode of graphene can be extracted from the inelastic ARPES intensity. We find that the TO phonon mode for k points along the Γ -K and K -M -K' directions in the Brillouin zone can be observed in the ARPES spectra of graphite and graphene by using a photon energy ≈11.1 eV. The relevant mechanism in the ARPES process for this case is the resonant indirect transition. On the other hand, the ZA phonon mode of graphite can be observed by using a photon energy ≈6.3 eV through a nonresonant indirect transition, while the ZA phonon mode of graphene within the same mechanism should not be observed.

  11. Time-resolved GRB spectra in the complex radiation of synchrotron and Compton processes

    Science.gov (United States)

    Jiang, Y. G.; Hu, S. M.; Chen, X.; Li, K.; Guo, D. F.; Li, Y. T.; Li, H. Z.; Zhao, Y. Y.; Lin, H. N.; Chang, Z.

    2016-03-01

    Under the steady-state condition, the spectrum of electrons is investigated by solving the continuity equation under the complex radiation of both the synchrotron and Compton processes. The resulted gamma-ray burst (GRB) spectrum is a broken power law in both the fast and slow cooling phases. On the basis of this electron spectrum, the spectral indices of the Band function in four different phases are presented. In the complex radiation frame, the detail investigation on physical parameters reveals that three models can answer the α ˜ -1 problem, which are the synchrotron plus synchrotron self-Compton in the internal and the external shock models, and the synchrotron plus the external Compton processes in the external shock model. A possible marginal to fast cooling phase transition in GRB 080916C is discussed. The time-resolved spectra in different main pulses of GRB 100724B, GRB 100826A and GRB 130606B are investigated. We found that the flux is proportional to the peak energy in almost all main pulses. A significant (5σ) correlation for Fp ˜ Ep is evident the first main pulse of GRB 100826A, and three marginally significant (3σ) correlations Fp ˜ Ep are found in main pulses of GRB 100826A and GRB 130606B. The correlation between spectral index and Ep at 3 ˜ 4σ level are observed in the first main pulse of GRB 100826A. Such correlations are possible explained in the complex radiation scenario.

  12. Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene

    Energy Technology Data Exchange (ETDEWEB)

    Fronzoni, Giovanna; Baseggio, Oscar; Stener, Mauro, E-mail: stener@univ.trieste.it [Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Trieste, Via L. Giorgieri 1, I-34127 Trieste (Italy); Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali, INSTM, Unita’ di Trieste, I-34127 Trieste (Italy); Hua, Weijie; Tian, Guangjun [Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm (Sweden); Luo, Yi [Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm (Sweden); National Synchrotron Radiation Laboratory and Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Apicella, Barbara; Alfé, Michela [Istituto di Ricerche sulla Combustione, IRC-CNR, P.le Tecchio, 80, 80125 Napoli (Italy); Simone, Monica de; Kivimäki, Antti [CNR-IOM, Laboratorio TASC, 34149 Trieste (Italy); Coreno, Marcello [CNR-IMIP, 00016 Montelibretti (Italy)

    2014-07-28

    We performed a combined experimental and theoretical study of the C1s Near-Edge X-ray Absorption Fine-Structure (NEXAFS) spectroscopy and X-ray Photoelectron Spectroscopy in the gas phase of two polycyclic aromatic hydrocarbons (phenanthrene and coronene), typically formed in combustion reactions. In the NEXAFS of both molecules, a double-peak structure appears in the C1s → LUMO region, which differ by less than 1 eV in transition energies. The vibronic coupling is found to play an important role in such systems. It leads to weakening of the lower-energy peak and strengthening of the higher-energy one because the 0 − n (n > 0) vibrational progressions of the lower-energy peak appear in nearly the same region of the higher-energy peak. Vibrationally resolved theoretical spectra computed within the Frank-Condon (FC) approximation and linear coupling model agree well with the high-resolution experimental results. We find that FC-active normal modes all correspond to in-plane vibrations.

  13. Application of Lie algebraic method to the calculation of rotational spectra for linear triatomic molecules

    Institute of Scientific and Technical Information of China (English)

    MENG; Qingtian

    2001-01-01

    [1]Iachello, F, Levine, R. D., Algebraic approach to molecular rotation-vibration spectra, I. Diatomic molecules, J, Chem.Phys.. 1982, 77: 3046.[2]Iachello. F.. Oss, S., Overtone frequencies and intensities of bent XY2 molecules in the vibron model, J. Mol. Spectrosc.,1990,142: 85.[3]Van Roosmalen, O. S., Iachello, F., Levine, R. D. et al., Algebraic approach to molecular rotation-vibration spectra, II. Triatomic molecules, J. Chem. Phys., 1983, 79: 2515.[4]Iachello, F., Levine, R. D., Algebraic approach to molecular rotation-vibration spectra, Int. J. Quantum Chem., 1983, 23:1679.[5]Cooper, I. L., Levine, R. D., Computed overtone spectra of linear triatomic molecules by dynamical symmetry, J. Mol. Spectrosc., 1991, 148: 391.[6]Iachello. F., Manini. N., Oss, S., Quasi-linear four-atomic molecules in the vibron model, J. Mol. Spectrosc., 1992, 156:190.[7]Wiesenfeld, L.. The vibron model for methane: stretch-bend interactions, J. Mol. Spectrosc., 1997, 184: 277.[8]Zheng, Y.. Ding, S., Vibrational spectra of HCN and OCS from second-order expansion of the U1(4) U2(4) algebra,Phys. Lett. A. 1999. 256: 197.[9]Zheng, Y.. Ding. S., Algebraic method for determining the potential energy surface for nonlinear triatomic molecules, Chem. Phys., 1999, 247: 225.[10]Zheng, Y.. Ding, S.. Algebraic description of stretching and bending vibrational spectra of H2O and H2S, J. Mol. Spectrosc.,2000. 201: 109.[11]Meng. Q., Zheng, Y., Ding, S., Lie algebraic approach to Fermi resonance levels of CS2 and CO2, Int. J. Quantum Chem.,2001, 81: 154.[12]Ding, S., Zheng, Y., Lie algebraic approach to potential energy surface for symmetric triatomic molecules, J. Chem. Phys.,1999. 111: 4466.[13]Zheng. Y., Ding, S., Algebraic approach to the potential energy surface for the electronic ground state of ozone, Chem.Phys.. 2000. 255: 217.[14]Zheng. Y., Ding, S., Theoretical study of nonlinear triatomic molecular potential energy surfaces: Lie

  14. Resolving the rotation measure of the M87 jet on kilo-parsec scales

    CERN Document Server

    Algaba, Juan-Carlos; Nakamura, Masanori

    2016-01-01

    We investigate the distribution of Faraday rotation measure (RM) in the M87 jet at arc-second scales by using archival polarimetric VLA data at 8, 15, 22 and 43 GHz. We resolve the structure of the RM in several knots along the jet for the first time. We derive the power spectrum in the arcsecond scale jet and find indications that the RM cannot be associated with a turbulent magnetic field with 3D Kolmogorov spectrum. Our analysis indicates that the RM probed on jet scales has a significant contribution of a Faraday screen associated with the vicinity of the jet, in contrast with that on kiloparsec scales, typically assumed to be disconnected from the jet. Comparison with previous RM analyses suggests that the magnetic fields giving rise to the RMs observed in jet scales have different properties and are well less turbulent than these observed in the lobes.

  15. Three-dimensional factorization of size-resolved organic aerosol mass spectra from Mexico City

    Directory of Open Access Journals (Sweden)

    I. M. Ulbrich

    2012-01-01

    Full Text Available A size-resolved submicron organic aerosol composition dataset from a high-resolution time-of-flight mass spectrometer (HR-ToF-AMS collected in Mexico City during the MILAGRO campaign in March 2006 is analyzed using 3-dimensional (3-D factorization models. A method for estimating the precision of the size-resolved composition data for use with the factorization models is presented here for the first time. Two 3-D models are applied to the dataset. One model is a 3-vector decomposition (PARAFAC model, which assumes that each chemical component has a constant size distribution over all time steps. The second model is a vector-matrix decomposition (Tucker 1 model that allows a chemical component to have a size distribution that varies in time. To our knowledge, this is the first report of an application of 3-D factorization models to data from fast aerosol instrumentation, and the first application of this vector-matrix model to any ambient aerosol dataset. A larger number of degrees of freedom in the vector-matrix model enable fitting real variations in factor size distributions, but also make the model susceptible to fitting noise in the dataset, giving some unphysical results. For this dataset and model, more physically meaningful results were obtained by partially constraining the factor mass spectra using a priori information and a new regularization method. We find four factors with each model: hydrocarbon-like organic aerosol (HOA, biomass-burning organic aerosol (BBOA, oxidized organic aerosol (OOA, and a locally occurring organic aerosol (LOA. These four factors have previously been reported from 2-dimensional factor analysis of the high-resolution mass spectral dataset from this study. The size distributions of these four factors are consistent with previous reports for these particle types. Both 3-D models produce useful results, but the vector-matrix model captures real variability in the size distributions that cannot be captured by the

  16. Three-dimensional factorization of size-resolved organic aerosol mass spectra from Mexico City

    Directory of Open Access Journals (Sweden)

    I. M. Ulbrich

    2011-07-01

    Full Text Available A size-resolved submicron organic aerosol composition dataset from a high-resolution time-of-flight mass spectrometer (HR-ToF-AMS collected in Mexico City during the MILAGRO campaign in March 2006 is analyzed using 3-dimensional (3-D factorization models. A method for estimating the precision of the size-resolved composition data for use with the factorization models is presented here for the first time. Two 3-D models are applied to the dataset. One model is a 3-vector decomposition (PARAFAC model, which assumes that each chemical component has a constant size distribution over all time steps. The second model is a vector-matrix decomposition (Tucker 1 model that allows a chemical component to have a size distribution that varies in time. To our knowledge, this is the first report of an application of 3-D factorization models to data from fast aerosol instrumentation; it is also the first application of this vector-matrix model to any ambient aerosol dataset. A larger number of degrees of freedom in the vector-matrix model enable fitting real variations in factor size distributions, but also make the model susceptible to fitting noise in the dataset, giving some unphysical results. For this dataset and model, more physical results were obtained by partially constraining the factor mass spectra using a priori information and a new regularization method. We find four factors with each model: hydrocarbon-like organic aerosol (HOA, biomass-burning organic aerosol (BBOA, oxidized organic aerosol (OOA, and a locally occurring organic aerosol (LOA. These four factors have previously been reported from 2-dimensional factor analysis of the high-resolution mass spectral dataset from this study. The size distributions of these four factors are consistent with previous reports for these particle types. Both 3-D models produce useful results, but the vector-matrix model captures real variability in the size distributions that cannot be captured by the 3

  17. The microwave and millimeter rotational spectra of the PCN radical ({tilde X}3Σ-)

    Science.gov (United States)

    Halfen, D. T.; Sun, M.; Clouthier, D. J.; Ziurys, L. M.

    2012-04-01

    The pure rotational spectrum of the PCN radical ({tilde X}3Σ-) has been measured for the first time using a combination of millimeter/submillimeter direct absorption and Fourier transform microwave (FTMW) spectroscopy. In the millimeter instrument, PCN was created by the reaction of phosphorus vapor and cyanogen in the presence of an ac discharge. A pulsed dc discharge of a dilute mixture of PCl3 vapor and cyanogen in argon was the synthetic method employed in the FTMW machine. Twenty-seven rotational transitions of PCN and six of P13CN in the ground vibrational state were recorded from 19 to 415 GHz, all which exhibited fine structure arising from the two unpaired electrons in this radical. Phosphorus and nitrogen hyperfine splittings were also resolved in the FTMW data. Rotational satellite lines from excited vibrational states with v2 = 1-3 and v1 = 1 were additionally measured in the submillimeter range. The data were analyzed with a Hund's case (b) effective Hamiltonian and rotational, fine structure, and hyperfine constants were determined. From the rotational parameters of both carbon isotopologues, the geometry of PCN was established to be linear, with a P-C single bond and a C-N triple bond, structurally comparable to other non-metal main group heteroatom cyanides. Analysis of the hyperfine constants suggests that the two unpaired electrons reside almost exclusively on the phosphorus atom in a π2 configuration, with little interaction with the nitrogen nucleus. The fine structure splittings in the vibrational satellite lines differ significantly from the pattern of the ground state, with the effect most noticeable with increasing v2 quantum number. These deviations likely result from spin-orbit vibronic perturbations from a nearby 1Σ+ state, suggested by the data to lie ˜12 000 cm-1 above the ground state.

  18. The microwave and millimeter rotational spectra of the PCN radical (X3Σ-).

    Science.gov (United States)

    Halfen, D T; Sun, M; Clouthier, D J; Ziurys, L M

    2012-04-14

    The pure rotational spectrum of the PCN radical (X(3)Σ(-)) has been measured for the first time using a combination of millimeter/submillimeter direct absorption and Fourier transform microwave (FTMW) spectroscopy. In the millimeter instrument, PCN was created by the reaction of phosphorus vapor and cyanogen in the presence of an ac discharge. A pulsed dc discharge of a dilute mixture of PCl(3) vapor and cyanogen in argon was the synthetic method employed in the FTMW machine. Twenty-seven rotational transitions of PCN and six of P(13)CN in the ground vibrational state were recorded from 19 to 415 GHz, all which exhibited fine structure arising from the two unpaired electrons in this radical. Phosphorus and nitrogen hyperfine splittings were also resolved in the FTMW data. Rotational satellite lines from excited vibrational states with v(2) = 1-3 and v(1) = 1 were additionally measured in the submillimeter range. The data were analyzed with a Hund's case (b) effective Hamiltonian and rotational, fine structure, and hyperfine constants were determined. From the rotational parameters of both carbon isotopologues, the geometry of PCN was established to be linear, with a P-C single bond and a C-N triple bond, structurally comparable to other non-metal main group heteroatom cyanides. Analysis of the hyperfine constants suggests that the two unpaired electrons reside almost exclusively on the phosphorus atom in a π(2) configuration, with little interaction with the nitrogen nucleus. The fine structure splittings in the vibrational satellite lines differ significantly from the pattern of the ground state, with the effect most noticeable with increasing v(2) quantum number. These deviations likely result from spin-orbit vibronic perturbations from a nearby (1)Σ(+) state, suggested by the data to lie ~12,000 cm(-1) above the ground state.

  19. Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds

    Energy Technology Data Exchange (ETDEWEB)

    Mani, Devendra; Arunan, E., E-mail: arunan@ipc.iisc.ernet.in [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012 (India)

    2014-10-28

    Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer [A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initio calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and “Atoms in Molecules” analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O–H⋯O, O–H⋯π, and C–H⋯π. To the best of our knowledge, propargyl alcohol seems to be the smallest molecule forming a homodimer with three different points of contact.

  20. Rotationally-Resolved Scattering of Formaldehyde from the 111Au Surface: AN Axis Specific Rotational Rainbow and its Role in Trapping Probability

    Science.gov (United States)

    Park, Barratt; Krueger, Bastian C.; Meyer, Sven; Kandratsenka, Alexander; Wodtke, Alec; Schaefer, Tim

    2017-06-01

    The conversion of translational to rotational motion often plays a major role in the trapping of small molecules at surfaces, a crucial first step for a wide variety of chemical processes that occur at gas-surface interfaces. However, to date most quantum-state resolved surface scattering experiments have been performed on diatomic molecules, and very little detailed information is available about how the structure of non-linear polyatomic molecules influences the mechanisms for energy exchange with surfaces. In the current work, we employ a new rotationally-resolved 1+1' resonance-enhanced multiphoton ionization (REMPI) scheme to measure rotational distribution in formaldehyde molecules directly scattered from the Au(111) surface at incident kinetic energies in the range 0.3-1.2 eV. The results indicate a pronounced propensity to excite a-axis rotation (twirling) rather than b- or c-axis rotation (tumbling or cartwheeling), and are consistent with a rotational rainbow scattering model. Classical trajectory calculations suggest that the effect arises--to zeroth order--from the three-dimensional shape of the molecule (steric effects). The results have broad implications for the enhanced trapping probability of prolate and near-prolate molecules at surfaces.

  1. O-Toluic Acid Monomer and Monohydrate: Rotational Spectra, Structures, and Atmospheric Implications

    Science.gov (United States)

    Schnitzler, Elijah G.; Zenchyzen, Brandi L. M.; Jäger, Wolfgang

    2015-06-01

    Clusters of carboxylic acids with water, sulfuric acid, and other atmospheric species potentially increase the rate of new particle formation in the troposphere. Here, we present high-resolution pure rotational spectra of o-toluic acid and its complex with water in the range of 5-14 GHz, measured with a cavity-based molecular beam Fourier-transform microwave spectrometer. In both the monomer and the complex, the carboxylic acid functional group adopts a syn- conformation, with the acidic proton oriented away from the aromatic ring. In the complex, water participates in two hydrogen bonds, forming a six-membered intermolecular ring. Despite its large calculated c-dipole moment, no c-type transitions were observed for the complex, because of a large amplitude "wagging" motion of the unbound hydrogen of water, similar to the case of the benzoic acid-water complex. No methyl internal rotation splittings were observed, consistent with a high barrier (7 kJ mol-1) calculated for the monomer at the B3LYP/6-311++G(d,p) level of theory. Using statistical thermodynamics, experimental rotational constants were combined with a theoretical frequency analysis and binding energy to give an estimate of the percentage of hydrated acid in the atmosphere under various conditions. F. Riccobono, et al., Science, 344, 717 (2014). R. Zhang, et al., Science, 304, 1487 (2004). E. G. Schnitzler and W. Jäger, Phys. Chem. Chem. Phys., 16, 2305 (2014).

  2. Molecular Spectra from Rotationally Invariant Hamiltonians Based on the Quantum Algebra SUq(2) and Irreducible Tensor Operators under SUq(2)

    CERN Document Server

    Bonatsos, D; Raychev, P P; Terziev, P A; Bonatsos, Dennis

    2003-01-01

    The rotational invariance under the usual physical angular momentum of the SUq(2) Hamiltonian for the description of rotational molecular spectra is explicitly proved and a connection of this Hamiltonian to the formalism of Amal'sky is provided. In addition, a new Hamiltonian for rotational spectra is introduced, based on the construction of irreducible tensor operators (ITOs) under SUq(2) and use of q-deformed tensor products and q-deformed Clebsch-Gordan coefficients. The rotational invariance of this SUq(2) ITO Hamiltonian under the usual physical angular momentum is explicitly proved and a simple closed expression for its energy spectrum (the ``hyperbolic tangent formula'') is introduced. Numerical tests against an experimental rotational band of HF are provided.

  3. Time-Resolved Raman Spectra Measured with an Aerosol Raman Spectrometer

    Science.gov (United States)

    Videen, G.; Doughty, D., III; Hill, S. C.; Wetmore, A.; James, D.

    2016-12-01

    Raman spectroscopy yields information about the composition of atmospheric particles, but generally requires offline analysis. To examine temporal trends in aerosol composition we use an automated aerosol Raman spectrometer (Battelle, Columbus, OH) which semi-continuously samples aerosol particles onto a metallized tape and within a few minutes measures the Raman spectra of these. We collected particles (24 hr at 15 minute intervals), clustered their Raman spectra, noted particle composition of many of them, and examined the time variations of numbers of spectra indicating different particle types. We discuss contemporaneous aerosol measurements, the heterogeneity of many particles as indicated by their Raman spectra, and the prevalence of Raman spectra similar to humic-like substances or soot, which we suggest may be related to the relatively large Raman cross sections of materials with extensively conjugated sp2 bonds.

  4. Analytical Model of Doppler Spectra of Light Backscattered from Rotating Convex Bodies of Revolution in the Global Cartesian Coordinate System

    Institute of Scientific and Technical Information of China (English)

    GONG Yan-Jun; WU Zhen-Sen; WU Jia-Ji

    2009-01-01

    We present an analytical model of Doppler spectra in backscattering from arbitrary rough convex bodies of revolution rotating around their axes in the global Cartesian coordinate system. This analytical model is applied to analyse Doppler spectra in backscatter from two cones and two cylinders, as well as two ellipsoids of revolution. We numerically analyse the influences of attitude and geometry size of objects on Doppler spectra. The analytical model can give contribution of the surface roughness, attitude and geometry size of convex bodies of revolution to Doppler spectra and may contribute to laser Doppler velocimetry as well as ladar applications.

  5. Investigation Jet Rotation in Young Stars via High Resolution UV Spectra

    Science.gov (United States)

    Bacciotti, Francesca

    2009-07-01

    In recent years we have successfully harnessed the high resolution of STIS in the optical to reveal asymmetries in Doppler shifts transverse to the flow direction in 8 T Tauri jets {Bacciotti ea 2002; Woitas ea 2005; Coffey ea 2004; 2007}. We interpret the findings, just 100 AU above the disk, as signatures of jet rotation. The significance of these results is considerable. They form the only existing observational indications supporting the theory that jets extract angular momentum from star-disk systems. Furthermore, they hold the potential to discriminate between the main model contenders: X-wind and Disk-wind {Ferreira ea 2006}. Although our results are encouraging, it is evident that we are only marginally resolving the effects of rotation because of the limiting resolution {spatially and spectrally} of STIS in the optical. Therefore, in Cycle 12 we proposed to extend this study into the near-ultraviolet {NUV}, giving double the spatial and spectral resolution {proposal ID 9807}. Unfortunately, only 3 targets in our survey were observed before the failure of STIS {Coffey ea 2007}. Nevertheless, the results were very exciting. Agreement was found between the optical and NUV results in terms of the magnitude and sense of the Doppler shift gradient across the jet. Furthermore, the NUV lines indicated that the observed high velocity gas was launched from about 0.2-0.5 AU, compared to the lower velocity gas traced in optical lines which originates from as far as 2 AU. This puts a strong contraint on MHD launch models, and indeed holds the potential to differentiate between them. Given that the strength of a rotation argument lies in the survey nature of the findings, we need to resume this program in order to see if the same rotation signatures are commonly seen in the NUV, as they are in the optical. Furthermore, the higher spatial and spectral resolution of STIS in the NUV will allow us to more accurately quantify the variation in toroidal velocity as a function

  6. Intrinsic and collective structure of an algebraic model of molecular rotation-vibration spectra

    Energy Technology Data Exchange (ETDEWEB)

    Leviatan, A.; Kirson, M.W.

    1988-11-15

    A geometrical framework is provided for a recently proposed interacting boson model of molecular rotation-vibration spectra. An intrinsic state is defined by way of a boson condensate parametrized in terms of shape variables and is used to generate an energy surface. The global minimum of the energy surface determines an equilibrium condensate which serves as the basis for an exact separation of the Hamiltonian into intrinsic and collective parts. A Bogoliubov treatment of the intrinsic part produces, in leading order, the normal modes of vibration and their frequencies, the collective degrees of freedom being represented by zero-frequency Goldstone modes associated with spontaneous symmetry breaking in the condensate. The method is very useful in interpreting numerical results of the algebraic model, in identifying the capabilities and inadequacies of the Hamiltonian, and in constructing appropriate algebraic Hamiltonians for specific molecules. copyright 1988 Academic Press, Inc.

  7. Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories

    Energy Technology Data Exchange (ETDEWEB)

    Petit, Andrew S.; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, 231 S. 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2014-10-21

    We report a surface hopping approach for modeling the full time- and frequency-resolved differential absorbance spectra (beyond the inhomogenous limit) obtained in ultrafast pump-probe experiments. In our approach, we combine dynamical information obtained from ensembles of classical trajectories propagated on the ground and on the excited potential energy surfaces to directly calculate optical response functions and hence spectral lineshapes. We demonstrate that our method is exact for the model problem of two shifted harmonic potentials with identical harmonic frequencies in the absence of electronic relaxation. We then consider a model three state system with electronic relaxation and show that our method is able to capture the effects of nonadiabatic excited state dynamics on the time-dependent differential absorbance spectra. Furthermore, by comparing our spectra against those spectra calculated with either an (1) inhomogenous expression, (2) ground-state Kubo theory, or (3) excited-state Kubo theory, we show that including dynamical information from both the ground and excited potential energy surfaces significantly improves the reliability of the semiclassical approximations. As such, our surface hopping method should find immediate use in modeling the time-dependent differential abosrbance spectra of ultrafast pump-probe experiments.

  8. FT-IR reflection spectra of single crystals: resolving phonons of different symmetry without using polarised radiation

    Directory of Open Access Journals (Sweden)

    METODIJA NAJDOSKI

    2000-07-01

    Full Text Available Fourier-transform infrared (FT-IR reflection spectra, asquired at nearnormal incidence, were recorded from single crystals belonging to six crystal systems: CsCr(SO42.12H2O (alum, cubic, K2CuCl2·2H2O (Mitscherlichite, tetragonal, CaCO3 (calcite, hexagonal, KHSO4 (mercallite, orthorhombic, CaSO4·2H2O (gypsum, monoclinic and CuSO4·5H2O (chalcantite, triclinic. The acquired IR reflection spectra were further transformed into absorption spectra, employing the Kramers-Kronig transformation. Except for the cubic alums, the spectra strongly depend on the crystal face from which they were recorded; this is a consequence of anisotropy. Phonons of a given symmetry (E-species, in tetragonal/hexagonal and B-species, in monoclinic crystals may be resolved without using a polariser. The spectrum may be simplified in the case of an orthorhombic crystal, as well. The longitudinal-optical (LO and transversal-optical (TO mode frequencies were calculated in the case of optically isotropic and the simplified spectra of optically uniaxial crystals.

  9. Rotation-Vibration Spectra of Malonaldehyde Obtained with Far-Infrared Synchrotron Radiation

    Science.gov (United States)

    Tokaryk, D. W.; Ross, S. C.; Forthomme, D.; Prescott, J. E.; Yamada, K. M. T.; Ito, F.

    2011-06-01

    Malonaldehyde is an open 5-membered ring molecule which exhibits interesting quantum-mechancial effects due to tunnelling of one of its protons. This results in a 21 Cm-1 tunnelling-splitting in the ground vibrational state, which has been well-studied by microwave spectroscopy. We have taken far-infrared Fourier transform spectra of malonaldehyde at the Canadian Light Source synchrotron, and have recorded a number of rotation-vibration fundamental bands between 100-1000 Cm-1 at 0.00096 Cm-1 resolution. The data permit us to determine with high precision the changes in the tunnelling-splitting induced by vibrational excitation. We have also observed spectra at 240 and 219 Cm-1 that appear to be transitions from the two components of the ground vibrational state to a common upper state that is not mentioned in conventional vibrational analyses of malonaldehyde. We will offer suggestions as to the nature of the newly-observed state. P. Turner, S. L. Baughcum, S. L. Coy and Z. Smith, J. Am. Chem. Soc. 106 (1984) 2265-2267 T. Baba, T. Tanaka, I. Morino, K. M. T. Yamada and K. Tanaka, J. Chem. Phys. 110 (1999) 4131-4133. A. Alparone and S. Millefiori, Chem. Phys. 290 (2003) 15-25.

  10. Vibrational-rotational spectra of GaF and global multi-isotopologue analysis

    Science.gov (United States)

    Uehara, Hiromichi; Horiai, Koui; Katsuie, Shunsuke

    2016-07-01

    In total, 521 vibrational-rotational spectral lines of the Δv = 1 transitions of 69GaF and 71GaF up to bands v = 5-4 and 4-3, respectively, were recorded in emission with a Fourier-transform spectrometer at unapodized resolution 0.010 cm-1 in range 625-660 cm-1. The response of a HgCdTe detector enforced the lower limit, 625 cm-1. To calibrate accurately the spectral lines, the absorption spectrum of CO2 was simultaneously recorded, using dual sample cells, to serve as wavenumber standards. A set of 782 spectral lines comprising all present vibrational-rotational spectra of 69GaF and 71GaF, the reported laser-diode measurements of the Δv = 1 band sequence and the reported rotational spectra was subjected to a global multi-isotopologue analysis through fitting with 11 isotopically invariant, irreducible molecular parameters in a single set. Normalized standard deviation 1.093 indicates a satisfactory fit. For the effects of the breakdown of the Born-Oppenheimer approximation on GaF, the values of non-Born-Oppenheimer parameters ΔBGa, ΔωGa and r1qGa(=r1qF) are experimentally determined for the first time. To facilitate the calculations or predictions of spectral frequencies, the values of the Dunham coefficients of 24 Yij and 81 band parameters for both 69GaF and 71GaF were back-calculated with uncertainties using the 11 evaluated molecular parameters. To date, various types of effective Be, re, ωe, and k have been reported for GaF. Because, in the present work, Dunham coefficients Yij are algebraically expressed with the genuine Be, ωe, ai (i = 1, …) and the non-Born-Oppenheimer correction parameters, the exact expressions for the physical significance of effective quantities are derivable. The various effective quantities of Be, re, ωe and k calculated with these expressions for the physical significance and the determined values of the fitted parameters of GaF agree satisfactorily with the reported values. The physical significance of the conventional

  11. Comparison of species-resolved energy spectra from ACE EPAM and Van Allen Probes RBSPICE

    Science.gov (United States)

    Patterson, J.; Manweiler, J. W.; Armstrong, T. P.; Lanzerotti, L. J.; Gerrard, A. J.; Gkioulidou, M.

    2013-12-01

    We present a comparison between energy spectra measured by the Advanced Composition Explorer (ACE) Electron Proton Alpha Monitor (EPAM) instrument and the Van Allen Probe Ion Composition Experiment (RBSPICE) for two significant and distinct events in early 2013. The first is an impulsive solar particle event on March 17th. While intense, this event presented no significant surprises in terms of its composition or anisotropy characteristics, thus providing a good baseline for response of the trapped radiation belts as observed by the Van Allen Probes. The second solar event occurred late May 22nd and early May 23rd. This event has a much greater concentration of medium and heavy ions than the St. Patrick's Day event, as well as having very peculiar energy spectra with evidence of two distinct populations. During the St. Patrick's Day Event, the energy spectra for helium, carbon, oxygen, neon, silicon, and iron all show the same spectral power law slope -3.1. The event shows strong anisotropy with intensities differing by a factor of four for both protons and Z>1 ions. The late May event also has strong anisotropy, and in the same directions as the St. Patrick's Day Event, but with very different composition and energy spectra. The spectra are much harder with power law spectral slopes of -0.5. Additionally, there is a significant spectral bump at 3 MeV/nuc for helium that is not present in the spectra of the heavier ions. The intensities of the heavier ions, however, show an increase that is an order of magnitude greater than the increase seen for helium. The March 17 RBSPICE observations show multiple injection events lasting for less than an hour each during the Van Allen Probes B apogees. These injections are seen in protons as well as Helium and only somewhat observed in Oxygen. Spectral slopes for the observations range from approximately -5 during quiet times to double peaked events with a spectral slope of approximately -2 at the beginning of the injection

  12. Synchrotron-based rotationally resolved high-resolution FTIR spectroscopy of azulene and the unidentified infrared bands of astronomy.

    Science.gov (United States)

    Albert, Sieghard; Lerch, Philippe; Quack, Martin

    2013-10-07

    Chasing the unidentified IR bands: The first rotationally resolved high-resolution infrared spectrum of azulene is reported using synchrotron Fourier transform infrared spectroscopy including a rovibrational analysis of the out-of-plane fundamental ν44. Comparison of azulene, naphthalene, indole, and biphenyl infrared bands leads to coincidences with UIR bands at 12.8 μm with naphthalene and at 13.55 and 14.6 μm with biphenyl bands, but excluding azulene as a strong absorber.

  13. Modelling high-resolution spatially-resolved Supernova Remnant spectra with the Sardinia Radio Telescope

    CERN Document Server

    Loru, Sara; Egron, Elise; Iacolina, Noemi; Righini, Simona; Marongiu, Marco; Mulas, Sara; Murtas, Giulia; Simeone, Davide; Pilia, Maura; Bachetti, Matteo; Trois, Alessio; Ricci, Roberto; Melis, Andrea; Concu, Raimondo

    2016-01-01

    Supernova Remnants (SNRs) exhibit spectra featured by synchrotron radio emission arising from the relativistic electrons, and high-energy emission from both leptonic (Bremsstrahlung and Inverse Compton) and hadronic processes (${\\pi}^0$ mesons decay) which are a direct signature of cosmic rays acceleration. Thanks to radio single-dish imaging observations obtained in three frequency bands (1.6, 7, 22 GHz) with the Sardinia Radio Telescope (www.srt.inaf.it), we can model different SNR regions separately. Indeed, in order to disentangle interesting and peculiar hadron contributions in the high-energy spectra (gamma-ray band) and better constrain SNRs as cosmic rays emitters, it is crucial to fully constrain lepton contributions first through radio-observed parameters. In particular, the Bremsstrahlung and Inverse Compton bumps observed in gamma-rays are bounded to synchrotron spectral slope and cut-off in the radio domain. Since these parameters vary for different SNR regions and electron populations, spatially...

  14. Vibronic-structure tracking: A shortcut for vibrationally resolved UV/Vis-spectra calculations

    Energy Technology Data Exchange (ETDEWEB)

    Barton, Dennis; König, Carolin; Neugebauer, Johannes, E-mail: j.neugebauer@uni-muenster.de [Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster (Germany)

    2014-10-28

    The vibrational coarse structure and the band shapes of electronic absorption spectra are often dominated by just a few molecular vibrations. By contrast, the simulation of the vibronic structure even in the simplest theoretical models usually requires the calculation of the entire set of normal modes of vibration. Here, we exploit the idea of the mode-tracking protocol [M. Reiher and J. Neugebauer, J. Chem. Phys. 118, 1634 (2003)] in order to directly target and selectively calculate those normal modes which have the largest effect on the vibronic band shape for a certain electronic excitation. This is achieved by defining a criterion for the importance of a normal mode to the vibrational progressions in the absorption band within the so-called “independent mode, displaced harmonic oscillator” (IMDHO) model. We use this approach for a vibronic-structure investigation for several small test molecules as well as for a comparison of the vibronic absorption spectra of a truncated chlorophyll a model and the full chlorophyll a molecule. We show that the method allows to go beyond the often-used strategy to simulate absorption spectra based on broadened vertical excitation peaks with just a minimum of computational effort, which in case of chlorophyll a corresponds to about 10% of the cost for a full simulation within the IMDHO approach.

  15. The sensitivity of saturation transfer electron paramagnetic resonance spectra to restricted amplitude uniaxial rotational diffusion.

    Science.gov (United States)

    Hustedt, E J; Beth, A H

    2001-12-01

    Computational methods have been developed to model the effects of constrained or restricted amplitude uniaxial rotational diffusion (URD) on saturation transfer electron paramagnetic resonance (ST-EPR) signals observed from nitroxide spin labels. These methods, which have been developed to model the global rotational motion of intrinsic membrane proteins that can interact with the cytoskeleton or other peripheral proteins, are an extension of previous work that described computationally efficient algorithms for calculating ST-EPR spectra for unconstrained URD (Hustedt and Beth, 1995, Biophys. J. 69:1409-1423). Calculations are presented that demonstrate the dependence of the ST-EPR signal (V'(2)) on the width (Delta) of a square-well potential as a function of the microwave frequency, the correlation time for URD, and the orientation of the spin-label with respect to the URD axis. At a correlation time of 10 micros, the V'(2) signal is very sensitive to Delta in the range from 0 to 60 degrees, marginally sensitive from 60 degrees to 90 degrees, and insensitive beyond 90 degrees. Sensitivity to Delta depends on the correlation time for URD with higher sensitivity to large values of Delta at the shorter correlation times, on the microwave frequency, and on the orientation of the spin-label relative to the URD axis. The computational algorithm has been incorporated into a global nonlinear least-squares analysis approach, based upon the Marquardt-Levenberg method (Blackman et al., 2001, Biophys. J. 81:3363-3376). This has permitted determination of the correlation time for URD and the width of the square-well potential by automated fitting of experimental ST-EPR data sets obtained from a spin-labeled membrane protein and provided a new automated method for analysis of data obtained from any system that exhibits restricted amplitude URD.

  16. Molecular component distribution imaging of living cells by multivariate curve resolution analysis of space-resolved Raman spectra.

    Science.gov (United States)

    Ando, Masahiro; Hamaguchi, Hiro-o

    2014-01-01

    Label-free Raman microspectroscopy combined with a multivariate curve resolution (MCR) analysis can be a powerful tool for studying a wide range of biomedical molecular systems. The MCR with the alternating least squares (MCR-ALS) technique, which retrieves the pure component spectra from complicatedly overlapped spectra, has been successfully applied to in vivo and molecular-level analysis of living cells. The principles of the MCR-ALS analysis are reviewed with a model system of titanium oxide crystal polymorphs, followed by two examples of in vivo Raman imaging studies of living yeast cells, fission yeast, and budding yeast. Due to the non-negative matrix factorization algorithm used in the MCR-ALS analysis, the spectral information derived from this technique is just ready for physical and/or chemical interpretations. The corresponding concentration profiles provide the molecular component distribution images (MCDIs) that are vitally important for elucidating life at the molecular level, as stated by Schroedinger in his famous book, "What is life?" Without any a priori knowledge about spectral profiles, time- and space-resolved Raman measurements of a dividing fission yeast cell with the MCR-ALS elucidate the dynamic changes of major cellular components (lipids, proteins, and polysaccharides) during the cell cycle. The MCR-ALS technique also resolves broadly overlapped OH stretch Raman bands of water, clearly indicating the existence of organelle-specific water structures in a living budding yeast cell.

  17. Nuclear size effects in rotational spectra: A tale with a twist

    Energy Technology Data Exchange (ETDEWEB)

    Knecht, Stefan, E-mail: knecht@ifk.sdu.dk [Department of Physics and Chemistry, University of Southern Denmark, Campusvej 55, 5230 Odense M (Denmark); Saue, Trond, E-mail: trond.saue@irsamc.ups-tlse.fr [Laboratoire de Physique Quantique (CNRS UMR 5626), IRSAMC, Universite Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse cedex (France)

    2012-06-05

    Graphical abstract: Molecular field shift: 4-Component relativistic calibration calculations show a coincidence of errors in previous theoretical and experimental studies of nuclear volume effects in the rotational spectra of diatomics. The central quantity for the calculation of corrections to the rotational Dunham coefficient Y{sub 01} is the derivative of the electron density with respect to internuclear distance, here shown for the TlI molecule. Abstract: We report a 4-component relativistic benchmark study of the isotopic field shift in the rotational spectrum of three diatomic molecules: TlI, PbTe and PtSi. A central quantity in the theory is the derivative with respect to internuclear distance of an effective electron density associated with a given nucleus, calculated at the equilibrium distance. The effective density, which is related to the mean electron density within the nuclear volume, is usually replaced with the contact density, that is, the electron density at the origin of the nucleus. Our computational study shows that for the chosen systems this induces errors on the order of 10%, which is not acceptable for high-precision work. On the other hand, the systematic nature of the error suggests that it can be handled by an atom-specific correction factor. Our calibration study reveals that relativistic effects increase the contact density gradient by about an order of magnitude, and that the proper transformation of the associated property operator is mandatory in 1- and 2-component relativistic calculations. Our results show very good agreement with the experimental data presented by Schlembach and Tiemann [Chem. Phys. 68 (1982) 21], but disagree completely with the revised results given by the same group in a later paper [Chem. Phys. 93 (1985) 349]. We have carefully re-derived the relevant formulas and cannot see that the rescaling of results is justified. Curiously previous DFT calculations agree quite well with the revised results for TlI and Pb

  18. Rotational Diffusion of Plasmon-Resonant Gold Nanorods for Depth-Resolved Microrheology Using Optical Coherence Tomography

    Science.gov (United States)

    Oldenburg, Amy; Chhetri, Raghav; Kozek, Krystian; Johnston-Peck, Aaron; Tracy, Joseph

    2011-03-01

    The ability to perform microrheology in optically thick samples would enable analysis of bulk tissues. Optical coherence tomography (OCT) provides imaging several mean free scattering path lengths into tissue. In this study we report the use of plasmon-resonant gold nanorods as microrheological sensors in OCT. Nanorods exhibit a longitudinal mode that is excited when they are oriented parallel to the polarization of the incident light, which is favorable for passive microrheology using polarized light to monitor their rotational diffusion. We demonstrate measurements of the rotational diffusion of unconfined, colloidal gold nanorods using polarization-sensitive OCT, and validate the Stokes-Einstein relationship for the nanorods in simple fluids of varying viscosity. We then show that OCT provides depth-resolved imaging of fluid viscosity through measurements of the rotational diffusion rate of the nanorods. We acknowledge support from the Carolina Cancer Center for Nanotechnology Excellence (C-CCNE NIH (NCI) #U54CA119343).

  19. Data-driven signal-resolving approaches of infrared spectra to explore the macroscopic and microscopic spatial distribution of organic and inorganic compounds in plant.

    Science.gov (United States)

    Chen, Jian-bo; Sun, Su-qin; Zhou, Qun

    2015-07-01

    The nondestructive and label-free infrared (IR) spectroscopy is a direct tool to characterize the spatial distribution of organic and inorganic compounds in plant. Since plant samples are usually complex mixtures, signal-resolving methods are necessary to find the spectral features of compounds of interest in the signal-overlapped IR spectra. In this research, two approaches using existing data-driven signal-resolving methods are proposed to interpret the IR spectra of plant samples. If the number of spectra is small, "tri-step identification" can enhance the spectral resolution to separate and identify the overlapped bands. First, the envelope bands of the original spectrum are interpreted according to the spectra-structure correlations. Then the spectrum is differentiated to resolve the underlying peaks in each envelope band. Finally, two-dimensional correlation spectroscopy is used to enhance the spectral resolution further. For a large number of spectra, "tri-step decomposition" can resolve the spectra by multivariate methods to obtain the structural and semi-quantitative information about the chemical components. Principal component analysis is used first to explore the existing signal types without any prior knowledge. Then the spectra are decomposed by self-modeling curve resolution methods to estimate the spectra and contents of significant chemical components. At last, targeted methods such as partial least squares target can explore the content profiles of specific components sensitively. As an example, the macroscopic and microscopic distribution of eugenol and calcium oxalate in the bud of clove is studied.

  20. Vibrationally resolved translational energy release spectra from the ultraviolet photodissociation of methyl mercaptan

    Science.gov (United States)

    Segall, J.; Wen, Y.; Singer, R.; Dulligan, M.; Wittig, C.

    1993-11-01

    Product translational energy release spectra resulting from 248 and 193 nm photodissociation of methyl mercaptan are obtained for the hydrogen atom channels (CH3SH+hν→CH3S+H) by using the high-n Rydberg time-of-flight technique. The spectra exhibit vibrational structure that is assigned to a CH3-S stretch progression. At 248 nm, the progression extends only to v=2, while at 193 nm levels up to approximately v=17 are populated. The progression observed at 193 nm is bimodal, with the higher kinetic energy component showing greater spatial anisotropy than the lower energy component, suggesting that two different processes occurring on different time scales are responsible for the two components. The results at 248 nm are consistent with excitation to a repulsive electronic surface. For 193 nm excitation, the high kinetic energy component is consistent with direct photoexcitation to a repulsive surface and/or rapid intramolecular access to a repulsive surface. The lower kinetic energy component presumably derives from the molecule spending more time on an excited surface. A simple model is applied to estimate the extent of C-S bond extension for the various processes.

  1. Vibrationally resolved translational energy release spectra from the ultraviolet photodissociation of methyl mercaptan

    Energy Technology Data Exchange (ETDEWEB)

    Segall, J.; Wen, Y.; Singer, R.; Dulligan, M.; Wittig, C. (Department of Chemistry, University of Southern California, Los Angeles, California 90089 (United States))

    1993-11-01

    Product translational energy release spectra resulting from 248 and 193 nm photodissociation of methyl mercaptan are obtained for the hydrogen atom channels (CH[sub 3]SH+[ital h][nu][r arrow]CH[sub 3]S+H) by using the high-[ital n] Rydberg time-of-flight technique. The spectra exhibit vibrational structure that is assigned to a CH[sub 3]--S stretch progression. At 248 nm, the progression extends only to [ital v]=2, while at 193 nm levels up to approximately [ital v]=17 are populated. The progression observed at 193 nm is bimodal, with the higher kinetic energy component showing greater spatial anisotropy than the lower energy component, suggesting that two different processes occurring on different time scales are responsible for the two components. The results at 248 nm are consistent with excitation to a repulsive electronic surface. For 193 nm excitation, the high kinetic energy component is consistent with direct photoexcitation to a repulsive surface and/or rapid intramolecular access to a repulsive surface. The lower kinetic energy component presumably derives from the molecule spending more time on an excited surface. A simple model is applied to estimate the extent of C--S bond extension for the various processes.

  2. Time-resolved Absorption Spectra of the Laser-dressed Hydrogen Atom

    Science.gov (United States)

    Murakami, Mitsuko; Chu, Shih-I.

    2013-05-01

    A theoretical study of the transient absorption spectra for the laser-dressed hydrogen atom based on the accurate numerical solution of the time-dependent Schrödinger equation is presented. The timing of absorption is controlled by the time delay between an isolated extreme ultraviolet (XUV) pulse and a dressing infrared (IR) field. We identify two different kinds of physical processes in the spectra. One is the formation of dressed states, signified by the appearance of sidebands between the XUV absorption lines separated by one IR-photon energy. We show that their population is maximized when the XUV pulse coincides with the zero-crossing of the IR field, and that their energy can be manipulated by using a chirped IR field. The other process is the dynamical AC Stark shift induced by the IR field and probed by the XUV pulse. Our calculations indicate that the accidental degeneracy of the hydrogen atom leads to the multiple splittings of each XUV absorption line whose separations change in response to a slowly-varying IR envelope. Furthermore, we observe the Autler-Townes doublets for the n=2 and 3 states using the 656 nm dressing field, but their separation does not agree with the prediction by the conventional 3-level model that neglects the dynamical AC Stark effects.

  3. Synthesis and time-resolved absorption spectra of 1,3,3,5,2’-pentamethylspiro[indolinnaphthooxazine

    Institute of Scientific and Technical Information of China (English)

    张新宇; 金声; 明阳福; 梁永超; 于联合; 樊美公; 骆坚; 姚思德

    1995-01-01

    The title compound 1,3,3,5,2’-pentamethylspirooxazine (I) is synthesized and identified by 1R, 1H NMR and elemental analysis. The time-resolved transient absorption spectra of I are investigated by nanosecond laser flash photolysis. The photolysis of I in solution excited by 248 nm laser pulse results in two different colored species. One of them is a short-lived species (CT intermediate), which has two absorption maxima at 440 and 640 nm in acetonitrile, and 450 and 640 nm in cyclohexane. The corresponding lifetimes are 12 and 0.8 us, respectively. The absorption spectra of CT intermediate are not influenced by solvent polarity. This fact indicates that the structure of CT is between the zwitterionic and quinoidal ones. The much longer lifetime of CT in acetonitrile than in cyclohexane is due to the electron donating effect of methyl in position 5 of indolino ring. The long-lived colored species (>>80 us) proves a planar photomerocyanine (PMC) structure, whose absorption spectra in acetonitrile and cyc

  4. Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra

    CERN Document Server

    Decleva, P; Perveaux, A; Lauvergnat, D; Gatti, F; Lasorne, B; Halász, G J; Vibók, Á

    2016-01-01

    Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. We considered the ozone molecule: for this system the electronic wave packet leads to a dissociation process. In the present work, we investigate more specifically the time-resolved photoelectron angular distribution of the ozone molecule that provides a much more detailed description of the evolution of the electronic wave packet. We thus show that this experimental technique should be able to give access to observing in real time the creation of an electronic wave packet in a neutral molecule and its impact on a chemical process.

  5. Time-resolved spectra of dense plasma focus using spectrometer, streak camera, and CCD combination

    Energy Technology Data Exchange (ETDEWEB)

    Goldin, F. J. [Livermore Operations, National Security Technologies, LLC, Livermore, California 94550 (United States); Meehan, B. T.; Hagen, E. C. [North Las Vegas Facility, National Security Technologies, LLC, North Las Vegas, Nevada 89030 (United States); Wilkins, P. R. [Lawrence Livermore National Laboratories, Livermore, California 94550 (United States)

    2010-10-15

    A time-resolving spectrographic instrument has been assembled with the primary components of a spectrometer, image-converting streak camera, and CCD recording camera, for the primary purpose of diagnosing highly dynamic plasmas. A collection lens defines the sampled region and couples light from the plasma into a step index, multimode fiber which leads to the spectrometer. The output spectrum is focused onto the photocathode of the streak camera, the output of which is proximity-coupled to the CCD. The spectrometer configuration is essentially Czerny-Turner, but off-the-shelf Nikon refraction lenses, rather than mirrors, are used for practicality and flexibility. Only recently assembled, the instrument requires significant refinement, but has now taken data on both bridge wire and dense plasma focus experiments.

  6. Time-Resolved Spectra of Dense Plasma Focus Using Spectrometer, Streak Camera, CCD Combination

    Energy Technology Data Exchange (ETDEWEB)

    F. J. Goldin, B. T. Meehan, E. C. Hagen, P. R. Wilkins

    2010-10-01

    A time-resolving spectrographic instrument has been assembled with the primary components of a spectrometer, image-converting streak camera, and CCD recording camera, for the primary purpose of diagnosing highly dynamic plasmas. A collection lens defines the sampled region and couples light from the plasma into a step index, multimode fiber which leads to the spectrometer. The output spectrum is focused onto the photocathode of the streak camera, the output of which is proximity-coupled to the CCD. The spectrometer configuration is essentially Czerny–Turner, but off-the-shelf Nikon refraction lenses, rather than mirrors, are used for practicality and flexibility. Only recently assembled, the instrument requires significant refinement, but has now taken data on both bridge wire and dense plasma focus experiments.

  7. Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra

    Science.gov (United States)

    Decleva, Piero; Quadri, Nicola; Perveaux, Aurelie; Lauvergnat, David; Gatti, Fabien; Lasorne, Benjamin; Halász, Gábor J.; Vibók, Ágnes

    2016-11-01

    Recently we reported a series of numerical simulations proving that it is possible in principle to create an electronic wave packet and subsequent electronic motion in a neutral molecule photoexcited by a UV pump pulse within a few femtoseconds. We considered the ozone molecule: for this system the electronic wave packet leads to a dissociation process. In the present work, we investigate more specifically the time-resolved photoelectron angular distribution of the ozone molecule that provides a much more detailed description of the evolution of the electronic wave packet. We thus show that this experimental technique should be able to give access to observing in real time the creation of an electronic wave packet in a neutral molecule and its impact on a chemical process.

  8. Time-resolved fluorescence spectra of cis-stilbene in hexane and acetonitrile

    Science.gov (United States)

    Sajadi, M.; Dobryakov, A. L.; Garbin, E.; Ernsting, N. P.; Kovalenko, S. A.

    2010-04-01

    Transient fluorescence spectra from cis-stilbene in solution are recorded with 0.24 ps instrument response by a Kerr-Shutter upon excitation at 283 and 267 nm. The fluorescence decay shows no dependence on the excitation wavelength and proceeds monoexponentially with 0.21 ps in acetonitrile and 0.75 ps in hexane. No spectral shift or distortion of the fluorescence band is observed during the decay. Fluorescence contribution from 4a,4b-dihydrophenanthrene (DHP), produced in a competing reaction channel, was not detectable. From comparison with trans-fluorescence, the emission oscillator strength of cis-stilbene is determined to be 0.19 in hexane and 0.21 in acetonitrile.

  9. Time resolved measurements of the CF{sub 2} rotational temperature in pulsed fluorocarbon rf plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Gabriel, O; Stepanov, S; Pfafferott, M; Meichsner, J [Institute of Physics, University of Greifswald, Domstrasse 10a, D-17498, Greifswald (Germany)

    2006-11-01

    Knowledge of the absolute densities of small radicals like CF, CF{sub 2} and CF{sub 3} in fluorocarbon plasmas is essential for a fundamental understanding of plasma chemical processes and plasma surface interaction. Infrared absorption spectroscopy by means of tunable diode lasers (IR-TDLAS) was established and widely used for density measurements in the last decade. The often unknown parameter in the calculation of absolute radical densities from a measured absorption of a single line is the rotational temperature. In particular, a strong dependence of the line strength on rotational temperature has a significant influence on density calculation. In this paper we report on measurements of the CF{sub 2} rotational temperature in capacitively coupled CF{sub 4}/H{sub 2} plasmas (CCP) with rf (13.56 MHz) powers up to 200 W. Rotational temperatures in continuous and pulsed modes of the discharge were found to be between 300 and 450 K. Furthermore, first measurements of the time dependence of the rotational temperature in pulsed rf plasma are presented. The rotational temperature rises in the plasma phase within 0.1 s and goes down again to the temperature of the background gas in the plasma pause within 0.5 s. It is also shown that accurate density measurements of the radicals by means of single line absorption need correct information about the rotational temperature and careful selection of a suitable absorption line.

  10. Mathematical modeling of electro-rotation spectra of small particles in liquid solutions: Application to human erythrocyte aggregates

    Directory of Open Access Journals (Sweden)

    A. Zehe

    2004-02-01

    Full Text Available Electro-rotation can be used to determine the dielectric properties of cells, as well as to observe dynamic changes in both dielectric and morphological properties. Suspended biological cells and particles respond to alternating-field polarization by moving, deforming or rotating. While in linearly polarized alternating fields the particles are oriented along their axis of highest polarizability, in circularly polarized fields the axis of lowest polarizability aligns perpendicular to the plane of field rotation. Ellipsoidal models for cells are frequently applied, which include, beside sphere-shaped cells, also the limiting cases of rods and disks. Human erythrocyte cells, due to their particular shape, hardly resemble an ellipsoid. The additional effect of rouleaux formation with different numbers of aggregations suggests a model of circular cylinders of variable length. In the present study, the induced dipole moment of short cylinders was calculated and applied to rouleaux of human erythrocytes, which move freely in a suspending conductive medium under the effect of a rotating external field. Electro-rotation torque spectra are calculated for such aggregations of different length. Both the maximum rotation speeds and the peak frequencies of the torque are found to depend clearly on the size of the rouleaux. While the rotation speed grows with rouleaux length, the field frequency nup is lowest for the largest cell aggregations where the torque shows a maximum.

  11. Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons. [in interstellar medium

    Science.gov (United States)

    Bauer, S. H.; Borchardt, D. B.

    1990-01-01

    The wavelength range of a previously constructed multichannel fast recording spectrometer was extended to the mid-infrared. With the initial configuration, light intensities were recorded simultaneously with a silicon-diode array simultaneously at 20 adjacent wavelengths, each with a 20-micron time resolution. For studies in the infrared, the silicon diodes were replaced by a 20-element PbSe array of similar dimensions, cooled by a three-stage thermoelectric device. It is proposed that infrared emissions could be due to shock-heated low molecular-weight hydrocarbons. The full Swan band system appeared in time-integrated emission spectra from shock-heated C2H2; no soot was generated. At low resolution, the profiles on the high-frequency side of the black body maximum show no distinctive features. These could be fitted to Planck curves, with temperatures that declined with time from an initial high that was intermediate between T5 (no conversion) and T5(eq).

  12. Faraday rotation fluctutation spectra observed during solar occultation of the Helios spacecraft

    Science.gov (United States)

    Andreev, V.; Efimov, A. I.; Samoznaev, L.; Bird, M. K.

    1995-01-01

    Faraday rotation (FR) measurements using linearly polarized radio signals from the two Helios spacecraft were carried out during the period from 1975 to 1984. This paper presents the results of a spectral analysis of the Helios S-band FR fluctuations observed at heliocentric distances from 2.6 to 15 solar radii during the superior conjunctions 1975-1983. The mean intensity of the FR fluctuations does not exceed the noise level for solar offsets greater than ca. 15 solar radii. The rms FR fluctuation amplitude increases rapidly as the radio ray path approaches the Sun, varying according to a power law (exponent: 2.85 +/- 0.15) at solar distances 4-12 solar radii. At distances inside 4 solar radii the increase is even steeper (exponent: 5.6 +/- 0.2). The equivalent two-dimensional FR fluctuation spectrum is well modeled by a single power-law over the frequency range from 5 to 50 mHz. For heliocentric distances larger than 4 solar radii the spectral index varies between 1.1 and 1.6 with a mean value of 1.4 +/- 0.2, corresponding to a 3-D spectral index p = 2.4. FR fluctuations thus display a somwhat lower spectral index compared with phase and amplitude fluctuations. Surprisingly high values of the spectral index were found for measurements inside 4 solar radii (p = 2.9 +/- 0.2). This may arise from the increasingly dominant effect of the magnetic field on radio wave propagation at small solar offsets. Finally, a quasiperiodic component, believed to be associated with Alfven waves, was discovered in some (but not all!) fluctuation spectra observed simultaneously at two ground stations. Characteristic periods and bulk velocities of this component were 240 +/- 30 sec and 300 +/- 60 km/s, respectively.

  13. Exploring the effect of vibronic contributions on light harvesting efficiency of NKX-2587 derivatives through vibrationally resolved electronic spectra

    Science.gov (United States)

    Yang, Pan; Shen, Wei; Li, Ming; He, Rongxing

    2017-01-01

    The vibrationally resolved electronic spectra of five metal-free NKX-2587 derivatives containing heteroatom with different atomic sizes and electronegativity, were simulated within the Franck-Condon approximation including the Herzberg-Teller and Duschinsky effects, aimed at exploring the correlation of vibronic structure associated with the spectrum and efficiency of dye sensitized solar cells (DSSCs). The parameters of short-circuit current density (Jsc) and open circuit voltage (Voc) involving efficiency of DSSCs, such as total dipole moments (μnormal), the light harvesting efficiency (LHE), injection driving force (∆ Ginject), and the number of electrons in the conduction band (nc), were calculated and discussed in detail. Results showed that the heteroatoms in the same period with large size and weak electronegativity and the ones in the same main group with large size and weak electronegativity are beneficial to Voc. The sizes and electronegativity of the heteroatoms have a weak effect on Jsc. The low-frequency modes play important roles in enhancing the intensities of the electronic spectra and structures can affect light harvesting efficiency (LHE). In this sense, our results provided guidance for understanding the sources of spectral intensities of dye molecules, and a valuable help for rational design of new molecules to improve the energy conversion efficiency (η) of DSSCs.

  14. Site-resolved 2H relaxation experiments in solid materials by global line-shape analysis of MAS NMR spectra

    Science.gov (United States)

    Lindh, E. L.; Stilbs, P.; Furó, I.

    2016-07-01

    We investigate a way one can achieve good spectral resolution in 2H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the 2H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two 2H spin populations with similar chemical shifts but different quadrupole splittings. In 2H-exchanged cellulose containing two 2H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics.

  15. Bayesian analysis of resolved stellar spectra: application to MMT/Hectochelle Observations of the Draco dwarf spheroidal

    CERN Document Server

    Walker, Matthew G; Mateo, Mario

    2015-01-01

    We introduce a Bayesian method for fitting faint, resolved stellar spectra in order to obtain simultaneous estimates of redshift and stellar-atmospheric parameters. We apply the method to thousands of spectra---covering 5160-5280 Angs. at resolution R~20,000---that we have acquired with the MMT/Hectochelle fibre spectrograph for red-giant and horizontal branch candidates along the line of sight to the Milky Way's dwarf spheroidal satellite in Draco. The observed stars subtend an area of ~4 deg^2, extending ~3 times beyond Draco's nominal `tidal' radius. For each spectrum we tabulate the first four moments---central value, variance, skewness and kurtosis---of posterior probability distribution functions representing estimates of the following physical parameters: line-of-sight velocity v_los, effective temperature (T_eff), surface gravity (logg) and metallicity ([Fe/H]). After rejecting low-quality measurements, we retain a new sample consisting of 2813 independent observations of 1565 unique stars, including ...

  16. Quantum-based Molecular Dynamics Simulations of Shock-induced Reactions with Time-resolved Raman Spectra

    Science.gov (United States)

    Cawkwell, Marc; Sanville, Edward; Coe, Joshua; Niklasson, Anders

    2012-02-01

    Shock-induced reactions in liquid hydrocarbons have been studied using quantum-based, self-consistent tight-binding (SC-TB) molecular dynamics simulations with an accurate and transferable model for interatomic bonding. Our SC-TB code LATTE enables explicit simulations of shock compression using the universal liquid Hugoniot. Furthermore, the effects of adiabatic shock heating are captured precisely using Niklasson's energy conserving extended Lagrangian Born-Oppenheimer Molecular Dynamics formalism. We have been able to perform relatively large-scale SC-TB simulations by either taking advantage of the sparsity of the density matrix to achieve O(N) performance or by using graphics processing units to accelerate O(N^3) algorithms. We have developed the capability for the on-the-fly computation of Raman spectra from the Fourier transform of the polarizability autocorrelation function via the density matrix perturbation theory of Niklasson and Challacombe. These time-resolved Raman spectra enable us compare the results of our simulations with identical diagnostics collected experimentally. We will illustrate these capabilities with a series of simulations of shock-induced reaction paths in a number of simple molecules.

  17. Automated charge state determination of complex isotope-resolved mass spectra by peak-target Fourier transform.

    Science.gov (United States)

    Chen, Li; Yap, Yee Leng

    2008-01-01

    This study describes a new algorithm for charge state determination of complex isotope-resolved mass spectra. This algorithm is based on peak-target Fourier transform (PTFT) of isotope packets. It is modified from the widely used Fourier transform method because Fourier transform may give ambiguous charge state assignment for low signal-to-noise ratio (S/N) or overlapping isotopic clusters. The PTFT algorithm applies a novel "folding" strategy to enhance peaks that are symmetrically spaced about the targeted peak before applying the FT. The "folding" strategy multiplies each point to the high-m/z side of the targeted peak by its counterpart on the low-m/z side. A Fourier transform of this "folded" spectrum is thus simplified, emphasizing the charge state of the "chosen" ion, whereas ions of other charge states contribute less to the transformed data. An intensity-dependent technique is also proposed for charge state determination from frequency signals. The performance of PTFT is demonstrated using experimental electrospray ionization Fourier transform ion cyclotron resonance mass spectra. The results show that PTFT is robust for charge state determination of low S/N and overlapping isotopic clusters, and also useful for manual verification of potential hidden isotopic clusters that may be missed by the current analysis algorithms, i.e., AID-MS or THRASH.

  18. Dynamic Time-Resolved Chirped-Pulse Rotational Spectroscopy of Vinyl Cyanide Photoproducts in a Room Temperature Flow Reactor

    Science.gov (United States)

    Zaleski, Daniel P.; Prozument, Kirill

    2017-06-01

    Chirped-pulsed (CP) Fourier transform rotational spectroscopy invented by Brooks Pate and coworkers a decade ago is an attractive tool for gas phase chemical dynamics and kinetics studies. A good reactor for such a purpose would have well-defined (and variable) temperature and pressure conditions to be amenable to accurate kinetic modeling. Furthermore, in low pressure samples with large enough number of molecular emitters, reaction dynamics can be observable directly, rather than mediated by supersonic expansion. In the present work, we are evaluating feasibility of in situ time-resolved CP spectroscopy in a room temperature flow tube reactor. Vinyl cyanide (CH_2CHCN), neat or mixed with inert gasses, flows through the reactor at pressures 1-50 μbar (0.76-38 mTorr) where it is photodissociated by a 193 nm laser. Millimeter-wave beam of the CP spectrometer co-propagates with the laser beam along the reactor tube and interacts with nascent photoproducts. Rotational transitions of HCN, HNC, and HCCCN are detected, with ≥10 μs time-steps for 500 ms following photolysis of CH_2CHCN. The post-photolysis evolution of the photoproducts' rotational line intensities is investigated for the effects of rotational and vibrational thermalization of energized photoproducts. Possible contributions from bimolecular and wall-mediated chemistry are evaluated as well.

  19. Rotationally resolved state-to-state photoionization and photoelectron study of titanium carbide and its cation (TiC/TiC⁺).

    Science.gov (United States)

    Luo, Zhihong; Huang, Huang; Chang, Yih-Chung; Zhang, Zheng; Yin, Qing-Zhu; Ng, C Y

    2014-10-14

    Titanium carbide and its cation (TiC/TiC(+)) have been investigated by the two-color visible (VIS)-ultraviolet (UV) resonance-enhanced photoionization and pulsed field ionization-photoelectron (PFI-PE) methods. Two visible excitation bands for neutral TiC are observed at 16,446 and 16,930 cm(-1). Based on rotational analyses, these bands are assigned as the respective TiC((3)Π1) ← TiC(X(3)Σ(+)) and TiC((3)Σ(+)) ← TiC(X(3)Σ(+)) transition bands. This assignment supports that the electronic configuration and term symmetry for the neutral TiC ground state are …7σ(2)8σ(1)9σ(1)3π(4) (X(3)Σ(+)). The rotational constant and the corresponding bond distance of TiC(X(3)Σ(+); v″ = 0) are determined to be B0″ = 0.6112(10) cm(-1) and r0″ = 1.695(2) Å, respectively. The rotational analyses of the VIS-UV-PFI-PE spectra for the TiC(+)(X; v(+) = 0 and 1) vibrational bands show that the electronic configuration and term symmetry for the ionic TiC(+) ground state are …7σ(2)8σ(1)3π(4) (X(2)Σ(+)) with the v(+) = 0 → 1 vibrational spacing of 870.0(8) cm(-1) and the rotational constants of B(e)(+) = 0.6322(28) cm(-1), and α(e)(+) = 0.0085(28) cm(-1). The latter rotational constants yield the equilibrium bond distance of r(e)(+) = 1.667(4) Å for TiC(+)(X(2)Σ(+)). The cleanly rotationally resolved VIS-UV-PFI-PE spectra have also provided a highly precise value of 53 200.2(8) cm(-1) [6.5960(1) eV] for the adiabatic ionization energy (IE) of TiC. This IE(TiC) value along with the known IE(Ti) has made possible the determination of the difference between the 0 K bond dissociation energy (D0) of TiC(+)(X(2)Σ(+)) and that of TiC(X(3)Σ(+)) to be D0(Ti(+)-C) - D0(Ti-C) = 0.2322(2) eV. Similar to previous experimental observations, the present state-to-state PFI-PE study of the photoionization transitions, TiC(+)(X(2)Σ(+); v(+) = 0 and 1, N(+)) ← TiC((3)Π1; v', J'), reveals a strong decreasing trend for the photoionization cross section as |ΔN(+)| = |N

  20. Rotationally resolved state-to-state photoionization and photoelectron study of titanium carbide and its cation (TiC/TiC+)

    Science.gov (United States)

    Luo, Zhihong; Huang, Huang; Chang, Yih-Chung; Zhang, Zheng; Yin, Qing-Zhu; Ng, C. Y.

    2014-10-01

    Titanium carbide and its cation (TiC/TiC+) have been investigated by the two-color visible (VIS)-ultraviolet (UV) resonance-enhanced photoionization and pulsed field ionization-photoelectron (PFI-PE) methods. Two visible excitation bands for neutral TiC are observed at 16 446 and 16 930 cm-1. Based on rotational analyses, these bands are assigned as the respective TiC(3Π1) ← TiC(X3Σ+) and TiC(3Σ+) ← TiC(X3Σ+) transition bands. This assignment supports that the electronic configuration and term symmetry for the neutral TiC ground state are …7σ28σ19σ13π4 (X3Σ+). The rotational constant and the corresponding bond distance of TiC(X3Σ+; v″ = 0) are determined to be B0″ = 0.6112(10) cm-1 and r0″ = 1.695(2) Å, respectively. The rotational analyses of the VIS-UV-PFI-PE spectra for the TiC+(X; v+ = 0 and 1) vibrational bands show that the electronic configuration and term symmetry for the ionic TiC+ ground state are …7σ28σ13π4 (X2Σ+) with the v+ = 0 → 1 vibrational spacing of 870.0(8) cm-1 and the rotational constants of Be+ = 0.6322(28) cm-1, and αe+ = 0.0085(28) cm-1. The latter rotational constants yield the equilibrium bond distance of re+ = 1.667(4) Å for TiC+(X2Σ+). The cleanly rotationally resolved VIS-UV-PFI-PE spectra have also provided a highly precise value of 53 200.2(8) cm-1 [6.5960(1) eV] for the adiabatic ionization energy (IE) of TiC. This IE(TiC) value along with the known IE(Ti) has made possible the determination of the difference between the 0 K bond dissociation energy (D0) of TiC+(X2Σ+) and that of TiC(X3Σ+) to be D0(Ti+-C) - D0(Ti-C) = 0.2322(2) eV. Similar to previous experimental observations, the present state-to-state PFI-PE study of the photoionization transitions, TiC+(X2Σ+; v+ = 0 and 1, N+) ← TiC(3Π1; v', J'), reveals a strong decreasing trend for the photoionization cross section as |ΔN+| = |N+ - J'| is increased. The maximum |ΔN+| change of 7 observed here is also consistent with the previous

  1. Mass spectra of benzaldehyde using time resolved ion trapping mass spectrometer. Jikan bunkai ion trapping shitsuryo bunsekikei ni yoru benzaldehyde no mass spector

    Energy Technology Data Exchange (ETDEWEB)

    Ishigane, M.; Isa, K. (Fukui Univ., Fukui (Japan). Faculty of Education); Nishioka, K. (Fukui Univ., Fukui (Japan). Faculty of Engineering)

    1991-12-28

    An ion trapping mass spectrometer for time resolved analysis has been set up. The time resolved analysis function of this system is excellent and the ion detecting sensitivity is also high. Benzaldehyde is used as the specimen for the measurement of the A group of the mass spectra (m/z 105 106 and 107) by this system and similar mass spectra are obtained at delay time zero to those reported by now. Big changes are observed in the spectra when the delay times are varied. It is found that mass spectra which are different from those reported already are obtained when the mass spectrometer is pulse operated. In other words it can be said that the time dependence of the data on ion decomposition ( fragmentation) and ion/molecule reactions can be obtained in the state where solvent has no influence if this new system is adopted. 6 refs. 12 figs.

  2. Resolving the Effects of Rotation in Altair with Long-Baseline Interferometry

    CERN Document Server

    Peterson, D M; Pauls, T A; Armstrong, J T; Benson, J A; Gilbreath, C G; Hindsley, R B; Hutter, D J; Johnston, K J; Mozurkewich, D

    2006-01-01

    We report successful fitting of a Roche model, with a surface temperature gradient following the von Zeipel gravity darkening law, to observations of Altair made with the Navy Prototype Optical Interferometer. We confirm the claim by Ohishi, Nordgren, & Hutter that Altair displays an asymmetric intensity distribution due to rotation, the first such detection in an isolated star. Instrumental effects due to the high visible flux of this first magnitude star appear to be the limiting factor in the accuracy of this fit, which nevertheless indicates that Altair is rotating at 0.90+/-0.02 of its breakup (angular) velocity. Our results are consistent with the apparent oblateness found by van Belle et al. and show that the true oblateness is significantly larger owing to an inclination of the rotational axis of ~64 degrees to the line of sight. Of particular interest, we conclude that instead of being substantially evolved as indicated by its classification, A7 VI-V, Altair is only barely off the ZAMS and repres...

  3. Full-Dimensional Potential Energy and Dipole Moment Surfaces of GeH4 Molecule and Accurate First-Principle Rotationally Resolved Intensity Predictions in the Infrared.

    Science.gov (United States)

    Nikitin, A V; Rey, M; Rodina, A; Krishna, B M; Tyuterev, Vl G

    2016-11-17

    Nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) of the germane molecule are constructed using extended ab initio CCSD(T) calculations at 19 882 points. PES analytical representation is determined as an expansion in nonlinear symmetry adapted products of orthogonal and internal coordinates involving 340 parameters up to eighth order. Minor empirical refinement of the equilibrium geometry and of four quadratic parameters of the PES computed at the CCSD(T)/aug-cc-pVQZ-DK level of the theory yielded the accuracy below 1 cm(-1) for all experimentally known vibrational band centers of five stable isotopologues of (70)GeH4, (72)GeH4, (73)GeH4, (74)GeH4, and (76)GeH4 up to 8300 cm(-1). The optimized equilibrium bond re = 1.517 594 Å is very close to best ab initio values. Rotational energies up to J = 15 are calculated using potential expansion in normal coordinate tensors with maximum errors of 0.004 and 0.0006 cm(-1) for (74)GeH4 and (76)GeH4. The DMS analytical representation is determined through an expansion in symmetry-adapted products of internal nonlinear coordinates involving 967 parameters up to the sixth order. Vibration-rotation line intensities of five stable germane isotopologues were calculated from purely ab initio DMS using nuclear motion variational calculations with a full account of the tetrahedral symmetry of the molecules. For the first time a good overall agreement of main absorption features with experimental rotationally resolved Pacific Northwest National Laboratory spectra was achieved in the entire range of 700-5300 cm(-1). It was found that very accurate description of state-dependent isotopic shifts is mandatory to correctly describe complex patterns of observed spectra at natural isotopic abundance resulting from the superposition of five stable isotopologues. The data obtained in this work will be made available through the TheoReTS information system.

  4. Spin-rotation effects in the Stern-Gerlach deflection spectra of 3Σ - molecules and their complexes with argon

    Science.gov (United States)

    Herrick, D. R.; Robin, M. B.; Gedanken, A.

    1989-01-01

    Stern-Gerlach (SG) magnetic deflection spectra have been calculated for the paramagnetic species 16O 2, 17O 2, NH, NCH 3, and HCCN, all in their 3Σ - electronic ground states. The latter four of these molecules at rotational temperatures of 3 K exhibit both an intense, symmetric three-line pattern due to population of members of the N = 0, S = 1, J = 1 spin-rotation level and, additionally, a weaker, asymmetric nine-line pattern due to population of members of the higher-lying N = 1, S = 1, J = 0, 2, 1 spin-rotation complex. The components of the nine-line patterns suffer Paschen-Back uncoupling at field strengths which correlate with the magnitudes of the electronic spin-spin coupling constants, and in the Paschen-Back regime, the nine lines regroup so as to converge upon the three-line pattern of the N = 0, S = 1, J = 1 level. In 16O 2 at 3 K, due to nuclear statistics only the nine-line pattern is observed; however, at a rotational temperature of 1 K only the J = 0 component of the N = 1, S = 1 complex is populated, and the SG spectrum consists of a single line with a slight paramagnetic (upfield) shift from zero deflection. Calculated anticrossings within the Zeeman manifold of spin-rotation states of 3Σ - molecules and their Ar complexes are readily apparent in the computed SG spectra as abrupt changes of the signs of deflection with increasing magnetic field. Complexation of 16O 2 with Ar at 3 K leads to a SG spectrum very different from that of 16O 2 itself at 3 K, but much more like that of 16O 2 at 1 K, i.e., a single line at small paramagnetic displacement, but with a width which increases with applied field strength. The deflection of this peak of Ar· 16O 2 is smaller than that of the corresponding peak of 16O 2 by just the inverse ratio of the masses of Ar· 16O 2 and 16O 2. Parallel calculations on Ar· 17O 2 reveal SG spectra which are more dense than those of Ar· 16O 2 under the same conditions, due to the differing nuclear statistics in the 17O

  5. Absolute Time-Resolved Emission of Non-LTE L-Shell Spectra from Ti-Doped Aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Back,C.; Feldman, U.; Weaver, J.; Seely, J.; Constantin, C.; Holland, G.; Lee, R.; Chung, H.; Scott, H.

    2006-01-01

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2 mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3 keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, {gamma}/{delta}{gamma} of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics.

  6. Absolute, time-resolved emission of non-LTE L-shell spectra from Ti-doped aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Back, C.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)]. E-mail: tinaback@llnl.gov; Feldman, U. [Artep Inc. 2922 Excelsior Ct., Ellicott City, MD 21042 (United States); Weaver, J.L. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Seely, J.F. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Constantin, C. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Holland, G. [Naval Research Laboratory, 4555 Overlook Drive, SW, Washington DC 20375 (United States); Lee, R.W. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Chung, H.-K. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States); Scott, H.A. [Lawrence Livermore National Laboratory, P.O. Box 808, L-21, Livermore, CA 94551 (United States)

    2006-05-15

    Outstanding discrepancies between data and calculations of laser-produced plasmas in recombination have been observed since the 1980s. Although improvements in hydrodynamic modeling may reduce the discrepancies, there are indications that non-LTE atomic kinetics may be the dominant cause. Experiments to investigate non-LTE effects were recently performed at the NIKE KrF laser on low-density Ti-doped aerogels. The laser irradiated a 2mm diameter, cylindrical sample of various lengths with a 4-ns square pulse to create a volumetrically heated plasma. Ti L-shell spectra spanning a range of 0.47-3keV were obtained with a transmission grating coupled to Si photodiodes. The diagnostic can be configured to provide 1-dimensional spatial resolution at a single photon energy, or 18 discrete energies with a resolving power, {lambda}/{delta}{lambda} of 3-20. The data are examined and compared to calculations to develop absolute emission measurements that can provide new tests of the non-LTE physics.

  7. HST Spatially Resolved Spectra of the Accretion Disc and Gas Stream of the Nova-Like Variable UX Ursae Majoris

    Science.gov (United States)

    Baptista, Raymundo; Horne, Keith; Wade, Richard A.; Hubeny, Ivan; Long, Knox S.; Rutten, Rene G. M.

    1998-01-01

    Time-resolved eclipse spectroscopy of the nova-like variable UX UMa obtained with the Hubble Space Telescope/Faint Object Spectrograph (HST/FOS) on 1994 August and November is analysed with eclipse mapping techniques to produce spatially resolved spectra of its accretion disk and gas stream as a function of distance from the disk centre. The inner accretion disk is characterized by a blue continuum filled with absorption bands and lines, which cross over to emission with increasing disk radius, similar to that reported at optical wavelengths. The comparison of spatially resolved spectra at different azimuths reveals a significant asymmetry in the disk emission at ultraviolet (UV) wavelengths, with the disk side closest to the secondary star showing pronounced absorption by an 'iron curtain' and a Balmer jump in absorption. These results suggest the existence of an absorbing ring of cold gas whose density and/or vertical scale increase with disk radius. The spectrum of the infalling gas stream is noticeably different from the disc spectrum at the same radius suggesting that gas overflows through the impact point at the disk rim and continues along the stream trajectory, producing distinct emission down to 0.1 R(sub LI). The spectrum of the uneclipsed light shows prominent emission lines of Lyalpha, N v lambda1241, SiIV Lambda 1400, C IV Lambda 1550, HeII Lambda 1640, and MgII Lambda 2800, and a UV continuum rising towards longer wavelengths. The Balmer jump appears clearly in emission indicating that the uneclipsed light has an important contribution from optically thin gas. The lines and optically thin continuum emission are most probably emitted in a vertically extended disk chromosphere + wind. The radial temperature profiles of the continuum maps are well described by a steady-state disc model in the inner and intermediate disk regions (R greater than or equal to 0.3R(sub LI) ). There is evidence of an increase in the mass accretion rate from August to November

  8. Effect of carrier recombination on time-resolved Faraday rotation spectroscopy in GaAs quantum wells%载流子复合对时间分辨法拉第旋转光谱的影响

    Institute of Scientific and Technical Information of China (English)

    滕利华; 王霞

    2011-01-01

    Based on the rate equations of a two-level system, time-resolved Faraday rotation spectroscopy model was developed.It was found that the carrier recombination has strong effect on the decay of Faraday rotation signal.The model was also used to fit the Faraday rotation spectra measured in GaAs quantum wells.The electron spin relaxation time was obtained as 73.5 ps.However, the spin relaxation time was obtained only as 51.3 ps with the single exponent to fit the Faraday rotation spectra.Thus, the conventional method with the single exponent to fit the Faraday rotation spectra is inaccurate.%利用二能级体系速率方程,推导了半导体中探测光探测到的法拉第旋转光谱的理论模型,发现电子-空穴对的复合对法拉第旋转信号随时间的衰减有重要影响,并利用该模型对GaAs量子阱中实验测得的法拉第旋转光谱进行拟合,得到GaAs量子阱材料中的电子自旋弛豫时间为73.5 ps,而直接利用单指数进行拟合得到的电子自旋弛豫时间仅为51.3 ps.因此,直接利用单指数对法拉第旋转光谱进行拟合得到电子自旋弛豫时间的传统做法是不准确的.

  9. Infrared vibration-rotation spectra of the ClO radical using tunable diode laser spectroscopy. [ozone destruction in stratosphere

    Science.gov (United States)

    Rogowski, R. S.; Bair, C. H.; Wade, W. R.; Hoell, J. M.; Copeland, G. E.

    1978-01-01

    Tunable diode laser spectroscopy is used to measure the infrared vibration-rotation spectra of the ClO radical. The radical is generated in a flow system where a Cl2-He mixture passes through a microwave discharge to dissociate the Cl2. An O3-O2 mixture from an ozone generator is injected into the system downstream of the microwave discharge where O3 combines with Cl to form ClO. By adjusting the gas flow rates to yield an excess of Cl atoms, all the ozone is combined. ClO concentration is measured with UV absorption at 2577 and 2772 A and a deuterium lamp as a continuous source. Total cell pressure is 5.5 torr. The diode laser spectrometer is calibrated with ammonia lines as a reference where possible. The frequency of vibration-rotation lines is expressed as a function of rotational quantum number, fundamental vibrational frequency, and the rotational constants of the upper and lower vibrational states.

  10. The rotational spectra, potential function, Born-Oppenheimer breakdown, and hyperfine structure of GeSe and GeTe

    Science.gov (United States)

    Giuliano, Barbara M.; Bizzocchi, Luca; Sanchez, Raquel; Villanueva, Pablo; Cortijo, Vanessa; Sanz, M. Eugenia; Grabow, Jens-Uwe

    2011-08-01

    The pure rotational spectra of 18 and 21 isotopic species of GeSe and GeTe have been measured in the frequency range 5-24 GHz using a Fabry-Pérot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by a combined dc discharge/laser ablation technique and stabilized in supersonic jets of Ne. Global multi-isotopologue analyses of the derived rotational data, together with literature high-resolution infrared data, produced very precise Dunham parameters, as well as rotational constant Born-Oppenheimer breakdown (BOB) coefficients (δ01) for Ge, Se, and Te. A direct fit of the same datasets to an appropriate radial Hamiltonian yielded analytic potential-energy functions and BOB radial functions for the X1Σ+ electronic state of both GeSe and GeTe. Additionally, the electric quadrupole and magnetic hyperfine interactions produced by the nuclei 73Ge, 77Se, and 125Te were observed, yielding much improved quadrupole coupling constants and first determinations of the spin-rotation parameters.

  11. Spectroscopic analysis of asymmetric top free radicals --Application to pure rotational spectra of NO2 in the ground vibronic state

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Several key problems involved in the analyses of spectra ofasymmetric top molecules, i.e., the effective Hamiltonian, the representation and basis vector, identification of energy levels, the selection rules, the relative intensity, and Zeeman tuning rate, were elucidated systematically. Introducing the high-order centrifugal distortion terms into the effective Hamiltonian, the precision for calculation has been improved substantially, which allows us to analyze the high-lying rotational transitions. A global analysis of all available spectra of 14N16O2 in the ground vibronic state has been made to obtain a set of molecular constants of 14N16O2 in the ground vibronic state which is the most precise and extensive so far. Using the improved parameters, some FIR LMR lines left unassigned hitherto have been identified successfully.

  12. Calculated Rotational and Vibrational g Factors of LiH X (1)Sigma(+) and Evaluation of Parameters in Radial Functions from Rotational and Vibration-Rotational Spectra

    DEFF Research Database (Denmark)

    Sauer, S. P. A.; Paidarová, I.; Oddershede, J.

    2011-01-01

    The vibrational g factor, that is, the nonadiabatic correction to the vibrational reduced mass, of LiH has been calculated for internuclear distances over a wide range. Based on multiconfigurational wave functions with a large complete active space and an extended set of gaussian type basis...... functions, these calculations yielded also the rotational g factor, the electric dipolar moment, and its gradient with internuclear distance for LiH in its electronic ground state X (1)Sigma(+). The vibrational g factor g(v) exhibits a pronounced minimum near internuclear distance R = 3.65 x 10(-10) m...... state A (1)Sigma(+). The irreducible contribution g(r)(irr)(R) to the rotational g factor increases monotonically over the calculated domain, whereas the irreducible contribution g(v)(irr)(R) to the vibrational g factor has a minimum at the same location as that of g(v) itself. From these calculated...

  13. Phase-resolved heat-flux measurements on the blade of a full-scale rotating turbine

    Science.gov (United States)

    Dunn, M. G.; Seymour, P. J.; Woodward, S. H.; George, W. K.; Chupp, R. E.

    1988-01-01

    This paper presents detailed phase-resolved heat-flux data obtained on the blade of a Teledyne 702 HP full-stage rotating turbine. A shock tube is used as a short-duration source of heated air, and platinum thin-film gages are used to obtain the heat-flux measurements. Results are presented along the midspan at several locations on the blade suction and pressure surfaces from the stagnation point to near the trailing edge. For these measurements, the turbine was operating at the design flow function and at 100 percent corrected speed. Results are presented for the design vane/blade spacing (0.19 Cs) and at a wide spacing (0.50 Cs). Data are also presented illustrating the phase-resolved blade heat-flux distribution with upstream cold gas injection from discrete holes on the vane surface. The results illustrate that several successive passages can be superimposed upon each other and that a heat-flux pattern can be determined within the passage.

  14. Fully-resolved simulation of particle rotation in a turbulent flow

    Science.gov (United States)

    Wang, Yayun; Sierakowski, Adam J.; Prosperetti, Andrea

    2016-11-01

    Some results on the statistics of particle rotation induced by hydrodynamic stresses in a weakly turbulent flow, with a Taylor Reynolds number of about 32, are presented. Two particle Reynolds numbers, 80 and 150, and two different particle moments of inertia, are considered.The particle center is held fixed so that the particle statistics can be compared with those of the fluid vorticity in the absence of the particle. It is found that the particle essentially responds only to vortex structures with a scale comparable to, or larger than, its diameter, thus acting as a low-pass filter for the incident turbulent vorticity. An analysis of the flatness of the PDF's of the angular acceleration and angular velocity shows that the former is mildly non-Gaussian, while the latter is very close to Gaussian. The numerical method used, Physalis, is particularly suited for this problem due to the high accuracy with which the couple is calculated. Supported by NSF Grant CBET 1335965.

  15. Nuclear size effects in rotational spectra: a tale with a twist

    DEFF Research Database (Denmark)

    Knecht, Stefan; Saue, Trond

    2012-01-01

    that for the chosen systems this induces errors on the order of 10%, which is not acceptable for high-precision work. On the other hand, the systematic nature of the error suggests that it can be handled by an atom-specific correction factor. Our calibration study reveals that relativistic effects increases......We report a 4-component relativistic benchmark study of the isotopic field shift in the rotational spectrum of three diatomic molecules: TlI, PbTe and PtSi. A central quantity in the theory is the derivative with respect to internuclear distance of an effective electron density associated...

  16. Spectroscopic analysis of asymmetric top free radicals --Application to pure rotational spectra of NO2 in the ground vibronic state

    Institute of Scientific and Technical Information of China (English)

    LIU; Yuyan

    2001-01-01

    [1]Sears, T. J., The calculation of the energy levels of an asymmetric top free radical in a magnetic field, Comput. Phys. Rep., 1984, 2: 1..[2]Davies, P. B., Liu, Y., Liu, Z., Far infrared LMR spectra of monobromomethyl radicals, Chem. Phys. Lett., 1993, 214: 305.[3]Nolte, J., Wagner, H. G., Sears, T. J. et al., The far-infrared laser magnetic resonance spectrum of CH2F, J. Mol. Spec-trosc., 1999, 195: 43.[4]Sears, T. J., ASYTOP--A program for detailed analysis of gas phase magnetic resonance spectra of asymmetric top molecules, Comput. Phys. Commun., 1984, 34: 123.[5]Papousek, D., Aliev, M. R., Molecular Vibrational Rotational Spectra, Prague: Academia, 1982, 72.[6]Matsushima, F., Nagase, H., Nakauchi, T. et al., Frequency measurement of pure rotational transitions of H2O, J. Mol. Spectrosc., 1999, 193: 217.[7]Bowater, I. C., Brown, J. M., Carrington, A., Microwave spectroscopy of nonlinear free radicals, Proc. R. Soc. Lond. A, 1973, 333: 265.[8]Castellano, S., Bothner-by, A. A., Analysis of NMR spectra by least squares, J. Chem. Phys., 1964, 41: 3863.[9]Bird, G. R., Microwave spectrum of NO2, J. Chem. Phys., 1956, 25: 1040.[10]Bird, G. R., Baird, J. C., Jache, A. W. et al., Microwave spectrum of NO2: fine structure and magnetic coupling, J. Chem. Phys., 1964, 40: 3378.[11]Lees, R. M., Curl, R. F., Baker, J. G., Millimeter-wavelength microwave spectrum of nitrogen dioxide, J. Chem. Phys., 1966, 45: 2037.[12]Baron, P. A., Godfrey, P. D., Harris, D. O., Microwave spectrum of NO2 at 70 GHz, J. Chem. Phys., 1974, 60: 3723.[13]Bowman, W. C., De Lucia, F. C., The millimeter and submillimeter spectrum of NO2, J. Chem. Phys., 1982, 77: 92.[14]Semmoud-Monnanteuil, N., Colmont, J. M., Perrin, A. et al., New measurements in the millimeter-wave spectrum of NO2, J. Mol. Spectrosc., 1989, 134: 176.[15]Baskakov, O. I., Moskienko, M. V., Dyubko, S. F., Submillimeter rotational spectrum of nitrogen dioxide, Opt

  17. Translational and rotational motions of albumin sensed by a non-covalent associated porphyrin under physiological and acidic conditions: a fluorescence correlation spectroscopy and time resolved anisotropy study.

    NARCIS (Netherlands)

    Andrade, S.M.; Costa, S.M.; Borst, J.W.; Hoek, van A.; Visser, A.J.W.G.

    2008-01-01

    The interaction between a free-base, anionic water-soluble porphyrin, TSPP, and the drug carrier protein, bovine serum albumin (BSA) has been studied by time-resolved fluorescence anisotropy (TRFA) and fluorescence correlation spectroscopy (FCS) at two different pH-values. Both rotational correlatio

  18. Further Indications of Jet Rotation in New Ultraviolet and Optical HST/STIS Spectra

    CERN Document Server

    Coffey, D; Ray, T P; Eislöffel, J; Woitas, J; Coffey, Deirdre; Bacciotti, Francesca; Ray, Thomas P.; Eisl\\"offel, Jochen; Woitas, Jens

    2007-01-01

    We present survey results which suggest rotation signatures at the base of T-Tauri jets. Observations were conducted with the Hubble Space Telescope Imaging Spectrograph at optical and near ultraviolet wavelengths (NUV). Results are presented for the approaching jet from DG Tau, CW Tau, HH 30 and the bipolar jet from TH 28. Systematic asymmetries in Doppler shift were detected across the jet, within 100 AU from the star. At optical wavelengths, radial velocity differences were typically 10 to 25 (+/-5) km/s, while differences in the NUV range were consistently lower at typically 10 (+/-5) km/s. Results are interpreted as possible rotation signatures. Importantly, there is agreement between the optical and NUV results for DG Tau. Under the assumption of steady magnetocentrifugal acceleration, the survey results lead to estimates for the distance of the jet footpoint from the star, and give values consistent with earlier studies. In the case of DG Tau, for example, we see that the higher velocity component appe...

  19. Determination of the absolute configuration of perylene quinone-derived mycotoxins by measurement and calculation of electronic circular dichroism spectra and specific rotations.

    Science.gov (United States)

    Podlech, Joachim; Fleck, Stefanie C; Metzler, Manfred; Bürck, Jochen; Ulrich, Anne S

    2014-09-01

    Altertoxins I-III, alterlosins I and II, alteichin (alterperylenol), stemphyltoxins I-IV, stemphyperylenol, stemphytriol, 7-epi-8-hydroxyaltertoxin I, and 6-epi-stemphytriol are mycotoxins derived from perylene quinone, for which the absolute configuration was not known. Electronic circular dichroism (ECD) spectra were calculated for these compounds and compared with measured spectra of altertoxins I-III, alteichin, and stemphyltoxin III and with reported Cotton effects. Specific rotations were calculated and compared with reported specific rotations. The absolute configuration of all the toxins, except for stemphyltoxin IV, could thus be determined. The validity of the assignment was high whenever reported ECD data were available for comparison, and the validity was lower when the assignment was based only on the comparison of calculated and reported specific rotations. ECD spectra are intrinsically different for toxins with a biphenyl substructure and for toxins derived from dihydroanthracene.

  20. Rotational spectra, potential function, Born Oppenheimer breakdown and magnetic shielding of SiSe and SiTe

    Science.gov (United States)

    Giuliano, Barbara M.; Bizzocchi, Luca; Grabow, Jens-Uwe

    2008-09-01

    The pure rotational spectra of 18 isotopic species of SiSe (8) and SiTe (10) have been measured in their X1Σ + electronic state with a pulsed-jet resonator Fourier transform microwave spectrometer. The molecules were prepared by a combined DC discharge/laser ablation technique and stabilised in a supersonic jet of Ar. Global multi-isotopologue analyses yielded spectroscopic Dunham parameters Y01, Y11, Y21, Y31 and Y02 for both species, as well as effective Born-Oppenheimer breakdown (BOB) coefficients δ01 for Si, Se and Te. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X1Σ + electronic state of both SiSe and SiTe. Additionally, the magnetic hyperfine interactions produced by the uneven mass number A nuclei 29Si, 77Se and 125Te were observed, yielding first determinations of the corresponding nuclear spin-rotation coupling constants.

  1. The rotational spectra, potential function, Born-Oppenheimer breakdown, and magnetic shielding of SnSe and SnTe.

    Science.gov (United States)

    Bizzocchi, Luca; Giuliano, Barbara M; Hess, Mareike; Grabow, Jens-Uwe

    2007-03-21

    The pure rotational spectra of 27 isotopic species of SnSe and SnTe have been measured in the frequency range of 5-24 GHz using a Fabry-Perot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by laser ablation of suitable target rods and were stabilized in supersonic jets of Ar. Global multi-isotopolog analyses of all available high-resolution data produced spectroscopic Dunham parameters Y01, Y11, Y21, Y31, Y02, and Y12 for both species, as well as Born-Oppenheimer breakdown (BOB) coefficients delta01 for Sn, Se, and Te. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X 1Sigma+ electronic state of both SnSe and SnTe. Additionally, the magnetic hyperfine interaction produced by the dipolar nuclei 119Sn, 117Sn, 77Se, and 125Te was observed, yielding first determinations of the corresponding spin-rotation coupling constants.

  2. The pure rotational spectra of the open-shell diatomic molecules PbI and SnI

    Energy Technology Data Exchange (ETDEWEB)

    Evans, Corey J., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk; Needham, Lisa-Maria E. [Department of Chemistry, University of Leicester, Leicester LE1 7RH (United Kingdom); Walker, Nicholas R., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk; Köckert, Hansjochen; Zaleski, Daniel P.; Stephens, Susanna L. [School of Chemistry, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

    2015-12-28

    Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X {sup 2}Π{sub 1/2} ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y{sub 01}, Y{sub 02}, Y{sub 11}, and Y{sub 21}, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.

  3. Rotationally resolved state-to-state photoionization and photoelectron study of titanium carbide and its cation (TiC/TiC{sup +})

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Zhihong; Huang, Huang; Chang, Yih-Chung; Zhang, Zheng; Ng, C. Y., E-mail: cyng@ucdavis.edu [Department of Chemistry, University of California, Davis, California 95616 (United States); Yin, Qing-Zhu [Department of Earth and Planetary Sciences, University of California, Davis, California 95616 (United States)

    2014-10-14

    Titanium carbide and its cation (TiC/TiC{sup +}) have been investigated by the two-color visible (VIS)-ultraviolet (UV) resonance-enhanced photoionization and pulsed field ionization-photoelectron (PFI-PE) methods. Two visible excitation bands for neutral TiC are observed at 16 446 and 16 930 cm{sup −1}. Based on rotational analyses, these bands are assigned as the respective TiC({sup 3}Π{sub 1}) ← TiC(X{sup 3}Σ{sup +}) and TiC({sup 3}Σ{sup +}) ← TiC(X{sup 3}Σ{sup +}) transition bands. This assignment supports that the electronic configuration and term symmetry for the neutral TiC ground state are …7σ{sup 2}8σ{sup 1}9σ{sup 1}3π{sup 4} (X{sup 3}Σ{sup +}). The rotational constant and the corresponding bond distance of TiC(X{sup 3}Σ{sup +}; v″ = 0) are determined to be B{sub 0}″ = 0.6112(10) cm{sup −1} and r{sub 0}″ = 1.695(2) Å, respectively. The rotational analyses of the VIS-UV-PFI-PE spectra for the TiC{sup +}(X; v{sup +} = 0 and 1) vibrational bands show that the electronic configuration and term symmetry for the ionic TiC{sup +} ground state are …7σ{sup 2}8σ{sup 1}3π{sup 4} (X{sup 2}Σ{sup +}) with the v{sup +} = 0 → 1 vibrational spacing of 870.0(8) cm{sup −1} and the rotational constants of B{sub e}{sup +} = 0.6322(28) cm{sup −1}, and α{sub e}{sup +} = 0.0085(28) cm{sup −1}. The latter rotational constants yield the equilibrium bond distance of r{sub e}{sup +} = 1.667(4) Å for TiC{sup +}(X{sup 2}Σ{sup +}). The cleanly rotationally resolved VIS-UV-PFI-PE spectra have also provided a highly precise value of 53 200.2(8) cm{sup −1} [6.5960(1) eV] for the adiabatic ionization energy (IE) of TiC. This IE(TiC) value along with the known IE(Ti) has made possible the determination of the difference between the 0 K bond dissociation energy (D{sub 0}) of TiC{sup +}(X{sup 2}Σ{sup +}) and that of TiC(X{sup 3}Σ{sup +}) to be D{sub 0}(Ti{sup +}−C) − D{sub 0}(Ti−C) = 0.2322(2) eV. Similar to previous experimental

  4. A study of internal rotations and vibrational spectra of oxiranemethanol ( glycidol)

    Science.gov (United States)

    Badawi, Hassan M.; Ali, Shaikh A.

    2009-10-01

    The conformational stability and the C-O and O-H internal rotations in oxiranemethanol were investigated at the DFT-B3LYP/6-311G**, MP2/6-311G** and MP4(SDQ)/6-311G** levels of theory. Three minima were predicted in the CCOH potential energy scans of the molecule to have relative energies of about 2 kcal/mol or less and all were calculated to have real frequencies upon full optimization of structural parameters at the DFT and the MP2 levels of calculations. The Cg1 ( H bond inner) conformation was predicted to be the lowest energy conformation for oxiranemethanol in excellent agreement with an earlier microwave study. The equilibrium mixture was calculated from Gibb's free-energy changes to be about 79% Cg1, 17 % G1g and 3% Gg1 at the B3LYP/6-311G** level and about 87% Cg1, 11 % G1g and 2% Gg1 at the MP2/6-311G** level for oxiranemethanol at 298.15 K. No conclusive evidence was obtained for the presence of high-energy form in the liquid phase of oxiranemethanol. The vibrational frequencies of oxiranemethanol in its three stable forms were computed at the B3LYP level and complete vibrational assignments were made for the lowest energy Cg1 form on basis of calculated and experimental data of the molecule.

  5. The Rossiter-McLaughlin effect reloaded: Probing the 3D spin-orbit geometry, differential stellar rotation, and the spatially-resolved stellar spectrum of star-planet systems

    Science.gov (United States)

    Cegla, H. M.; Lovis, C.; Bourrier, V.; Beeck, B.; Watson, C. A.; Pepe, F.

    2016-04-01

    When a planet transits its host star, it blocks regions of the stellar surface from view; this causes a distortion of the spectral lines and a change in the line-of-sight (LOS) velocities, known as the Rossiter-McLaughlin (RM) effect. Since the LOS velocities depend, in part, on the stellar rotation, the RM waveform is sensitive to the star-planet alignment (which provides information on the system's dynamical history). We present a new RM modelling technique that directly measures the spatially-resolved stellar spectrum behind the planet. This is done by scaling the continuum flux of the (HARPS) spectra by the transit light curve, and then subtracting the in- from the out-of-transit spectra to isolate the starlight behind the planet. This technique does not assume any shape for the intrinsic local profiles. In it, we also allow for differential stellar rotation and centre-to-limb variations in the convective blueshift. We apply this technique to HD 189733 and compare to 3D magnetohydrodynamic (MHD) simulations. We reject rigid body rotation with high confidence (>99% probability), which allows us to determine the occulted stellar latitudes and measure the stellar inclination. In turn, we determine both the sky-projected (λ ≈ -0.4 ± 0.2°) and true 3D obliquity (ψ ≈ 7+12-4°). We also find good agreement with the MHD simulations, with no significant centre-to-limb variations detectable in the local profiles. Hence, this technique provides a new powerful tool that can probe stellar photospheres, differential rotation, determine 3D obliquities, and remove sky-projection biases in planet migration theories. This technique can be implemented with existing instrumentation, but will become even more powerful with the next generation of high-precision radial velocity spectrographs.

  6. FT-IR reflection spectra of single crystals: resolving phonons of different symmetry without using polarised radiation

    OpenAIRE

    METODIJA NAJDOSKI; VLADIMIR IVANOVSKI; VLADIMIR M. PETRUSEVSKI

    2000-01-01

    Fourier-transform infrared (FT-IR) reflection spectra, asquired at nearnormal incidence, were recorded from single crystals belonging to six crystal systems: CsCr(SO4)2.12H2O (alum, cubic), K2CuCl2·2H2O (Mitscherlichite, tetragonal), CaCO3 (calcite, hexagonal), KHSO4 (mercallite, orthorhombic), CaSO4·2H2O (gypsum, monoclinic) and CuSO4·5H2O (chalcantite, triclinic). The acquired IR reflection spectra were further transformed into absorption spectra, employing the Kramers-Kronig transformation...

  7. The Rossiter-McLaughlin effect reloaded: Probing the 3D spin-orbit geometry, differential stellar rotation, and the spatially-resolved stellar spectrum of star-planet systems

    CERN Document Server

    Cegla, H M; Bourrier, V; Beeck, B; Watson, C A; Pepe, F

    2016-01-01

    When a planet transits its host star, it blocks regions of the stellar surface from view; this causes a distortion of the spectral lines and a change in the line-of-sight (LOS) velocities, known as the Rossiter-McLaughlin (RM) effect. Since the LOS velocities depend, in part, on the stellar rotation, the RM waveform is sensitive to the star-planet alignment (which provides information on the system's dynamical history). We present a new RM modelling technique that directly measures the spatially-resolved stellar spectrum behind the planet. This is done by scaling the continuum flux of the (HARPS) spectra by the transit light curve, and then subtracting the in- from the out-of-transit spectra to isolate the starlight behind the planet. This technique does not assume any shape for the intrinsic local profiles. In it, we also allow for differential stellar rotation and centre-to-limb variations in the convective blueshift. We apply this technique to HD189733 and compare to 3D magnetohydrodynamic (MHD) simulation...

  8. The hyperfine structure in the rotational spectra of D{sub 2}{sup 17}O and HD{sup 17}O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Puzzarini, Cristina, E-mail: cristina.puzzarini@unibo.it; Cazzoli, Gabriele [Dipartimento di Chimica “Giacomo Ciamician,” Università degli Studi di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Harding, Michael E. [Institut für Nanotechnologie, Karlsruher Institut für Technologie (KIT), Campus Nord, Postfach 3640, D-76021 Karlsruhe (Germany); Center for Theoretical Chemistry, Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712 (United States); Vázquez, Juana [Center for Theoretical Chemistry, Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, Texas 78712 (United States); Gauss, Jürgen, E-mail: gauss@uni-mainz.de [Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz (Germany)

    2015-03-28

    Guided by theoretical predictions, the hyperfine structures of the rotational spectra of mono- and bideuterated-water containing {sup 17}O have been experimentally investigated. To reach sub-Doppler resolution, required to resolve the hyperfine structure due to deuterium quadrupole coupling as well as to spin-rotation (SR) and dipolar spin-spin couplings, the Lamb-dip technique has been employed. The experimental investigation and in particular, the spectral analysis have been supported by high-level quantum-chemical computations employing coupled-cluster techniques and, for the first time, a complete experimental determination of the hyperfine parameters involved was possible. The experimentally determined {sup 17}O spin-rotation constants of D{sub 2}{sup 17}O and HD{sup 17}O were used to derive the paramagnetic part of the corresponding nuclear magnetic shielding constants. Together with the computed diamagnetic contributions as well as the vibrational and temperature corrections, the latter constants have been employed to confirm the oxygen nuclear magnetic shielding scale, recently established on the basis of spin-rotation data for H{sub 2}{sup 17}O [Puzzarini et al., J. Chem. Phys. 131, 234304 (2009)].

  9. Analysis of the Rotationally Resolved, Non-Degenerate (a''_1) and Degenerate (e') Vibronic Bands in the tilde{A}^2E'' ← tilde{X}^2A'_2 Transition of NO_3.

    Science.gov (United States)

    Tran, Henry; Miller, Terry A.

    2016-06-01

    The magnitude of the Jahn-Teller (JT) effect in NO_3 has been the subject of considerable research in our group and other groups around the world. The rotational contour of the 4^1_0 vibronic band was first described by Hirota and coworkers using an oblate symmetric top. Near-infrared band of the nitrate radical NO_3 observed by diode laser spectroscopy. J. Chem. Phys., 107:2829, 1997.} Deev et al. argued that an asymmetric top was required to describe the 2^1_0 band, although their spectrum was not completely rotationally resolved. These discrepancies suggest that a rotational analysis will provide considerable experimental information on the geometry of NO_3. Our group has collected high-resolution, rotationally resolved spectra of the vibronic tilde{A}^2E'' ← tilde{X}^2A'_2 transitions. We have completed analysis of the 3^1_0 and 3^1_04^1_0 parallel bands with a_1'' symmetry by using an oblate symmetric top with spin-rotation and centrifugal distortions. Several other parallel bands are now also reasonably understood. This analysis is consistent with a D3h geometry for NO_3. In order to analyze the perpendicular bands with e' symmetry, we have adapted the oblate symmetric top Hamiltonian from the previous analysis to include spin-orbit coupling, coriolis coupling, and Watson Terms (JT distortions) that allow the oblate symmetric top Hamiltonian to transition continuously to the distorted limit of C2v symmetry. Preliminary analysis of the 2^1_0 and 2^1_04^2_0 bands has shown generally good agreement between model and experimental spectra. Our results indicate only modest JT distortions, although we do find evidence of multiple perturbations between these bands and high vibrational levels of the tilde{X} state. We will present our adapted Hamiltonian and the analysis of the 3^1_0, 3^1_04^1_0, 2^1_0, and 2^1_04^2_0 bands. E. Hirota, T. Ishiwata, K. Kawaguchi, M. Fujitake, N. Ohashi, and I. Tanaka. Near-infrared band of the nitrate radical NO_3 observed by diode

  10. HST spatially-resolved spectra of the accretion disc and gas stream of the nova-like variable UX Ursae Majoris

    CERN Document Server

    Baptista, R; Wade, R A; Hubeny, I; Long, K S; Rutten, R G M

    1998-01-01

    Time-resolved eclipse spectroscopy of the nova-like variable UX UMa obtained with the HST/FOS on 1994 August and November is analyzed with eclipse mapping techniques to produce spatially resolved spectra of its accretion disc and gas stream as a function of distance from disc centre. The inner accretion disc is characterized by a blue continuum filled with absorption bands and lines which cross over to emission with increasing disc radius, similar to that reported by Rutten et al (1994) at optical wavelengths. The comparison of spatially resolved spectra at different azimuths reveals a significant asymmetry in the disc emission at UV wavelengths, with the disc side closest to the secondary star showing pronounced absorption by an `iron curtain' and a Balmer jump in absorption. These results suggest the existence of an absorbing ring of cold gas whose density and/or vertical scale increase with disc radius. The spectrum of the infalling gas stream is noticeably different from the disc spectrum at the same radi...

  11. Spatially resolved measurements and diagnostics of digitally controlled rotating field pulsed plasma operated in helium at 20 kHz

    Science.gov (United States)

    Giersz, Jacek; Jankowski, Krzysztof; Reszke, Edward

    2017-04-01

    Using optical emission spectrometry, fundamental properties are investigated of a stable, planar atmospheric pressure micro discharge, several dozen microliters in volume, driven by a digitally controlled 20 kHz rotating microsecond pulsed power. The discharge is generated by rectangular wave pulses using helium as the working gas. At a low cost, the digitally controlled plasma source produces a highly symmetrical, non-stationary helium discharge maintained in open air within 5 electrodes positioned in the plane toward the center. It has been shown that the geometrical shapes of the momentary discharges, which occur between the electrodes, are not arc-like shaped, but rather have a diffusive character and the resulting plasma can become doughnut-like in shape. Rotational and vibrational temperatures from OH and N2 bands, excitation temperatures from He lines and ionization temperatures from Ca lines, as well as electron number densities from Hβ Stark broadening have been estimated along the plasma diameter using axial viewing. The results demonstrated that Texc (He) reaches stable value of 3800 K for selected plasma generation conditions (one anode and two cathodes commutation mode, cathode pulse width 8 microseconds, supplied power 200 W, helium gas flow 1 L·min- 1), while the Trot (OH) is considerably lower (1700 K). The electron number density has been evaluated to be (1.7-3.3) × 1014 cm- 3 and both Tion (Ca) and Tvib (N2) varied, throughout in the 4500-5100 K and 4000-4800 K ranges respectively, reaching its peak value near 2 mm off the plasma axis. Spatial measurements revealed symmetrical distribution of the plasma parameters, while the measurements of calcium and nitrogen ionic emission confirmed symmetrical doughnut shape of the discharge. Moreover, the processes running inside the discharge and their interaction with the surrounding atmosphere have been described in accordance to the recorded spectra. Spectroscopic observation has shown the existence of

  12. Twisted intramolecular charge transfer states : rotationally resolved fluorescence excitation spectra of 4,4 '-dimethylaminobenzonitrile in a molecular beam

    NARCIS (Netherlands)

    Nikolaev, A.E.; Myszkiewicz, G.; Berden, G.; Meerts, W.L.; Pfanstiel, J.F.; Pratt, D.W.

    2005-01-01

    We report the observation at high resolution of seven vibronic bands that appear within similar to200 cm(-1) of the electronic origin in the S-1-S-0 fluorescence excitation spectrum of 4,4(')-dimethylaminobenzonitrile (DMABN) in a molecular beam. Surprisingly, each band is found to be split into two

  13. DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules

    Science.gov (United States)

    Tennyson, Jonathan; Kostin, Maxim A.; Barletta, Paolo; Harris, Gregory J.; Polyansky, Oleg L.; Ramanlal, Jayesh; Zobov, Nikolai F.

    2004-11-01

    The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy and, where necessary, dipole surfaces must be provided. Expectation values of geometrically defined functions can be calculated, a feature which is particularly useful for fitting potential energy surfaces. The programs use an exact (within the Born-Oppenheimer approximation) Hamiltonian and offer a choice of Jacobi or Radau internal coordinates and several body-fixed axes. Rotationally excited states are treated using an efficient two-step algorithm. The programs uses a Discrete Variable Representation (DVR) based on Gauss-Jacobi and Gauss-Laguerre quadrature for all 3 internal coordinates and thus yields a fully point-wise representation of the wavefunctions. The vibrational step uses successive diagonalisation and truncation which is implemented for a number of possible coordinate orderings. The rotational, expectation value and transition dipole programs exploit the savings offered by performing integrals on a DVR grid. The new version has been rewritten in FORTRAN 90 to exploit the dynamic array allocations and the algorithm for dipole and spectra calculations have been substantially improved. New modules allow the z-axis to be embedded perpendicular to the plane of the molecule and for the calculation of expectation values. Program summaryTitle of the program: DVR3D suite Catalogue number: ADTI Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADTI Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Programming language: Fortran 90 No. of lines in distributed program, including test data, etc.: 61 574 No. of bytes in distributed program, including test data, etc.: 972 404 Distribution format: tar.gz New version summaryTitle of program: DVR3DRJZ Catalogue number: ADTB Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADTB Program obtainable

  14. Rotating Shadowband Spectroradiometer (RSS) Handbook

    Energy Technology Data Exchange (ETDEWEB)

    Kiedron, P; Schlemmer, J; Klassen, M

    2005-01-01

    The rotating shawdowband spectroradiometer (RSS) implements the same automated shadowbanding technique used by the multifilter rotating shadowband radiometer (MFRSR), and so it too provides spectrally-resolved, direct-normal, diffuse-horizontal, and total-horizontal irradiances, and can be calibrated in situ via Langley regression. The irradiance spectra are measured simultaneously at all spectral elements (pixels) in 360-nm to 1050-nm range.

  15. Potential energy surfaces of short polyenes in the state T1 : analysis of time resolved resonance Raman spectra

    NARCIS (Netherlands)

    Orlandi, G.; Negri, F.; Wilbrandt, R.; Langkilde, F.W.; Brouwer, A.M.

    1993-01-01

    The analysis of T1 resonance Raman spectra of some conjugated compounds is discussed making use of semiempirical quantum chemical calculations. Information obtained about T1 potential energy curve indicates that in short polyenes the perpendicular form is roughly degenerate with the trans isomer. Pr

  16. A comparative study of ICH validated novel spectrophotometric techniques for resolving completely overlapping spectra of quaternary mixtures

    Science.gov (United States)

    Ali, Nouruddin W.; Abdelwahab, Nada S.; Abdelkawy, M.; Emam, Aml A.

    2016-02-01

    A pharmaceutically marketed mixture of Yohimbine, Alpha-tocopheryl acetate, Niacin, and Caffeine co-formulated as a promising therapy for erectile dysfunction. Simultaneous determination of the aforementioned pharmaceutical formulation without prior separation steps was applied using mean centering of ratio spectra and triple divisor spectrophotometric methods. Mean centering of ratio spectra method depended on using the mean centered ratio spectra in three successive steps which eliminated the derivative steps and so the signal to noise ratio was improved. The absorption spectra of the prepared solutions were measured in the wavelength range of 215-300 nm in the concentration ranges of 1-15, 3-15, 1-20, and 3-15 μg mL- 1 for Yohimbine, Alpha-tocopheryl acetate, Niacin, and Caffeine, respectively. The amplitudes of the mean centered third ratio spectra were measured at 250 nm and 268 nm for Yohimbine and Alpha-tocopheryl acetate, respectively and at peak to peak 272-273 and 262-263 nm for Niacin and Caffeine, respectively. In triple divisor method each drug in the quaternary mixture was determined by dividing the spectrum of the quaternary mixture by a standard spectrum of a mixture containing equal concentrations of the other three drugs. First derivative of these ratio spectra was obtained where determination could be achieved without any interference from the other three drugs. Amplitudes of 1-15, 3-15, 1-15, and 3-15 μg mL- 1 were used for selective determination of Yohimbine, Alpha-tocopheryl acetate, Niacin, and Caffeine, respectively. Laboratory prepared mixtures were analyzed by the developed novel methods to investigate their selectivity also, Super Act® capsules were successfully analyzed to ensure absence of interference from additives. The developed methods were validated according to the ICH guidelines. The proposed methods were statistically compared with each other and with the reported methods; using student t-test, F-test, and one way ANOVA

  17. New fine structures resolved at the ELNES Ti-L{sub 2,3} edge spectra of anatase and rutile: Comparison between experiment and calculation

    Energy Technology Data Exchange (ETDEWEB)

    Cheynet, M., E-mail: marie.cheynet@simap.grenoble-inp.fr [SIMAP-PHELMA-CNRS, BP 75, 38402 Saint-Martin-d' Heres (France); Pokrant, S. [Carl Zeiss NTS GmbH, 73447 Oberkochen (Germany); Irsen, S. [TEM Group, Forschungszentrum Caesar, 53175 Bonn (Germany); Krueger, P. [ICB, UMR 5209 Universite de Bourgogne-CNRS, BP 47870, 21078 Dijon (France)

    2010-07-15

    Anatase and rutile Ti-L{sub 2,3} edge spectra were measured in electron energy loss spectroscopy (EELS) using a transmission electron microscope (TEM) coupled to a CEOS Cs-probe corrector, an omega-type monochromator and an in-column omega-type energy filter fully corrected for 2nd order aberrations. Thanks to the high energy resolution, high electron probe current and high stability achieved under this instrumental configuration, new fine structures, never reported before, were resolved at the L{sub 3} band of both rutile and anatase. The data suggest that new peaks also exist in the L{sub 2} e{sub g} band. The experimental spectra are compared with multichannel multiple scattering (MMS) calculations. Good agreement is found for number, energy position and intensity of the newly resolved spectral features. Up to now, the L{sub 3} e{sub g} band splitting could not be well described by theory not even through the crystal field multiplet approach. We show that the L{sub 3} e{sub g} band splitting is due to long range band structure effects, contrary to the usual interpretations in terms of local ligand field or near-neighbour hybridization effects.

  18. A scintillator-based online detector for the angularly resolved measurement of laser-accelerated proton spectra

    Energy Technology Data Exchange (ETDEWEB)

    Metzkes, J.; Kraft, S. D.; Sobiella, M.; Stiller, N.; Zeil, K.; Schramm, U. [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstr. 400, 01328 Dresden (Germany); Karsch, L.; Schuerer, M. [OncoRay - National Center for Radiation Research in Oncology, TU Dresden, Fetscherstr. 74, 01307 Dresden (Germany); Pawelke, J.; Richter, C. [Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstr. 400, 01328 Dresden (Germany); OncoRay - National Center for Radiation Research in Oncology, TU Dresden, Fetscherstr. 74, 01307 Dresden (Germany)

    2012-12-15

    In recent years, a new generation of high repetition rate ({approx}10 Hz), high power ({approx}100 TW) laser systems has stimulated intense research on laser-driven sources for fast protons. Considering experimental instrumentation, this development requires online diagnostics for protons to be added to the established offline detection tools such as solid state track detectors or radiochromic films. In this article, we present the design and characterization of a scintillator-based online detector that gives access to the angularly resolved proton distribution along one spatial dimension and resolves 10 different proton energy ranges. Conceived as an online detector for key parameters in laser-proton acceleration, such as the maximum proton energy and the angular distribution, the detector features a spatial resolution of {approx}1.3 mm and a spectral resolution better than 1.5 MeV for a maximum proton energy above 12 MeV in the current design. Regarding its areas of application, we consider the detector a useful complement to radiochromic films and Thomson parabola spectrometers, capable to give immediate feedback on the experimental performance. The detector was characterized at an electrostatic Van de Graaff tandetron accelerator and tested in a laser-proton acceleration experiment, proving its suitability as a diagnostic device for laser-accelerated protons.

  19. Modeling the Internal Kinematics (Rotation and Dispersion) of Distant Galaxies (z ~ 1.0) Using Multi-PA Keck DEIMOS Slit Spectra

    Science.gov (United States)

    Miao, Connie; Chen, Jerry; Torres Hernandez, Jose; Guhathakurta, Puragra; Jang, Hyerin

    2017-01-01

    The stark difference between the chaotic internal motion of distant galaxies and the ordered rotation of typical local spiral galaxies suggests that disordered galaxies at high redshifts (i.e., early times in the Universe's history) gradually settle into well ordered disk morphologies with ordered rotation. We have used slit spectra obtained with Keck DEIMOS at four different position angles for 133 distant objects (z ~ 1.0) in the GOODS-N field. The emission lines in the 2D spectra of the galaxies were used to calculate the redshift/velocity at each spatial location. For each slit row, the distribution of flux over velocity was modeled as a Gaussian curve from which we obtained the radial velocity and spread of radial velocity. Rotation curves and velocity dispersions for each galaxy at each slit angle were plotted at these values. We qualitatively classified galaxies as regularly rotating, merging, face-on, or unable to be determined by examining overlays of the rotation curves from the four slit angles. We found that regular rotating galaxies tended to have peak velocity dispersion at the center while mergers had fairly constant velocity dispersions. Face-on galaxies had chaotic and inconsistent velocity dispersions between different slit angles. Regularly rotation galaxies represented 45% of our sample and mergers represented 27%. The relative percentage of galaxies that were either regularly rotating or mergers roughly matched those of the literature. This research was supported by NASA and the National Science Foundation. Most of this work was carried out by high school students working under the auspices of the Science Internship Program at UC Santa Cruz.

  20. Ultra-sensitive and super-resolving angular rotation measurement based on photon orbital angular momentum using parity measurement.

    Science.gov (United States)

    Zhang, Zijing; Qiao, Tianyuan; Ma, Kun; Cen, Longzhu; Zhang, Jiandong; Wang, Feng; Zhao, Yuan

    2016-08-15

    Photon orbital angular momentum has led to many novel insights and applications in quantum measurement. Photon orbital angular momentum can increase the resolution and sensitivity of angular rotation measurement. However, quantum measurement strategy can further surpass this limit and improve the resolution of angular rotation measurement. This Letter proposes and demonstrates a parity measurement method in angular rotation measurement scheme for the first time. Parity measurement can make the resolution superior to the limit of the existing method. The sensitivity can be improved with higher orbital angular momentum photons. Moreover, this Letter gives a detailed discussion of the change of resolution and sensitivity in the presence of photon loss.

  1. Analogy between rotation and density for Dirac fermions in a magnetic field

    CERN Document Server

    Chen, Hao-Lei; Huang, Xu-Guang; Mameda, Kazuya

    2015-01-01

    We analyse the energy spectra of Dirac fermions in the presence of rotation and magnetic field. We find that the Landau degeneracy is resolved by rotation. A drastic change in the energy dispersion relation leads to the "rotational magnetic inhibition" that is a novel phenomenon analogous to the inverse magnetic catalysis in a magnetic system at finite chemical potential.

  2. Stratospheric and mesospheric pressure-temperature profiles from rotational analysis of CO2 lines in atmospheric trace molecule spectroscopy/ATLAS 1 infrared solar occultation spectra

    Science.gov (United States)

    Stiller, G. P.; Gunson, M. R.; Lowes, L. L.; Abrams, M. C.; Raper, O. F.; Farmer, C. B.; Zander, R.; Rinsland, C. P.

    1995-01-01

    A simple, classical, and expedient method for the retrieval of atmospheric pressure-temperature profiles has been applied to the high-resolution infrared solar absorption spectra obtained with the atmospheric trace molecule spectroscopy (ATMOS) instrument. The basis for this method is a rotational analysis of retrieved apparent abundances from CO2 rovibrational absorption lines, employing existing constituent concentration retrieval software used in the analysis of data returned by ATMOS. Pressure-temperature profiles derived from spectra acquired during the ATLAS 1 space shuttle mission of March-April 1992 are quantitatively evaluated and compared with climatological and meteorological data as a means of assessing the validity of this approach.

  3. Using Bulk Magnetic Susceptibility to Resolve Internal and External Signals in the NMR Spectra of Plant Tissues

    Science.gov (United States)

    Shachar-Hill, Yair; Befroy, Douglas E.; Pfeffer, Philip E.; Ratcliffe, R. George

    1997-07-01

    Internal and external NMR signals from a variety of plant cells and plant tissues can be resolved by changing the bulk magnetic susceptibility (BMS) of the perfusing medium with [Gd (EDTA)]-or Dy(DTPA-BMA). This separation is observed in samples consisting of cylindrical cells oriented along theB0field, and is consistent with established theoretical predictions about BMS effects. Evidence is presented that the shifted signals represent material outside the tissue as well as some contribution from intercellular spaces and cell walls, while intracellular signals are unshifted. The paramagnetic complexes used to separate the signals are shown to be nontoxic and to have no effect on a number of transport processes. The method has been applied to roots, shoots, and giant algal cells, facilitating the interpretation of thein vivospectra from a range of biologically important magnetic isotopes. The potential of the method for studies of transport is illustrated with experiments showing: (i)14N/15N isotopic exchange of nitrate in roots; (ii) the influx of HDO into root and shoot segments; and (iii) the use of saturation transfer to follow water movement into and out of plant cells.

  4. TIME-RESOLVED PROPERTIES AND GLOBAL TRENDS IN dMe FLARES FROM SIMULTANEOUS PHOTOMETRY AND SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Adam F.; Hawley, Suzanne L.; Davenport, James R. A. [Astronomy Department, University of Washington, Box 351580, U.W. Seattle, WA 98195-1580 (United States); Wisniewski, John P. [HL Dodge Department of Physics and Astronomy, University of Oklahoma, 440 W Brooks Street, Norman, OK 73019 (United States); Osten, Rachel A. [Space Telescope Science Institute, 3700 San Martin Drive Baltimore, MD 21218 (United States); Hilton, Eric J. [Universe Sandbox, Seattle, WA (United States); Holtzman, Jon A. [Department of Astronomy, New Mexico State University, Box 30001, Las Cruces, NM 88003 (United States); Schmidt, Sarah J., E-mail: adam.f.kowalski@nasa.gov [Department of Astronomy, Ohio State University, 140 West 18th Avenue, Columbus, OH 43210 (United States)

    2013-07-15

    We present a homogeneous analysis of line and continuum emission from simultaneous high-cadence spectra and photometry covering near-ultraviolet and optical wavelengths for 20 M dwarf flares. These data were obtained to study the white-light continuum components at bluer and redder wavelengths than the Balmer jump. Our goals were to break the degeneracy between emission mechanisms that have been fit to broadband colors of flares and to provide constraints for radiative-hydrodynamic (RHD) flare models that seek to reproduce the white-light flare emission. The main results from the analysis are the following: (1) the detection of Balmer continuum (in emission) that is present during all flares and with a wide range of relative contributions to the continuum flux at bluer wavelengths than the Balmer jump; (2) a blue continuum at flare maximum that is linearly decreasing with wavelength from {lambda} = 4000-4800 A, indicative of hot, blackbody emission with typical temperatures of T{sub BB} {approx} 9000-14, 000 K; (3) a redder continuum apparent at wavelengths longer than H{beta} ({lambda} {approx}> 4900 A) which becomes relatively more important to the energy budget during the late gradual phase. The hot blackbody component and redder continuum component have been detected in previous studies of flares. However, we have found that although the hot blackbody emission component is relatively well-represented by a featureless, single-temperature Planck function, this component includes absorption features and has a continuum shape strikingly similar to the spectrum of an A-type star as directly observed in our flare spectra. New model constraints are presented for the time evolution among the hydrogen Balmer lines and between Ca II K and the blackbody continuum emission. We calculate Balmer jump flux ratios and compare to the solar-type flare heating predictions from RHD models. The model ratios are too large and the blue-optical ({lambda} = 4000-4800 A) slopes are too

  5. Spatially Resolved Spectra from a new X-ray Imaging Crystal Spectrometer for Measurements of Ion and Electron Temperature Profiles

    Energy Technology Data Exchange (ETDEWEB)

    Bitter, M; Stratton, B; Roquemore, A; Mastrovito, D; Lee, S; Bak, J; Moon, M; Nam, U; Smith, G; Rice, J; Beiersdorfer, P; Fraenkel, B

    2004-08-10

    A new type of high-resolution X-ray imaging crystal spectrometer is being developed to measure ion and electron temperature profiles in tokamak plasmas. The instrument is particularly valuable for diagnosing plasmas with purely Ohmic heating and rf heating, since it does not require the injection of a neutral beam - although it can also be used for the diagnosis of neutral-beam heated plasmas. The spectrometer consists of a spherically bent quartz crystal and a two-dimensional position-sensitive detector. It records spectra of helium-like argon (or krypton) from multiple sightlines through the plasma and projects a de-magnified image of a large plasma cross-section onto the detector. The spatial resolution in the plasma is solely determined by the height of the crystal, its radius of curvature, and the Bragg angle. This new X-ray imaging crystal spectrometer may also be of interest for the diagnosis of ion temperature profiles in future large tokamaks, such as KSTAR and ITER, where the application of the presently used charge-exchange spectroscopy will be difficult, if the neutral beams do not penetrate to the plasma center. The paper presents the results from proof-of-principle experiments performed with a prototype instrument at Alcator C-Mod.

  6. Time-Resolved Properties and Global Trends in dMe Flares from Simultaneous Photometry and Spectra

    CERN Document Server

    Kowalski, Adam F; Wisniewski, John P; Osten, Rachel A; Hilton, Eric J; Holtzman, Jon A; Schmidt, Sarah J; Davenport, James R A

    2013-01-01

    We present a homogeneous survey of line and continuum emission from near-ultraviolet (NUV) to optical wavelengths during twenty M dwarf flares with simultaneous, high cadence photometry and spectra. These data were obtained to study the white-light continuum components at bluer and redder wavelengths than the Balmer jump. Our goals were to break the degeneracy between emission mechanisms that have been fit to broadband colors of flares and to provide constraints for radiative-hydrodynamic (RHD) flare models that seek to reproduce the white-light flare emission. The main results from the continuum analysis are the following: 1) the detection of Balmer continuum (in emission) that is present during all flares and with a wide range of relative contributions to the continuum flux at bluer wavelengths than the Balmer jump; 2) a blue continuum at flare maximum that is linearly decreasing with wavelength from \\lambda = 4000-4800\\AA, matched by the spectral shape of hot, blackbody emission with typical temperatures o...

  7. Evidence of a significant rotational non-LTE effect in the CO2 4.3 µm PFS-MEX limb spectra

    Science.gov (United States)

    Kutepov, Alexander A.; Rezac, Ladislav; Feofilov, Artem G.

    2017-01-01

    Since January 2004, the planetary Fourier spectrometer (PFS) on board the Mars Express satellite has been recording near-infrared limb spectra of high quality up to the tangent altitudes ≈ 150 km, with potential information on density and thermal structure of the upper Martian atmosphere. We present first results of our modeling of the PFS short wavelength channel (SWC) daytime limb spectra for the altitude region above 90 km. We applied a ro-vibrational non-LTE model based on the stellar astrophysics technique of accelerated lambda iteration (ALI) to solve the multi-species and multi-level CO2 problem in the Martian atmosphere. We show that the long-standing discrepancy between observed and calculated spectra in the cores and wings of 4.3 µm region is explained by the non-thermal rotational distribution of molecules in the upper vibrational states 10011 and 10012 of the CO2 main isotope second hot (SH) bands above 90 km altitude. The redistribution of SH band intensities from band branch cores into their wings is caused (a) by intensive production of the CO2 molecules in rotational states with j > 30 due to the absorption of solar radiation in optically thin wings of 2.7 µm bands and (b) by a short radiative lifetime of excited molecules, which is insufficient at altitudes above 90 km for collisions to maintain rotation of excited molecules thermalized. Implications for developing operational algorithms for massive processing of PFS and other instrument limb observations are discussed.

  8. Multiple Component Analysis of Time Resolved Spectra of GRB041006: A Clue to the Nature of Underlying Soft Component of GRBs

    CERN Document Server

    Shirasaki, Yuji; Kawai, Nobuyuki; Tamagawa, Toru; Sakamoto, Takanori; Suzuki, Motoko; Nakagawam, Yujin; Kobayashi, Akina; Sugita, Satoshi; Takahashi, Ichiro; Arimoto, Makoto; Shimokawabe, Takashi; Pazmino, Nicolas Vasquez; Ishimura, Takuto; Sato, Rie; Matsuoka, Masaru; Fenimore, Edward E; Galassi, Mark; Lamb, Donald Q; Graziani, Carlo; Donaghy, Timothy Q; Atteia, Jean-Luc; Pelangeon, Alexandre; Vanderspek, Roland; Crew, Geoffrey B; Doty, John P; Villasenor, Joel; Prigozhin, Gregory; Butler, Nat; Ricker, George R; Hurley, Kevin; Woosley, Stanford E; Pizzichini, Graziella

    2008-01-01

    GRB 041006 was detected by HETE-2 at 12:18:08 UT on 06 October 2004. This GRB displays a soft X-ray emission, a precursor before the onset of the main event, and also a soft X-ray tail after the end of the main peak. The light curves in four different energy bands display different features; At higher energy bands several peaks are seen in the light curve, while at lower energy bands a single broader bump dominates. It is expected that these different features are the result of a mixture of several components each of which has different energetics and variability. To reveal the nature of each component, we analysed the time resolved spectra and they are successfully resolved into several components. We also found that these components can be classified into two distinct classes; One is a component which has an exponential decay of $E_{p}$ with a characteristic timescale shorter than $\\sim$ 30 sec, and its spectrum is well represented by a broken power law function, which is frequently observed in many prompt ...

  9. Reconstruction of 3D flow structures in a cylindrical cavity with a rotating lid using time-resolved stereo PIV

    DEFF Research Database (Denmark)

    Meyer, Knud Erik; Sørensen, Jens Nørkær; Naumov, Igor

    2009-01-01

    Time-resolved Particle Image Velocimetry (PIV) measurements in two perpendicular planes are used to reconstruct a flow in an axisymmetric facility in both time and space. The reconstruction is based on Proper Orthogonal Decomposition (POD) and is used to distinguish between spatial and temporal...

  10. Vibrationally resolved ¹Lb (¹A')↔S0 (¹A') electronic spectra of benzimidazole and indene: Influence of Duschinsky and Herzberg-Teller effects on weak dipole-allowed transitions.

    Science.gov (United States)

    Yang, Pan; Pang, Min; Li, Ming; Shen, Wei; He, Rongxing

    2015-12-05

    Geometrical optimizations of the ground and first excited states of benzimidazole and indene were performed using the density functional theory (DFT) and its time-dependent extension methods (TD-DFT), respectively. Their vibrationally resolved (1)Lb ((1)A')↔S0 ((1)A') absorption and fluorescence spectra were simulated within the Franck-Condon approximation including the Herzberg-Teller (HT) and Duschinsky effects. Calculated results revealed that, with the HT and Duschinsky effects getting involved, the simulated weak (1)Lb ((1)A')↔S0 ((1)A') electronic spectra of the two molecules excellently reproduce the experimental findings. Based on the experimental data and other theoretical results, we tentatively assigned most of the vibrational normal modes which emerged in the experimental spectra of the two molecules. The present theoretical insights are expected to help us understand the nature of electronic transitions in the vibrationally resolved absorption and fluorescence spectra of benzimidazole and its analogues.

  11. Submillimeter-wave rotational spectra of DNC in highly excited vibrational states observed in an extended negative glow discharge

    Science.gov (United States)

    Amano, T.

    2011-05-01

    Rotational transitions of DNC have been observed in the submillimeter-wave region in an extended negative glow discharge in a gas mixture of CD 4 and N 2. The dissociative recombination reaction of DCND + with electrons is thought to be a dominant channel to produce DNC in highly excited vibrational states. The vibrational temperature for the ν3 vibrational mode is found to be about 4000 K, and the rotational lines in levels up to (0 0 8) are observed. The rotational and centrifugal distortion constants are determined for these states along with those for the (1 0 0) state. The measurement accuracy is high enough to determine some higher order vibration-rotation interaction constants.

  12. Effects of symmetry on circular and linear magnetic dichroism in angle-resolved photoemission spectra of Gd/Y (0001) and Fe-Ni//Cu (001)

    Energy Technology Data Exchange (ETDEWEB)

    Goodman, K.W.; Tobin, J.G.; Schumann, F.O. [Pennsylvania State Univ., University Park, PA (United States); Willis, R.F. [Pennsylvania State Univ., University Park, PA (United States); Gammon, J.W. [Virginia Commonwealth Univ., Richmond, VA (United States); Pappas, D.P. [Virginia Commonwealth Univ., Richmond, VA (United States); Kortright, J.B. [Lawrence Berkeley National Lab., CA (United States); Denlinger, J.D. [Lawrence Berkeley National Lab., CA (United States); Rotenberg, E. [Lawrence Berkeley National Lab., CA (United States); Warwick, A. [Lawrence Berkeley National Lab., CA (United States); Smith, N.V. [Lawrence Berkeley National Lab., CA (United States)

    1997-03-26

    We have observed circular and linear magnetic dichroism in angle- resolved photoemission spectra of 50-monolayer Gd film grown on Y(0001) and 6-monolayer Fe-Ni alloy films grown on Cu(001). The 4f level of Gd and the Fe 3p level of the Fe-Ni alloy were measured. A different geometry was used for the magnetic circular dichroism than was used to measure the magnetic linear dichroism. The geometries were chosen so that the shape of the magnetic circular dichroism is predicted to be equal to the shape of the magnetic linear dichroism for four-fold symmetric Fe-Ni/Cu(001) but not for three-fold symmetric Gd/Y(0001). Experimental results are presented. In this paper we examine the effect of symmetry (experimental geometry and sample geometry) on magnetic linear and circular dichroism in angle- resolved photoemission. In particular we chose separate geometries for measuring magnetic circular and magnetic linear dichroism. The geometries were chosen such that samples with four-fold symmetry about the sample normal may have magnetic circular and magnetic linear dichroism of the same shape. But samples with three-fold symmetry should not exhibit circular and magnetic linear dichroism of the same shape. The samples studied are three-fold symmetric Gd films grown on Y(0001) and four-fold symmetric Fe-Ni alloy grown on Cu(001). After presenting the methods of the experiment, we briefly review parts of a model of magnetic dichroism developed by Venus and coworkers and our specialization and extension of it, particularly for FeNi/Cu(001). We then show the results of our measurements.

  13. Transverse and Longitudinal Doppler Effects of the Sunbeam Spectra and Earth-Self Rotation and Orbital Velocities, the Mass of the Sun and Others

    OpenAIRE

    Nam, Sang Boo

    2009-01-01

    The transverse and longitudinal Doppler effects of the sunbeam spectra are shown to result in the earth parameters such as the earth-self rotation and revolution velocities, the earth orbit semi-major axis, the earth orbital angular momentum, the earth axial tilt, the earth orbit eccentricity, the local latitude and the mass of the sun. The sunbeam global positioning scheme is realized, including the earth orbital position. PACS numbers: 91.10.Fc, 95.10.Km, 91.10.Da, 91.10.Jf.

  14. Time courses and time-resolved spectra of firefly bioluminescence initiated by two methods of ATP injection and photolysis of caged ATP.

    Science.gov (United States)

    Yanagisawa, Yuki; Kageyama, Takeshi; Wada, Naohisa; Tanaka, Masatoshi; Ohno, Shin-Ya

    2013-01-01

    The time-dependent characteristics of firefly bioluminescence initiated by manual injection of adenosine triphosphate (ATP) into buffer solution containing luciferin (Ln), luciferase (Luc) and Mg(2+) were measured with a resolution of 10 ms, and compared with those obtained by photolysis of caged ATP. The time course depends on pH; both rise and decay rates decrease when pH is lowered from 7.8 to 6.8. In contrast, the parameter λ in the kinetic formula related to diffusion of ATP is almost independent of pH. The pH dependence of the time course of bioluminescence can be explained by the same pH tendency as the rate of ATP binding at the active site of Luc. The time-resolved spectra can be decomposed into two Gaussian components with maxima at 2.2 and 2.0 eV. At pH 7.8, the band at 2.2 eV is more intense than that at 2.0 eV for all three concentration conditions. At lower pH, the band at 2.2 eV becomes weaker than that at 2.0 eV. The intensity ratio of the 2.0 and 2.2 eV bands is constant for duration time of 600 s for both injection and photolysis experiments, and the above conclusions are unaffected by the concentration ratio [Ln]/[Luc].

  15. Application of high-resolution photoelectron spectroscopy: Vibrational resolved C 1s and O 1s spectra of CO adsorbed on Ni(100)

    Energy Technology Data Exchange (ETDEWEB)

    Foehlisch, A.; Nilsson, A.; Martensson, N. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    There are various effects which determine the line shape of a core-level electron spectrum. These are due to the finite life-time of the core hole, inelastic scattering of the outgoing photoelectron, electronic shake-up and shake-off processes and vibrational excitations. For free atoms and molecules the different contributions to the observed line shapes can often be well separated. For solids, surfaces and adsorbates the line shapes are in general much broader and it has in the past been assumed that no separation of the various contributions can be made. In the present report the authors will show that this is indeed not the case. Surprisingly, the vibrational fine structure of CO adsorbed on Ni(100) can be resolved in the C 1s and O 1s electron spectra. This was achieved by the combination of highly monochromatized soft X-rays from B18.0 with a high resolution Scienta 200 mm photoelectron spectrometer. X-ray photoelectron spectroscopy (XPS) with tunable excitation energy yields as a core level spectroscopy atomic and site-specific information. The presented measurements allow for a determination of internuclear distances and potential energy curves in corehole ionized adsorbed molecules. The authors analysis of the c(2x2) phase CO/Ni(100) on {open_quotes}top{close_quotes} yielded a vibrational splitting of 217 +/- 2 meV for C 1s ionization. For O 1s ionization a splitting of 173 +/- 8 meV was found.

  16. Development of a spatially resolving x-ray crystal spectrometer for measurement of ion-temperature (T(i)) and rotation-velocity (v) profiles in ITER.

    Science.gov (United States)

    Hill, K W; Bitter, M; Delgado-Aparicio, L; Johnson, D; Feder, R; Beiersdorfer, P; Dunn, J; Morris, K; Wang, E; Reinke, M; Podpaly, Y; Rice, J E; Barnsley, R; O'Mullane, M; Lee, S G

    2010-10-01

    Imaging x-ray crystal spectrometer (XCS) arrays are being developed as a US-ITER activity for Doppler measurement of T(i) and v profiles of impurities (W, Kr, and Fe) with ∼7 cm (a/30) and 10-100 ms resolution in ITER. The imaging XCS, modeled after a prototype instrument on Alcator C-Mod, uses a spherically bent crystal and 2D x-ray detectors to achieve high spectral resolving power (E/dE>6000) horizontally and spatial imaging vertically. Two arrays will measure T(i) and both poloidal and toroidal rotation velocity profiles. The measurement of many spatial chords permits tomographic inversion for the inference of local parameters. The instrument design, predictions of performance, and results from C-Mod are presented.

  17. Space-time Resolved Spectroscopic System Based on a Rotating Hexahedral Mirror for Measurement of Visible and Ultraviolet Spectral Line Emissions

    Institute of Scientific and Technical Information of China (English)

    Wu Zhenwei; Wan Baonian; Zhou Qian; Huang Juan

    2005-01-01

    By using a rotating hexahedral mirror placed in front of the objective lens and two sets of visible and ultraviolet monochromators coupled with a branchy quartz fiber bundle, a spacetime resolved spectroscopic system has been developed on the HT-7 superconducting tokamak. A center monitoring system has been used including a Helium-Neon laser and a photodiode detector to indicate the absolute position of the measurement in order to reduce the error caused by the uncertain emissive position of the plasma. By using the asymmetric Abel inversion, the spacetime resolved local emission coefficients of the spectroscopic line emissions have been obtained.Presented in this article are simultaneous measurements of two spectral line emissions such as CV ~ 227.1 nm and OV ~ 278.1 nm during a single plasma discharge on the HT-7. Experimental results indicate that the time resolution is better than 3 ms, the space resolution is better than 1.5 cm, the ratio of signal to background is better than 10:1, and the relative error of chord-integrated emission profile is less than 10%. Compared to traditional multichannel detecting systems, this system has considerably improved measurement efficiency, reduced uncertainty, and is therefore suitable for transport studies of global particles and impurities.

  18. New Optical Scanning Tomography using a rotating slicing for time-resolved measurements of 3D full field displacements in structures

    Science.gov (United States)

    Morandi, P.; Brémand, F.; Doumalin, P.; Germaneau, A.; Dupré, J. C.

    2014-07-01

    In this paper, a new optical tomography process is presented. It has been developed for time-resolved measurement of kinematic fields in the whole volume of structure. This new process is based on the scan of the specimen by a plane laser beam submitted to a motion of rotation. Calibration and reconstruction steps have been established and are described in this document. Acquisition is achieved by illuminating successive slices in the specimen using a rotating plane laser beam and data are recorded with a single CCD camera. The recorded volumes are analyzed by Digital Volume Correlation to measure the three displacement components in the bulk. This new acquisition process is assessed by performing sub-voxel rigid body translations along the three axes. We discuss the quality of a reconstructed volume and also the measurement accuracy in terms of mean error and standard deviation through rigid body displacement tests. Results are compared with those obtained using classical Optical Scanning Tomography (OST) and using X-ray Tomography.

  19. High-Resolution Spectra of the 10B18O and 11B18O: Rotational Analysis of the B-X Bands

    Institute of Scientific and Technical Information of China (English)

    V.Bojovic; A.Anti6-Jovanovi(c); M.Kuzmanovi(c)

    2005-01-01

    @@ Emission spectra of 10B18O and 11 B18O isotopomers in the 230-330 nm region have been investigated by means of conventional high-resolution spectroscopy.The molecules were produced in a low-pressure arc by discharging 8 Torr of mixture containing argon and oxygen 18 in the ratio of 4:1 and the spectra have been recorded using Ebert-type spectrograph.The boron needed to produce BO has been present in the system as amorphous powder with natural abundance of 10B and 11 B.Rotational analysis of the 0, 0 and 0, 1 bands has been performed and spectroscopic constants have been extracted.The results have allowed first determination of the equilibrium rotational constants Be and De for both isotope species 10B18O and 11B18O in their lower electronic state.Assuming a linear dependence of Be on (v + 1/2), the value of equilibrium distance re in the lower state has been derived.

  20. Ultrafast Time-Resolved Emission and Absorption Spectra of meso-Pyridyl Porphyrins upon Soret Band Excitation Studied by Fluorescence Up-Conversion and Transient Absorption Spectroscopy.

    Science.gov (United States)

    Venkatesh, Yeduru; Venkatesan, M; Ramakrishna, B; Bangal, Prakriti Ranjan

    2016-09-08

    A comprehensive study of ultrafast molecular relaxation processes of isomeric meso-(pyridyl) porphyrins (TpyPs) has been carried out by using femtosecond time-resolved emission and absorption spectroscopic techniques upon pumping at 400 nm, Soret band (B band or S2), in 4:1 dichloromethane (DCM) and tetrahydrofuran (THF) solvent mixture. By combined studies of fluorescence up-conversion, time-correlated single photon counting, and transient absorption spectroscopic techniques, a complete model with different microscopic rate constants associated with elementary processes involved in electronic manifolds has been reported. Besides, a distinct coherent nuclear wave packet motion in Qy state is observed at low-frequency mode, ca. 26 cm(-1) region. Fluorescence up-conversion studies constitute ultrafast time-resolved emission spectra (TRES) over the whole emission range (430-710 nm) starting from S2 state to Qx state via Qy state. Careful analysis of time profiles of up-converted signals at different emission wavelengths helps to reveal detail molecular dynamics. The observed lifetimes are as indicated: A very fast decay component with 80 ± 20 fs observed at ∼435 nm is assigned to the lifetime of S2 (B) state, whereas being a rise component in the region of between 550 and 710 nm emission wavelength pertaining to Qy and Qx states, it is attributed to very fast internal conversion (IC) occurring from B → Qy and B → Qx as well. Two distinct components of Qy emission decay with ∼200-300 fs and ∼1-1.5 ps time constants are due to intramolecular vibrational redistribution (IVR) induced by solute-solvent inelastic collisions and vibrational redistribution induced by solute-solvent elastic collision, respectively. The weighted average of these two decay components is assigned as the characteristic lifetime of Qy, and it ranges between 0.3 and 0.5 ps. An additional ∼20 ± 2 ps rise component is observed in Qx emission, and it is assigned to the formation time of

  1. Analysis of Rotational Structure in the High-Resolution Infrared Spectra of the TRANS-HEXATRIENE-1,1-D2 and -CIS-1-D1 Species

    Science.gov (United States)

    Craig, Norman C.; Fuson, Hannah A.; Tian, Hengfeng; Blake, Thomas A.

    2011-06-01

    Hexatriene-1,1-D2 with some admixture of the cis-1-D1 and trans-1-D1 species was synthesized by reaction of 2,4-pentadienal and (methyl-D3)-triphenylphosphonium iodide (Wittig reagent). The trans isomer was isolated by preparative gas chromatography, and the high-resolution (0.0015 Cm-1) infrared spectrum was recorded on a Bruker IFS 125HR instrument. The rotational structure in two C-type bands for the 1,1-D2 species was analyzed. For this species the bands at 902.043 and 721.864 Cm-1 yielded composite ground state rotational constants of A0 = 0.801882(1), B0 = 0.041850(2), and C0 = 0.039804(1) Cm-1. For the cis-1-D1 species the C-type band at 803.018 Cm-1 gave A0 = 0.809384(2), B0 = 0.043530(3), and C0 = 0.041321(2) Cm-1. By iodine-catalyzed isomerization, we have obtained some of the much less favored cis isomer and hope to obtain microwave spectra for its three deuterium-substituted species. The rotational constants reported here contribute to data needed for determining a semi-experimental structure for trans-hexatriene, which should show that the structural consequences of pi-electron delocalization increase with the chain length of polyenes.

  2. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-1,1-d2 and -cis-1-d1

    Science.gov (United States)

    Craig, Norman C.; Fuson, Hannah A.; Tian, Hengfeng; Blake, Thomas A.

    2012-09-01

    Mixtures of trans-hexatriene-1,1-d2, -cis-1-d1, and -trans-1-d1 have been synthesized. Anharmonic frequencies and harmonic intensities were predicted with the B3LYP/cc-pVTZ model for the out-of-plane (a″) modes of the three isotopologues. Assignments are proposed for most of the a″ vibrational modes above 500 cm-1. Ground state (GS) rotational constants have been determined for the 1,1-d2 and cis-1-d1 species from the analysis of rotational structure of C-type bands in the high-resolution (0.0015 cm-1) infrared spectra in a mixture of the three isotopologues. The GS constants for the 1,1-d2 species are A0 = 0.8018850(6), B0 = 0.0418540(6), and C0 = 0.0397997(4) cm-1. The GS constants for the cis-1-d1 species are A0 = 0.809388(1), B0 = 0.043532(2), and C0 = 0.041320(1) cm-1. Small inertial defects confirm planarity for both species. These ground state rotational constants are intended for use in determining a semiexperimental equilibrium structure and evaluating the influence of chain length on π-electron delocalization in polyenes.

  3. Molecular dynamics and information on possible sites of interaction of intramyocellular metabolites in vivo from resolved dipolar couplings in localized 1H NMR spectra

    Science.gov (United States)

    Schröder, Leif; Schmitz, Christian; Bachert, Peter

    2004-12-01

    solutions of histidine and N-acetyl- L-aspartate (NAA) enabled the assignment of an additional signal component at δ = 8 ppm of Cs in vivo to the amide group at the peptide bond. The visibility of this proton could result from hydrogen bonding which would agree with the anticipated stronger motional restriction of Cs. Referring to the observation that all dipolar-coupled multiplets resolved in localized in vivo 1H NMR spectra of human m. gastrocnemius collapse simultaneously when the fibre structure is tilted towards the magic angle ( θ ≈ 55°), a common model for molecular confinement in muscle tissue is proposed on the basis of an interaction of the studied metabolites with myocellular membrane phospholipids.

  4. Rotational energy transfer of the A{sup 2}{Sigma}`({nu}`=1) state of OH

    Energy Technology Data Exchange (ETDEWEB)

    Beaud, P.; Radi, P.; Frey, H.B.; Mischler, B.; Tzannis, A.P.; Gerber, T. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Spectrally and temporally resolved laser excited fluorescence of OH is investigated in the picosecond time domain. The total rotational energy transfer (RET) rate from the excited state is determined from the experimental data. Simulated spectra obtained by modelling RET with the energy corrected sudden approximation agree well with the measured spectra. (author) 1 fig., 1 tab., 5 refs.

  5. Rotational spectra of isotopic species of methyl cyanide, CH3CN, in their v8 = 1 excited vibrational states

    CERN Document Server

    Müller, H S P; Pearson, J C; Ordu, M H; Wehres, N; Lewen, F

    2016-01-01

    Methyl cyanide is an important trace molecule in space, especially in star-forming regions where it is one of the more common molecules used to derive kinetic temperatures. We want to obtain accurate spectroscopic parameters of minor isotopologs of methyl cyanide in their lowest excited v8 = 1 vibrational states to support astronomical observations, in particular, with interferometers such as ALMA. The laboratory rotational spectrum of methyl cyanide in natural isotopic composition has been recorded from the millimeter to the terahertz regions. Transitions with good signal-to-noise ratios could be identified for the three isotopic species CH3(13)CN, (13)CH3CN, and CH3C(15)N up to about 1.2 THz (J" <= 66). Accurate spectroscopic parameters were obtained for all three species. The present data were already instrumental in identifying v8 = 1 lines of methyl cyanide with one (13)C in IRAM 30 m and ALMA data toward Sagittarius B2(N).

  6. The rotational spectra of the ground and first excited bending states of deuterium isocyanide, DNC, up to 2 THz

    Science.gov (United States)

    Brünken, S.; Müller, H. S. P.; Thorwirth, S.; Lewen, F.; Winnewisser, G.

    2006-01-01

    The pure rotational spectrum of deuterium isocyanide (DNC) was recorded in the frequency range from approximately 680 to 1985 GHz. Twenty-one new transitions in the vibrational ground and first excited bending states (01e,f 0) have been assigned, namely R-branch transitions from J=9-8 to 25-24. In a least squares analysis of these new transition frequencies together with previously reported millimeter-wave data, spectroscopic parameters up to sextic order could be derived with high precision for both states. Furthermore, the l-type doubling constant q and its centrifugal distortion terms qJ and qJJ were obtained for the first excited bending state.

  7. Molecular structure and vibrational spectra of spin-crossover complexes in solution and colloidal media: resonance Raman and time-resolved resonance Raman studies.

    Science.gov (United States)

    Brady, Clare; Callaghan, Philip L; Ciunik, Zbigniew; Coates, Colin G; Døssing, Anders; Hazell, Alan; McGarvey, John J; Schenker, Sabine; Toftlund, Hans; Trautwein, Alfred X; Winkler, Heiner; Wolny, Juliusz A

    2004-07-12

    The spin-crossover system [Fe(btpa)](PF(6))(2) (btpa = N,N,N',N'-tetrakis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine) and the predominantly low-spin species [Fe(b(bdpa))](PF(6))(2) ((b(bdpa) = N,N'-bis(benzyl)-N,N'-bis(2-pyridylmethyl)-6,6'-bis(aminomethyl)-2,2'-bipyridine) have been characterized by means of X-ray diffraction. The unit cell of [Fe(btpa)](PF(6))(2) contains two crystallographically independent molecules revealing octahedral low-spin and quasi-seven-coordinated high-spin structures. The unit cell of [Fe(b(bdpa))](PF(6))(2) contains two crystallographically independent molecules one of which corresponds to a low-spin structure, while the other reveals a disordering. On the basis of magnetic susceptibility and Mössbauer measurements, it has been proposed that this disorder involves low-spin and high-spin six-coordinated molecules. The structures of [Zn(btpa)](PF(6))(2) and [Ru(btpa)](PF(6))(2) have been determined also. Pulsed laser photoperturbation, coupled here with time-resolved resonance Raman spectroscopy (TR(3)), has been used to investigate, for the first time by this technique, the relaxation dynamics in solution on nanosecond and picosecond time scales of low-spin, LS ((1)A) --> high-spin, HS ((5)T) electronic spin-state crossover in these Fe(II) complexes. For the nanosecond experiments, use of a probe wavelength at 321 nm, falling within the pi-pi transition of the polypyridyl backbone of the ligands, enabled the investigation of vibrational modes of both LS and HS isomers, through coupling to spin-state-dependent angle changes of the backbone. Supplementary investigations of the spin-crossover (SCO) equilibrium in homogeneous solution and in colloidal media assisted the assignment of prominent features in the Raman spectra of the LS and HS isomers. The relaxation data from the nanosecond studies confirm and extend earlier spectrophotometric findings, (Schenker, S.; Stein, P. C.; Wolny, J. A.; Brady, C.; McGarvey, J. J

  8. Molecular design of DABNTf as a highly efficient resolving reagent for racemic Pd complex with Tropos biphenylphosphine (BIPHEP) ligand: circular dichroism (CD) spectra of enantiopure BIPHEP-Pd complex.

    Science.gov (United States)

    Mikami, Koichi; Yusa, Yukinori; Aikawa, Kohsuke; Hatano, Manabu

    2003-01-01

    The racemic Pd complexes with chirally flexible (tropos) biphenylphosphine (BIPHEP) ligands can be resolved but transformed into the enantio- and diastereo-pure complex. The enantiopure metal complex of BIPHEP ligand is thus obtained through enantiomer-selective complexation of a racemic BIPHEP-Pd complex with enantiopure 1,1'-binaphthyl-2,2'-di(triflyl)amide, DABNTf. The differential CD spectra of the enantiopure BIPHEP-Pd complex is also reported. Copyright 2002 Wiley-Liss, Inc.

  9. Discovery of a Strongly-Lensed Massive Quiescent Galaxy at z=2.636: Spatially-Resolved Spectroscopy and Indications of Rotation

    CERN Document Server

    Newman, Andrew B; Ellis, Richard S

    2015-01-01

    We report the discovery of RG1M0150, a massive, recently quenched galaxy at z=2.636 that is multiply imaged by the cluster MACSJ0150.3-1005. We derive a stellar mass of log M_*=11.49+0.10-0.16 and a half-light radius of R_e,maj =1.8+-0.4 kpc. Taking advantage of the lensing magnification, we are able to spatially resolve a remarkably massive yet compact quiescent galaxy at z>2 in ground-based near-infrared spectroscopic observations using Magellan/FIRE and Keck/MOSFIRE. We find no gradient in the strength of the Balmer absorption lines over 0.6 R_e - 1.6 R_e, which are consistent with an age of 760 Myr. Gas emission in [NII] broadly traces the spatial distribution of the stars and is coupled with weak Halpha emission (log [NII]/Halpha = 0.6+-0.2), indicating that OB stars are not the primary ionizing source. The velocity dispersion within the effective radius is sigma_e = 271+-41 km/s. We detect rotation in the stellar absorption lines for the first time beyond z~1. Using a two-integral Jeans model that accou...

  10. Pure rotational spectra of PbSe and PbTe: potential function, Born-Oppenheimer breakdown, field shift effect and magnetic shielding.

    Science.gov (United States)

    Giuliano, Barbara M; Bizzocchi, Luca; Cooke, Stephen; Banser, Deike; Hess, Mareike; Fritzsche, Juliane; Grabow, Jens-Uwe

    2008-04-21

    The pure rotational spectra of 41 isotopic species of PbSe and PbTe have been measured in their X 1Sigma+ electronic state with a resonator pulsed-jet Fourier transform microwave spectrometer. The molecules were prepared by laser ablation of suitable target rods and stabilised in supersonic jets of noble gas. Global multi-isotopologue analyses yielded spectroscopic Dunham parameters Y01, Y11, Y21, Y31, Y02, and Y12 for both species, as well as effective Born-Oppenheimer breakdown (BOB) coefficients delta01 for Pb, Se and Te. Unusual large values of the BOB parameters for Pb have been rationalized in terms of finite nuclear size (field shift) effect. A direct fit of the same data sets to an appropriate radial Hamiltonian yielded analytic potential energy functions and BOB radial functions for the X 1Sigma+ electronic state of both PbSe and PbTe. Additionally, the magnetic hyperfine interactions produced by the uneven mass number A nuclei 207Pb, 77Se, 123Te, and 125Te were observed, yielding first determinations of the corresponding nuclear spin-rotation coupling constants.

  11. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 microm.

    Science.gov (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert

    2009-09-21

    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 mum up to 1455 K under Doppler limited resolution (0.015 cm(-1)). The nu(3)-ground state (GS) and nu(2)+nu(4)+nu(5) (Sigma(u) (+) and Delta(u))-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm(-1), are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm(-1). A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  12. Rotational spectra of isotopic species of methyl cyanide, CH3CN, in their v8 = 1 excited vibrational states

    Science.gov (United States)

    Müller, Holger S. P.; Drouin, Brian J.; Pearson, John C.; Ordu, Matthias H.; Wehres, Nadine; Lewen, Frank

    2016-02-01

    Context. Methyl cyanide is an important trace molecule in space, especially in star-forming regions where it is one of the more common molecules used to derive kinetic temperatures. Aims: We want to obtain accurate spectroscopic parameters of minor isotopologs of methyl cyanide in their lowest excited ν8 = 1 vibrational states to support astronomical observations, in particular, with interferometers such as ALMA. Methods: The laboratory rotational spectrum of methyl cyanide in natural isotopic composition has been recorded from the millimeter to the terahertz regions. Results: Transitions with good signal-to-noise ratios could be identified for the three isotopic species CH313CN, 13CH3CN, and CH3C15N up to about 1.2 THz (J'' ≤ 66). Accurate spectroscopic parameters were obtained for all three species. Conclusions: The present data were already instrumental in identifying ν8 = 1 lines of methyl cyanide with one 13C in IRAM 30 m and ALMA data toward Sagittarius B2(N).

  13. Research on Convergence of Nuclear Rotational Spectra Formula%原子核转动谱公式的收敛性研究

    Institute of Scientific and Technical Information of China (English)

    陈永静; 徐辅新

    2001-01-01

    The superdefonned bands in the A- 190 region are systematically analyzed using four-parameter rotational spectra formula of Bohr-Mottelson' s I(I + 1) expansion . The convergence of two- parameter ab formula is compared with that of three-parameter abc formula by four parameters A, B, C, D. The result shows that the four- parameter value relation doesn' t support the theoretically expected values of ab and abc formulas, but comparatively the four- parameter value relation agrees with the theoretically expected value of ab formula better than that of abc formula.%利用Bohr-MottelsonⅠ(Ⅰ+1)展开的四参数转动谱公式,系统分析了A-190区超形变带。利用所得的四参数A,B,C,D对转动谱的两参数ab公式和三参数abc公式的收敛性作了比较。结果表明,四参数数值关系不支持ab公式和abc公式的理论预期值,但相对而言,更接近ab公式的理论预期值。

  14. Aldopentoses in the Gas Phase: Rotational Spectra of D-Xylose D-Arabinose D-Lyxose and 2-DEOXY-D-RIBOSE

    Science.gov (United States)

    Pena, I.; Cabezas, C.; Daly, A. M.; Bermudez, C.; Mata, S.; Blanco, S.; Lopez, J. C.; Alonso, J. L.

    2013-06-01

    A new experimental approach chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer combined with a laser ablation (LA) source has been used to investigate the conformational distribution of aldopentoses. From their laser ablated crystalline solids, two conformers of α-D-xylopyranose, four of β-D-arabinopyranose, five of β-D-lyxopyranose and two α- and four β- of 2-deoxy-D -ribopyranose have been identified in the supersonic jet on the basis of the experimental rotational constants extracted from the analysis of the spectra. The five monosubstituted ^{13}C species of the most abundant conformer of D-xylopyranose have been observed in their natural abundance, taking advantage of the sensitivity of our spectrometer. The anomeric effect and cooperative hydrogen bonding have been found to be the main factors which control the conformational behavior of the observed conformers. G. G. Brown, B. C. Dian, K. O. Douglass, S. M. Geyer, S. T. Shipman, B. H. Pate, Rev. Sci. Instrum. 2008, 79, 053103. S. Mata, I. Peña, C. Cabezas, J. C. López, J. L. Alonso, J. Mol. Spectrosc. 2012, 280, 91.

  15. Ultrahigh spatiotemporal resolved spectroscopy

    Institute of Scientific and Technical Information of China (English)

    LI; Zhi

    2007-01-01

    We review the technique and research of the ultrahigh spatiotemporal resolved spectroscopy and its applications in the field of the ultrafast dynamics of mesoscopic systems and nanomaterials. Combining femtosecond time-resolved spectroscopy and scanning near-field optical microscopy (SNOM), we can obtain the spectra with ultrahigh temporal and spatial resolutions simultaneously. Some problems in doing so are discussed. Then we show the important applications of the ultrahigh spatiotemporal resolved spectroscopy with a few typical examples.……

  16. Ultrahigh spatiotemporal resolved spectroscopy

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    @@ We review the technique and research of the ultrahigh spatiotemporal resolved spectroscopy and its applications in the field of the ultrafast dynamics of mesoscopic systems and nanomaterials. Combining femtosecond time-resolved spectroscopy and scanning near-field optical microscopy (SNOM), we can obtain the spectra with ultrahigh temporal and spatial resolutions simultaneously. Some problems in doing so are discussed. Then we show the important applications of the ultrahigh spatiotemporal resolved spectroscopy with a few typical examples.

  17. Process the Experimental Data of Time-resolved Photoluminescence Lifetime Spectra on Cu2 O Nanowires by Origin%用Origin拟合Cu2 O纳米线时间分辨荧光光谱寿命

    Institute of Scientific and Technical Information of China (English)

    王鹏

    2015-01-01

    The time-resolved photoluminescence spectra of synthesized Cu2 O nanowires are fitted by the func-tion of exponential decay in Origin. The time-resolved photoluminescence lifetimes of the Cu2 O nanowires are obtained in the temperature region of 77-300 K.%基于用Origin软件的指数衰减拟合函数对制备得到的Cu2 O纳米线的时间分辨荧光光谱进行拟合,得到了Cu2 O纳米线在77-300 K温度范围内的瞬态荧光寿命值。

  18. Spatially resolved quasiparticle tunneling spectra in the vortex state of optimally hole-doped YBa2Cu3Ox (Y-123)

    Science.gov (United States)

    Grinolds, M. S.; Beyer, A. D.; Teague, M. L.; Yeh, N.-C.

    2008-03-01

    We report cryogenic scanning tunneling spectroscopic (STS) studies of superconducting single crystalline Y-123 (Tc = 93 K) as a function of magnetic field. We study and model the influence of competing orders (COs), which coexist with superconductivity (SC), on the quasiparticle (QP) excitation spectra. The spatial dependence of the QP tunneling spectra is probed via STS to quantify the presence and spatial extent of SC and CO. Zero-field spatial maps of the QP spectra (100x100 nm^2) in Y-123 exhibit long-range spatial homogeneity of SC (δSC = 23±1 meV) associated with the spectral coherence peaks and the presence of CO (VCO = 33±2 meV) that gives rise to the spectral satellite features at δeff = [(δSC)^2+(VCO)^2]^1/2. Conductance maps of the Y-123 in finite fields demonstrate spatially varying spectra consistent with the periodicity a0 of the vortex lattice, with pseudogap (PG) like features at ˜VCO inside the vortex core and SC gap features remaining at ˜δSC outside the vortex core. Moreover, conductance histograms of the vortex state reveal that the ratio of the areas associated with δSC and VCO is comparable to (a0/ξab)^2, (ξab: in-plane SC coherence length). These results therefore suggest the important role of COs in the cuprate QP excitations. This work is supported by NSF Grant DMR-0405088.

  19. Intramolecular structure and dynamics of mequinol and guaiacol in the gas phase: Rotationally resolved electronic spectra of their S{sub 1} states

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz-Santoyo, José Arturo; Rodríguez-Matus, Marcela; Álvarez-Valtierra, Leonardo, E-mail: leoav@fisica.ugto.mx, E-mail: gmerino@mda.cinvestav.mx [División de Ciencias e Ingenierías, Universidad de Guanajuato-Campus León, León, Guanajuato 37150 (Mexico); Cabellos, José Luis; Merino, Gabriel, E-mail: leoav@fisica.ugto.mx, E-mail: gmerino@mda.cinvestav.mx [Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados Unidad Mérida, Mérida, Yucatán 97310 (Mexico); Yi, John T. [Department of Chemistry, Winston-Salem State University, Winston-Salem, North Carolina 27110 (United States); Pratt, David W. [Department of Chemistry, University of Vermont, Burlington, Vermont 05405 (United States); Schmitt, Michael [Physikalische Chemie, Heinrich-Heine-Universität, Düsseldorf, Deutschland 40204 (Germany)

    2015-09-07

    The molecular structures of guaiacol (2-methoxyphenol) and mequinol (4-methoxyphenol) have been studied using high resolution electronic spectroscopy in a molecular beam and contrasted with ab initio computations. Mequinol exhibits two low frequency bands that have been assigned to electronic origins of two possible conformers of the molecule, trans and cis. Guaiacol also shows low frequency bands, but in this case, the bands have been assigned to the electronic origin and vibrational modes of a single conformer of the isolated molecule. A detailed study of these bands indicates that guaiacol has a vibrationally averaged planar structure in the ground state, but it is distorted along both in-plane and out-of-plane coordinates in the first electronically excited state. An intramolecular hydrogen bond involving the adjacent   –OH and   –OCH{sub 3} groups plays a major role in these dynamics.

  20. Phase-resolved energy spectra of the Crab pulsar in the range of 50-400 GeV measured with the MAGIC telescopes

    Science.gov (United States)

    Aleksić, J.; Alvarez, E. A.; Antonelli, L. A.; Antoranz, P.; Asensio, M.; Backes, M.; Barrio, J. A.; Bastieri, D.; Becerra González, J.; Bednarek, W.; Berdyugin, A.; Berger, K.; Bernardini, E.; Biland, A.; Blanch, O.; Bock, R. K.; Boller, A.; Bonnoli, G.; Borla Tridon, D.; Braun, I.; Bretz, T.; Cañellas, A.; Carmona, E.; Carosi, A.; Colin, P.; Colombo, E.; Contreras, J. L.; Cortina, J.; Cossio, L.; Covino, S.; Dazzi, F.; de Angelis, A.; de Caneva, G.; de Cea Del Pozo, E.; de Lotto, B.; Delgado Mendez, C.; Diago Ortega, A.; Doert, M.; Domínguez, A.; Dominis Prester, D.; Dorner, D.; Doro, M.; Eisenacher, D.; Elsaesser, D.; Ferenc, D.; Fonseca, M. V.; Font, L.; Fruck, C.; García López, R. J.; Garczarczyk, M.; Garrido, D.; Giavitto, G.; Godinović, N.; Hadasch, D.; Häfner, D.; Herrero, A.; Hildebrand, D.; Höhne-Mönch, D.; Hose, J.; Hrupec, D.; Jogler, T.; Kellermann, H.; Klepser, S.; Krähenbühl, T.; Krause, J.; Kushida, J.; La Barbera, A.; Lelas, D.; Leonardo, E.; Lewandowska, N.; Lindfors, E.; Lombardi, S.; López, M.; López-Oramas, A.; Lorenz, E.; Makariev, M.; Maneva, G.; Mankuzhiyil, N.; Mannheim, K.; Maraschi, L.; Mariotti, M.; Martínez, M.; Mazin, D.; Meucci, M.; Miranda, J. M.; Mirzoyan, R.; Moldón, J.; Moralejo, A.; Munar-Adrover, P.; Niedzwiecki, A.; Nieto, D.; Nilsson, K.; Nowak, N.; Orito, R.; Paneque, D.; Paoletti, R.; Pardo, S.; Paredes, J. M.; Partini, S.; Perez-Torres, M. A.; Persic, M.; Peruzzo, L.; Pilia, M.; Pochon, J.; Prada, F.; Prada Moroni, P. G.; Prandini, E.; Puerto Gimenez, I.; Puljak, I.; Reichardt, I.; Reinthal, R.; Rhode, W.; Ribó, M.; Rico, J.; Rügamer, S.; Saggion, A.; Saito, K.; Saito, T. Y.; Salvati, M.; Satalecka, K.; Scalzotto, V.; Scapin, V.; Schultz, C.; Schweizer, T.; Shayduk, M.; Shore, S. N.; Sillanpää, A.; Sitarek, J.; Šnidarić, I.; Sobczynska, D.; Spanier, F.; Spiro, S.; Stamatescu, V.; Stamerra, A.; Steinke, B.; Storz, J.; Strah, N.; Surić, T.; Takalo, L.; Takami, H.; Tavecchio, F.; Temnikov, P.; Terzić, T.; Tescaro, D.; Teshima, M.; Tibolla, O.; Torres, D. F.; Treves, A.; Uellenbeck, M.; Vankov, H.; Vogler, P.; Wagner, R. M.; Weitzel, Q.; Zabalza, V.; Zandanel, F.; Zanin, R.; Hirotani, K.

    2012-04-01

    We use 73 h of stereoscopic data taken with the MAGIC telescopes to investigate the very high-energy (VHE) gamma-ray emission of the Crab pulsar. Our data show a highly significant pulsed signal in the energy range from 50 to 400 GeV in both the main pulse (P1) and the interpulse (P2) phase regions. We provide the widest spectra to date of the VHE components of both peaks, and these spectra extend to the energy range of satellite-borne observatories. The good resolution and background rejection of the stereoscopic MAGIC system allows us to cross-check the correctness of each spectral point of the pulsar by comparison with the corresponding (strong and well-known) Crab nebula flux. The spectra of both P1 and P2 are compatible with power laws with photon indices of 4.0 ± 0.8 (P1) and 3.42 ± 0.26 (P2), respectively, and the ratio P1/P2 between the photon counts of the two pulses is 0.54 ± 0.12. The VHE emission can be understood as an additional component produced by the inverse Compton scattering of secondary and tertiary e± pairs on IR-UV photons.

  1. Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

    Science.gov (United States)

    Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.; Kinahan, Sean; Corson, Elizabeth; Eshbaugh, Jonathan; Santarpia, Joshua L.

    2015-03-01

    Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometer (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.

  2. PHOTOCONDUCTIVE PROPERTIES OF PVK:Alq3 BLEND FILMS STUDIED BY STEADY-STATE AND TIME-RESOLVED TRANSIENT PHOTOCURRENT SPECTRA

    Institute of Scientific and Technical Information of China (English)

    Hui Jin; Yan-bing Hou; Xian-guo Meng; Ai-wei Tang; Feng Teng

    2008-01-01

    The carrier transport properties of the blends of the hole transport material poly(N-vinylcarbazole) (PVK) and the electron transport material tris (8-hydroxyquinolinotato) aluminum Ⅲ (Alq3) are investigated at room temperature using steady-state and time-resolved transient photocurrent measurements as a function of doping concentration of Alq3. Due to lower LUMO and higher HOMO energy level of Alq3 than those of PVK, Alq3 molecules may act as carrier trap states in PVK films at low concentration. However, at high concentration of Alq3, phase separation reduces trap states to some extent,which leads to the rise of photocurrent. It is concluded that strong excitation transfer from PVK to Alq3 does harm to photocurrent, because strong fluorescence effect of Alq3 inhibits photogeneration of charge carriers. In time-resolved transient photocurrent measurements, it is found that the decay time is obviously shortened because the recombination rate increases and the electron mobility of Alq3 is higher than the hole mobility of PVK.

  3. Rotational analysis of the A(2)Sigma(+)((nu=1,2))-X-2 Pi((nu=0)) electronic bands of (NO)-N-15-O-18

    NARCIS (Netherlands)

    Ityaksov, D.; Stolte, S.; Linnartz, H.V.J.; Ubachs, W.M.G.

    2009-01-01

    Deep-UV spectra of (NO)-N-15-O-18 have been recorded using cavity ring-down spectroscopy in the 205-216 nm egion. The rotationally resolved spectra have been assigned for a first time as originating from the nu '' = 0 X-2 Pi(r) states toward nu' = 1 and 2 vibrationally excited levels in the upper A(

  4. Radiative Rotational Lifetimes and State-Resolved Relative Detachment Cross Sections from Photodetachment Thermometry of Molecular Anions in a Cryogenic Storage Ring

    Science.gov (United States)

    Meyer, C.; Becker, A.; Blaum, K.; Breitenfeldt, C.; George, S.; Göck, J.; Grieser, M.; Grussie, F.; Guerin, E. A.; von Hahn, R.; Herwig, P.; Krantz, C.; Kreckel, H.; Lion, J.; Lohmann, S.; Mishra, P. M.; Novotný, O.; O'Connor, A. P.; Repnow, R.; Saurabh, S.; Schwalm, D.; Schweikhard, L.; Spruck, K.; Sunil Kumar, S.; Vogel, S.; Wolf, A.

    2017-07-01

    Photodetachment thermometry on a beam of OH- in a cryogenic storage ring cooled to below 10 K is carried out using two-dimensional frequency- and time-dependent photodetachment spectroscopy over 20 min of ion storage. In equilibrium with the low-level blackbody field, we find an effective radiative temperature near 15 K with about 90% of all ions in the rotational ground state. We measure the J =1 natural lifetime (about 193 s) and determine the OH- rotational transition dipole moment with 1.5% uncertainty. We also measure rotationally dependent relative near-threshold photodetachment cross sections for photodetachment thermometry.

  5. Phase-resolved energy spectra of the Crab Pulsar in the range of 50-400 GeV measured with the MAGIC Telescopes

    CERN Document Server

    Aleksić, J; Antonelli, L A; Antoranz, P; Asensio, M; Backes, M; Barrio, J A; Bastieri, D; González, J Becerra; Bednarek, W; Berdyugin, A; Berger, K; Bernardini, E; Biland, A; Blanch, O; Bock, R K; Boller, A; Bonnoli, G; Tridon, D Borla; Braun, I; Bretz, T; Cañellas, A; Carmona, E; Carosi, A; Colin, P; Colombo, E; Contreras, J L; Cortina, J; Cossio, L; Covino, S; Dazzi, F; De Angelis, A; De Caneva, G; del Pozo, E De Cea; De Lotto, B; Mendez, C Delgado; Ortega, A Diago; Doert, M; Domínguez, A; Prester, D Dominis; Dorner, D; Doro, M; Eisenacher, D; Elsaesser, D; Ferenc, D; Fonseca, M V; Font, L; Fruck, C; López, R J García; Garczarczyk, M; Garrido, D; Giavitto, G; Godinović, N; Hadasch, D; Häfner, D; Herrero, A; Hildebrand, D; Höhne-Mönch, D; Hose, J; Hrupec, D; Jogler, T; Kellermann, H; Klepser, S; Krähenbühl, T; Krause, J; Kushida, J; La Barbera, A; Lelas, D; Leonardo, E; Lewandowska, N; Lindfors, E; Lombardi, S; López, M; López-Oramas, A; Lorenz, E; Makariev, M; Maneva, G; Mankuzhiyil, N; Mannheim, K; Maraschi, L; Marcote, B; Mariotti, M; Martínez, M; Mazin, D; Meucci, M; Miranda, J M; Mirzoyan, R; Moldón, J; Moralejo, A; Munar-Adrover, P; Niedzwiecki, A; Nieto, D; Nilsson, K; Nowak, N; Orito, R; Paneque, D; Paoletti, R; Pardo, S; Paredes, J M; Partini, S; Perez-Torres, M A; Persic, M; Peruzzo, L; Pilia, M; Pochon, J; Prada, F; Moroni, P G Prada; Prandini, E; Gimenez, I Puerto; Puljak, I; Reichardt, I; Reinthal, R; Rhode, W; Ribó, M; Rico, J; Rügamer, S; Saggion, A; Saito, K; Saito, T Y; Salvati, M; Satalecka, K; Scalzotto, V; Scapin, V; Schultz, C; Schweizer, T; Shayduk, M; Shore, S N; Sillanpää, A; Sitarek, J; Snidaric, I; Sobczynska, D; Spanier, F; Spiro, S; Stamatescu, V; Stamerra, A; Steinke, B; Storz, J; Strah, N; Surić, T; Takalo, L; Takami, H; Tavecchio, F; Temnikov, P; Terzić, T; Tescaro, D; Teshima, M; Tibolla, O; Torres, D F; Treves, A; Uellenbeck, M; Vankov, H; Vogler, P; Wagner, R M; Weitzel, Q; Zabalza, V; Zandanel, F; Zanin, R; Hirotani, K

    2011-01-01

    We use 73 h of stereoscopic data taken with the MAGIC telescopes to investigate the very high energy (VHE) gamma-ray emission of the Crab Pulsar. Our data show a highly significant pulsed signal in the energy range from 50 to 400 GeV, in both the main pulse (P1) and interpulse (P2) phase regions. We provide the widest spectra to date of the VHE components of both peaks, extending down to the energy range of satellite-borne observatories. The improved precision and background rejection of the stereoscopic technique leads to relatively low systematic uncertainties and allows us to cross-check the correctness of each spectral point of the pulsar by comparison with the corresponding (strong and well-known) Crab Nebula flux. The spectra of both P1 and P2 are compatible with power laws of photon indices 4.0\\pm0.8 (P1) and 3.42\\pm0.26 (P2), respectively, and the ratio P1/P2 between the pulses is 0.54\\pm 0.12. The VHE emission can be understood as an additional component produced by inverse Compton scattering of seco...

  6. Cation profiling of passive films on stainless steel formed in sulphuric and acetic acid by deconvolution of angle-resolved X-ray photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Högström, Jonas, E-mail: jhogstrom@gmail.com; Fredriksson, Wendy, E-mail: wendy.fredriksson@kemi.uu.se; Edstrom, Kristina, E-mail: kristina.edstrom@kemi.uu.se; Björefors, Fredrik, E-mail: fredrik.bjorefors@kemi.uu.se; Nyholm, Leif, E-mail: leif.nyholm@kemi.uu.se; Olsson, Claes-Olof A., E-mail: drclabbe@kth.se

    2013-11-01

    An approach for determining depth gradients of metal-ion concentrations in passive films on stainless steel using angle-resolved X-ray photoelectron spectroscopy (ARXPS) is described. The iterative method, which is based on analyses of the oxidised metal peaks, provides increased precision and hence allows faster ARXPS measurements to be carried out. The method was used to determine the concentration depth profiles for molybdenum, iron and chromium in passive films on 316L/EN 1.4432 stainless steel samples oxidised in 0.5 M H{sub 2}SO{sub 4} and acetic acid diluted with 0.02 M Na{sub 2}B{sub 4}O{sub 7} · 10H{sub 2}O and 1 M H{sub 2}O, respectively. The molybdenum concentration in the film is pin-pointed to the oxide/metal interface and the films also contained an iron-ion-enriched surface layer and a chromium-ion-dominated middle layer. Although films of similar composition and thickness (i.e., about 2 nm) were formed in the two electrolytes, the corrosion currents were found to be three orders of magnitude larger in the acetic acid solution. The differences in the layer composition, found for the two electrolytes as well as different oxidation conditions, can be explained based on the oxidation potentials of the metals and the dissolution rates of the different metal ions.

  7. Optimal fitting of gaussian-apodized or under-resolved emission lines in Fourier Transform spectra providing new insights on the velocity structure of NGC 6720

    Science.gov (United States)

    Martin, Thomas B.; Prunet, Simon; Drissen, Laurent

    2016-09-01

    An analysis of the kinematics of NGC 6720 is performed on the commissioning data obtained with SITELLE, the Canada-France-Hawaii Telescope's new imaging Fourier transform spectrometer. In order to measure carefully the small broadening effect of a shell expansion on an unresolved emission line, we have determined a computationally robust implementation of the convolution of a Gaussian with a sinc instrumental line shape which avoids arithmetic overflows. This model can be used to measure line broadening of typically a few km s-1 even at low spectral resolution (R less than 5000). We have also designed the corresponding set of Gaussian apodizing functions that are now used by ORBS, the SITELLE's reduction pipeline. We have implemented this model in ORCS, a fitting engine for SITELLE's data, and used it to derive the [S II] density map of the central part of the nebula. The study of the broadening of the [N II] lines shows that the Main Ring and the Central Lobe are two different shells with different expansion velocities. We have also derived deep and spatially resolved velocity maps of the Halo in [N II] and Hα and found that the brightest bubbles are originating from two bipolar structures with a velocity difference of more than 35 km s-1 lying at the poles of a possibly unique Halo shell expanding at a velocity of more than 15 km s-1.

  8. A study of selective spectrophotometric methods for simultaneous determination of Itopride hydrochloride and Rabeprazole sodium binary mixture: Resolving sever overlapping spectra

    Science.gov (United States)

    Mohamed, Heba M.

    2015-02-01

    Itopride hydrochloride (IT) and Rabeprazole sodium (RB) are co-formulated together for the treatment of gastro-esophageal reflux disease. Three simple, specific and accurate spectrophotometric methods were applied and validated for simultaneous determination of Itopride hydrochloride (IT) and Rabeprazole sodium (RB) namely; constant center (CC), ratio difference (RD) and mean centering of ratio spectra (MCR) spectrophotometric methods. Linear correlations were obtained in range of 10-110 μg/μL for Itopride hydrochloride and 4-44 μg/mL for Rabeprazole sodium. No preliminary separation steps were required prior the analysis of the two drugs using the proposed methods. Specificity was investigated by analyzing the synthetic mixtures containing the two cited drugs and their capsules dosage form. The obtained results were statistically compared with those obtained by the reported method, no significant difference was obtained with respect to accuracy and precision. The three methods were validated in accordance with ICH guidelines and can be used for quality control laboratories for IT and RB.

  9. High pressure and time-resolved luminescence spectra of Ca3Y2(SiO4)3 doped with Eu2+ and Eu3+.

    Science.gov (United States)

    Baran, A; Mahlik, S; Grinberg, M; Zych, E

    2013-01-16

    Tricalcium diyttrium trisilicon oxide, Ca(3)Y(2)(SiO(4))(3) doped with Eu(2+) and Eu(3+) belongs to a very limited number of hosts able to accommodate both Eu(3+) and Eu(2+) ions, which might make it useful for white light emitting diodes (WLEDs) based on UV chip technology. In this contribution we present a detailed study of photoluminescence kinetics and high pressure spectroscopy of Eu(3+) and Eu(2+) doped Ca(3)Y(2)(SiO(4))(3). At ambient pressure and room temperature, under excitation with near-UV radiation, a broad emission band from 400 to 550 nm due to the 4f(6)5d(1)→4f(7)((8)S(7/2)) transition in Eu(2+) was observed, as well as several emission peaks in the region between 550 and 710 nm, ascribed to the (5)D(0)→ (7)F(J) (J = 0-4) transitions in Eu(3+). The bluish green luminescence related to Eu(2+) in the Ca(3)Y(2)(SiO(4))(3) exhibits a small red pressure-induced shift reaching -5.2 cm(-1)/kbar. The red shifts of the luminescence lines related to Eu(3+) ion emission vary from 0.15 to -0.54 cm(-1)/kbar. Time-resolved photoluminescence was measured at different temperatures and pressures. Luminescence decay traces were studied for the bluish green emission band of Eu(2+) and for the red emission peak due to the (5)D(0) →  (7)F(2) transition of Eu(3+). Decay times slightly decreased with increasing pressure.

  10. 线型和非线型分子转动光谱强度的统计模型%Statistical Model for Intensities in the Rotational Spectra of Linear and Non-Linear Molecules

    Institute of Scientific and Technical Information of China (English)

    SAIZ Andrés

    2011-01-01

    In this study, we found regular behavior, from a statistical point of view, in the intensities of rotational spectra for several organic and inorganic molecules at room temperature. Non-linear molecules, for which a common intensity behavior was derived, were especially interesting. We provided theoretical support for the obtained results based on the Boltzmann distribution. Boltzmann power laws were used to reproduce the statistical behavior of the intensities from the spectra of linear and non-linear molecules. We only used statistical arguments and no specific details of any molecule were used. Therefore, these results are applicable to a large class of atoms and molecules and the model is valid when considering similar conditions to those used in this study.

  11. New measurements and global analysis of rotational spectra of Cl-, Br-, and I-benzene: Spectroscopic constants and electric dipole moments

    Science.gov (United States)

    Dorosh, Orest; Białkowska-Jaworska, Ewa; Kisiel, Zbigniew; Pszczółkowski, Lech

    2007-12-01

    The data available from rotational spectroscopy for chlorobenzene, bromobenzene, and iodobenzene have been extended by new measurements in the mm-wave region and in supersonic expansion in the cm-wave region. All available ground state measurements have been combined in global fits to derive precise rotational, centrifugal, and nuclear quadrupole coupling constants for the molecules. Rotational transitions in first excited states of the lowest frequency normal modes in bromobenzene and iodobenzene have been assigned and fitted. The values of electric dipole moments for 35Cl-, 79Br-, 81Br-, and I-benzene have been determined from Stark effect measurements on selected hyperfine components in the supersonic expansion spectrum, and are compared with values for several other series of monohalogen molecules.

  12. Oxygen-17 hyperfine structures in the pure rotational spectra of SrO, SnO, BaO, HfO and ThO.

    Science.gov (United States)

    Dewberry, Christopher T; Etchison, Kerry C; Grubbs Ii, Garry S; Powoski, Robert A; Serafin, Michal M; Peebles, Sean A; Cooke, Stephen A

    2007-11-28

    Hyperfine structures arising from the couplings of the nuclear spin angular momentum of (17)O (I = 5/2) with the end over end rotation of several metal-containing diatomic monoxides have been observed using a Fourier transform microwave spectrometer. The molecules have been produced by reacting (17)O(2) with laser ablated metal atoms. The oxygen-17 nuclear quadrupole coupling constants have been determined for the title molecules and are interpreted in terms of a simple Townes-Dailey model. Also, the oxygen-17 nuclear spin-rotation constants have been determined and used to calculate the oxygen-17 shieldings for each molecule.

  13. Time resolved Faraday rotation and ellipticity experiments with two pump excitation of electrons and holes in InGaAs QDs

    Energy Technology Data Exchange (ETDEWEB)

    Barmscheid, Dennis; Varwig, Steffen; Greilich, Alex; Schwan, Alexander; Mueller, Crispin; Yakovlev, Dmitri R.; Bayer, Manfred [Experimentelle Physik II, TU Dortmund, D-44221 Dortmund (Germany); Yugova, Irina A. [Experimentelle Physik II, TU Dortmund, D-44221 Dortmund (Germany); Institute of Physics, St. Petersburg State University, 198504 St. Petersburg (Russian Federation); Reuter, Dirk; Wieck, Andreas D. [Angewandte Festkoerperphysik, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

    2012-07-01

    The investigation of charge carrier spin dynamics in quantum dots plays an important role for the developement of spintronics. For this we perform pump-probe Faraday rotation and ellipticity experiments on self-assembled (In,Ga)As/GaAs quantum dot ensembles. Due to an excitation with a train of pump pulses, the phase of the spin precessions in the inhomogeneous QD-ensemble is synchronized to the laser repetition time T{sub R}. By two pump excitation scheme, with pumps separated by delay T{sub D}, the spins have to fulfill two phase synchronization conditions simultaneously and show rephasing within T{sub D} and T{sub R}-T{sub D}. This leads to increases of the signal amplitude, called bunches, every multiple of T{sub D}. It can be shown, that these bunches are different phenomena than the spin echoes, which occur after spin rotations. We show how this method provides an additional opportunity to study the interaction of electrons and holes with the nuclei.

  14. Conformation-resolved UV spectra of Pb(II) complexes: a gas phase study of the sandwich structures [Pb(toluene)2]2+ and [Pb(benzene)2]2+.

    Science.gov (United States)

    Ma, Lifu; Takashima, Tsukiko; Koka, Joseph; Kimber, Helen J; Cox, Hazel; Stace, Anthony J

    2013-04-28

    Toxic heavy metals, such as Pb(2+), have become important targets for the development of efficient receptors that are capable of recognizing their presence as environmental and biological pollutants, and an important part of that receptor-metal characterization process is the provision of spectral evidence that identifies the presence of a metal ion. From results reported here on a combined experimental and theoretical study it is shown that, when complexed with aromatic ligands, Pb(2+) is capable of yielding structured UV spectra, which: (i) exhibit discrete electronic transitions that include significant contributions from the metal ion; (ii) are very sensitive to the electronic properties of coordinating ligands; and (iii) are sensitive to subtle changes in coordination geometry. Two aromatic sandwich complexes, [Pb(benzene)2](2+) and [Pb(toluene)2](2+) have been prepared in the gas phase and their UV action spectra recorded from ions held and cooled in an ion trap. Whilst [Pb(benzene)2](2+) exhibits a spectrum with very little detail, that recorded for [Pb(toluene)2](2+) reveals a rich structure in the wavelength range 220-280 nm. Theory in the form of density functional theory (DFT) shows that both types of complex take the form of hemidirected structures, and that [Pb(toluene)2](2+) can adopt three distinct conformers depending upon the relative positions of the two methyl groups. Further calculations, using adiabatic time-dependent DFT to assign electronic transitions, provide evidence of individual [Pb(toluene)2](2+) conformers having been resolved in the experimental spectrum. Of particular significance for the development of methods for identifying Pb(2+) as an environmental or biological pollutant, is the observation that there are distinct ligand-to-metal charge transfer transitions in the UV that are sensitive to both the geometry and the electronic characteristics of molecules that accommodate the metal ion.

  15. Microwave spectra for the three 13C1 isotopologues of propene and new rotational constants for propene and its 13C1 isotopologues

    Science.gov (United States)

    Craig, Norman C.; Groner, Peter; Conrad, Andrew R.; Gurusinghe, Ranil; Tubergen, Michael J.

    2016-10-01

    New measurements of microwave lines (A and E) of propene and its three 13C1 isotopologues have been made in the 10-22 GHz region with FT accuracy. The revised lines for propene along with many hundreds from the literature were fitted with the ERHAM program for internal rotors to give improved rotational constants. The new constants are A0 = 46280.2904(16), B0 = 9305.24260(30), and C0 = 8134.22685(28) MHz. Lines for the 3-13C1 species were observed in a pure sample; lines for the 1-13C1 and 2-13C1 species were observed in natural abundance. In fitting the limited sets of lines for the 13C1 species, many of the centrifugal distortion constants and most of the tunneling parameters were transferred from the fit of propene itself with 27 parameters. Improved rotational constants for the 13C1 species are reported.

  16. Submillimeter spectroscopy of H$_2$C$^{17}$O and a revisit of the rotational spectra of H$_2$C$^{18}$O and H$_2$C$^{16}$O

    CERN Document Server

    Müller, Holger S P

    2016-01-01

    The rotational spectrum of the formaldehyde isotopologue H2C(17)O was investigated between 0.56 and 1.50 THz using a sample of natural isotopic composition. In addition, transition frequencies were determined for H2C(18)O and H2C(16)O between 1.37 and 1.50 THz. The data were combined with critically evaluated literature data to derive improved sets of spectroscopic parameters which include (17)O or H nuclear hyperfine structure parameters.

  17. Automatic generation of time resolved motion vector fields of coronary arteries and 4D surface extraction using rotational x-ray angiography

    Science.gov (United States)

    Jandt, Uwe; Schäfer, Dirk; Grass, Michael; Rasche, Volker

    2009-01-01

    Rotational coronary angiography provides a multitude of x-ray projections of the contrast agent enhanced coronary arteries along a given trajectory with parallel ECG recording. These data can be used to derive motion information of the coronary arteries including vessel displacement and pulsation. In this paper, a fully automated algorithm to generate 4D motion vector fields for coronary arteries from multi-phase 3D centerline data is presented. The algorithm computes similarity measures of centerline segments at different cardiac phases and defines corresponding centerline segments as those with highest similarity. In order to achieve an excellent matching accuracy, an increasing number of bifurcations is included as reference points in an iterative manner. Based on the motion data, time-dependent vessel surface extraction is performed on the projections without the need of prior reconstruction. The algorithm accuracy is evaluated quantitatively on phantom data. The magnitude of longitudinal errors (parallel to the centerline) reaches approx. 0.50 mm and is thus more than twice as large as the transversal 3D extraction errors of the underlying multi-phase 3D centerline data. It is shown that the algorithm can extract asymmetric stenoses accurately. The feasibility on clinical data is demonstrated on five different cases. The ability of the algorithm to extract time-dependent surface data, e.g. for quantification of pulsating stenosis is demonstrated.

  18. Automatic generation of time resolved motion vector fields of coronary arteries and 4D surface extraction using rotational x-ray angiography

    Energy Technology Data Exchange (ETDEWEB)

    Jandt, Uwe; Schaefer, Dirk; Grass, Michael [Philips Research Europe-Hamburg, Roentgenstr. 24, 22335 Hamburg (Germany); Rasche, Volker [University of Ulm, Department of Internal Medicine II, Robert-Koch-Strasse 8, 89081 Ulm (Germany)], E-mail: ujandt@gmx.de

    2009-01-07

    Rotational coronary angiography provides a multitude of x-ray projections of the contrast agent enhanced coronary arteries along a given trajectory with parallel ECG recording. These data can be used to derive motion information of the coronary arteries including vessel displacement and pulsation. In this paper, a fully automated algorithm to generate 4D motion vector fields for coronary arteries from multi-phase 3D centerline data is presented. The algorithm computes similarity measures of centerline segments at different cardiac phases and defines corresponding centerline segments as those with highest similarity. In order to achieve an excellent matching accuracy, an increasing number of bifurcations is included as reference points in an iterative manner. Based on the motion data, time-dependent vessel surface extraction is performed on the projections without the need of prior reconstruction. The algorithm accuracy is evaluated quantitatively on phantom data. The magnitude of longitudinal errors (parallel to the centerline) reaches approx. 0.50 mm and is thus more than twice as large as the transversal 3D extraction errors of the underlying multi-phase 3D centerline data. It is shown that the algorithm can extract asymmetric stenoses accurately. The feasibility on clinical data is demonstrated on five different cases. The ability of the algorithm to extract time-dependent surface data, e.g. for quantification of pulsating stenosis is demonstrated.

  19. Millimeter Wave and Terahertz Spectra and Global Fit of Torsion-Rotation Transitions in the Ground, First and Second Excited Torsional States of 13CH3OH Methanol

    CERN Document Server

    Xua, Li-Hong; Hao, Yun; Mueller, H S P; Endres, C P; Lewen, F; Schlemmer, S; Menten, K M

    2014-01-01

    Methanol is observed in a wide range of astrophysical sources throughout the universe, and comprehensive databases of the millimeter and THz spectra of CH3OH and its principal isotopologues represent important tools for the astronomical community. A previous combined analysis of microwave and millimeter wave spectra of 13CH3OH together with Fourier transform far-infrared spectra was limited to the first two torsional states, v_t = 0 and 1, for J values up to 20. The limits on frequency and quantum number coverage have recently been extended by new millimeter and THz measurements on several different spectrometers in the Cologne laboratory in the frequency windows 34-70 GHz, 75-120 GHz, 240-340 GHz, 360-450 GHz and 1.12-1.50 THz. With the new data, the global treatment has now been expanded to include the first three torsional states for J values up to 30. The current 13CH3OH data set contains about 2,300 microwave, millimeter-wave, sub-millimeter and THz lines and about 17,100 Fourier-transform far-infrared l...

  20. 原子核转动谱理论若干问题的研究进展%Theoretical Development of the Investigations of Nuclear Rotational Spectra

    Institute of Scientific and Technical Information of China (English)

    徐辅新; 陈永静; 郭建友; 阮图南

    2000-01-01

    简述了转动谱理论若干问题的最新进展,并以Bohr-Mottelson的I(I+1)展开转动谱公式为例,分析了它们对于正常形变带以及超形变带的能谱拟合,参数关系和自旋指定等前沿课题。%The recent development of rotational spectral theory are briefly reviewed. The energy fitting, the parameter - relations and spin determination of normal and superdeformed bands are analyzed by the formula of Bohr-Mottelson's I(I+1)

  1. Exoplanet transits enable high-resolution spectroscopy across spatially resolved stellar surfaces

    CERN Document Server

    Dravins, Dainis; Dahlén, Erik; Pazira, Hiva

    2016-01-01

    Observations of stellar surfaces - except for the Sun - are hampered by their tiny angular extent, while observed spectral lines are smeared by averaging over the stellar surface, and by stellar rotation. Exoplanet transits can be used to analyze stellar atmospheric structure, yielding high-resolution spectra across spatially highly resolved stellar surfaces, free from effects of spatial smearing and the rotational wavelength broadening present in full-disk spectra. During a transit, stellar surface portions successively become hidden, and differential spectroscopy between various transit phases provides spectra of those surface segments then hidden behind the planet. The small area subtended by even a large planet (about 1% of a main-sequence star) offers high spatial resolution but demands very precise observations. We demonstrate the reconstruction of photospheric FeI line profiles at a spectral resolution R=80,000 across the surface of the solar-type star HD209458. Any detailed understanding of stellar at...

  2. Application of an Aligned and Unaligned Signal Processing Technique to Investigate Tones and Broadband Noise in Fan and Contra-Rotating Open Rotor Acoustic Spectra

    Science.gov (United States)

    Miles, Jeffrey Hilton; Hultgren, Lennart S.

    2015-01-01

    The study of noise from a two-shaft contra-rotating open rotor (CROR) is challenging since the shafts are not phase locked in most cases. Consequently, phase averaging of the acoustic data keyed to a single shaft rotation speed is not meaningful. An unaligned spectrum procedure that was developed to estimate a signal coherence threshold and reveal concealed spectral lines in turbofan engine combustion noise is applied to fan and CROR acoustic data in this paper (also available as NASA/TM-2015-218865). The NASA Advanced Air Vehicles Program, Advanced Air Transport Technology Project, Aircraft Noise Reduction Subproject supported the current work. The fan and open rotor data were obtained under previous efforts supported by the NASA Quiet Aircraft Technology (QAT) Project and the NASA Environmentally Responsible Aviation (ERA) Project of the Integrated Systems Research Program in collaboration with GE Aviation, respectively. The overarching goal of the Advanced Air Transport (AATT) Project is to explore and develop technologies and concepts to revolutionize the energy efficiency and environmental compatibility of fixed wing transport aircrafts. These technological solutions are critical in reducing the impact of aviation on the environment even as this industry and the corresponding global transportation system continue to grow.

  3. Faraday rotation measure synthesis

    NARCIS (Netherlands)

    Brentjens, MA; de Bruyn, AG

    2005-01-01

    We extend the rotation measure work of Burn ( 1966, MNRAS, 133, 67) to the cases of limited sampling of lambda(2) space and non-constant emission spectra. We introduce the rotation measure transfer function (RMTF), which is an excellent predictor of n pi ambiguity problems with the lambda(2) coverag

  4. Rotationally Resolved Cross Sections Measurement for K(6S) + H2→KH + H Reaction%K(6S)+H2→KH+H转动分辨反应截面的测量

    Institute of Scientific and Technical Information of China (English)

    王倩; 吉建强; 沈异凡; 戴康

    2012-01-01

    Using pump-probe method and optical absorption technique,we have measured the nascent quantum state distributions of the KH product and the cross sections for reaction of K(6S) with H2.The K(6S) state was excited with a pulsed laser by two-photon absorption.The nascent rotational distributions of KH(v=0,1) were determined from laserinduced fluorescence spectrum.The rotational population profiles were roughly consistent with a statistical distribution at the cell temperature.The densities of K(6S) atoms were evaluated directly from the pump laser energy loss which was absorbed by K atoms.The densities of KH molecules were measured by monitoring the absorption of a counter-propagating probe laser beam,tuned to X1∑+-A1∑+ transitions.Using a rate equation model,we obtained rotationally resolved reaction cross sections.The total cross sections obtained by summing the individual rotationally resolved cross sections are σ(v =0) =(1.3 + 0.5) × 10-16cm2 and σ(v =1) =(0.05 + 0.02) × 10-16cm2,respectively.%利用泵浦-检测技术和光学吸收技术,对K(6S)与H2反应生成的初生态产物KH(X1∑+,v=0,1)的转动态分布和反应截面作了测量.脉冲激光双光子激发K原子至K(6S)态,通过泵浦-探测技术确定了KH(X1∑+,v=0,1)初生态的转动分布,转动分布接近样品池温时的统计分布.通过测量泵浦激光的能量损失确定K(6S)态原子密度,测量检测激光的吸收系数得到反应产物KH分子的密度,由速率方程分析可以得到转动分辨的反应截面,总的反应截面为所有转动分辨的反应截面之和,得到的反应截面分别为(1.3+0.5)× 10-16cm2(对v=0)和(0.05±0.02)×10-16cm2(对v=1).

  5. An analysis of the methyl rotation dynamics in the S0 (X˜ 1A1) and T1 (ã 3A2) states of thioacetone, (CH3)2CS and (CD3)2CS from pyrolysis jet spectra

    Science.gov (United States)

    Moule, D. C.; Smeyers, Y. G.; Senent, M. L.; Clouthier, D. J.; Karolczak, J.; Judge, R. H.

    1991-09-01

    Jet-cooled, laser-induced phosphorescence excitation spectra (LIP) of thioacetone (CH3)2CS/(CD3)2CS have been recorded over the region 16 800-18 500 cm-1 using the pyrolysis jet spectroscopic technique. The responsible electronic transition, T1←S0, ã 3A`←X˜ 1A1, results from an n→π* electron promotion and gives rise to a pattern of vibronic bands that were attributed to activity of the methyl torsion and the sulphur out-of-plane wagging modes. The intensities of the torsional and wagging progressions in the excitation spectra were interpreted in terms of a C2v-Cs molecular distortion of the triplet molecule from its singlet ground state equilibrium structure. A complete unrestricted Hartree-Fock (UHF) ab initio molecular orbital (MO) structural optimization of the T1 state predicted that the sulphur was displaced by 27.36° from the molecular plane and the methyl groups were rotated by 10.93° in clockwise-counterclockwise directions. Restricted Hartree-Fock (RHF) calculations were used to generate the V(θ1,θ2) potential surface governing methyl rotation for the S0 state. This was incorporated into a two-dimensional Hamiltonian, symmetrized for the G36 point group and solved variationally for the torsional frequencies. The calculated frequencies of 159.97/118.94 for the ν17(b1) mode of S0 (CH3)2CS/(CD3)2CS were found to agree with the experimental values, 153.2/114.7 cm-1.

  6. Fabry-Perot enhanced Faraday rotation in graphene.

    Science.gov (United States)

    Ubrig, Nicolas; Crassee, Iris; Levallois, Julien; Nedoliuk, Ievgeniia O; Fromm, Felix; Kaiser, Michl; Seyller, Thomas; Kuzmenko, Alexey B

    2013-10-21

    We demonstrate that giant Faraday rotation in graphene in the terahertz range due to the cyclotron resonance is further increased by constructive Fabry-Perot interference in the supporting substrate. Simultaneously, an enhanced total transmission is achieved, making this effect doubly advantageous for graphene-based magneto-optical applications. As an example, we present far-infrared spectra of epitaxial multilayer graphene grown on the C-face of 6H-SiC, where the interference fringes are spectrally resolved and a Faraday rotation up to 0.15 radians (9°) is attained. Further, we discuss and compare other ways to increase the Faraday rotation using the principle of an optical cavity.

  7. Rotational spectra and properties of complexes B···ICF3 (B = Kr or CO) and a comparison of the efficacy of ICl and ICF3 as iodine donors in halogen bond formation.

    Science.gov (United States)

    Stephens, Susanna L; Walker, Nicholas R; Legon, Anthony C

    2011-12-14

    The ground-state rotational spectra of two weakly bound complexes B···ICF(3) (B = Kr or CO) formed by trifluoroiodomethane have been observed in pulsed jets by using two types of Fourier-transform microwave spectroscopy (chirped-pulse and Fabry-Perot cavity). Both complexes exhibit symmetric-top type spectra, thus indicating that the Kr atom in Kr···ICF(3) and both the C and O atoms in OC···ICF(3) lie along the C(3) axis of ICF(3). The rotational constant B(0), the centrifugal distortion constants D(J) and D(JK), and the iodine nuclear quadrupole coupling constant χ(aa)(I) were determined for each of the isotopologues (84)Kr···ICF(3), (86)Kr···ICF(3), (16)O(12)C···ICF(3), (16)O(13)C···ICF(3), and (18)O(12)C···ICF(3). Interpretation of the spectroscopic constants reveals that the carbon atom of CO is adjacent to I and participates in the weak bond in OC···ICF(3). Simple models based on unperturbed component geometries lead to the distances r(Kr···I) = 3.830(1) Å and r(C···I) = 3.428(1) Å in Kr···ICF(3) and OC···ICF(3), respectively, and to the quadratic force constants for stretching of the weak bond k(σ) = 2.80 N m(-1) and 3.96 N m(-1), respectively. The distances r(Z···I) (Z is the acceptor atom in B), the k(σ) values, and the angular geometries of the pair of complexes B···ICF(3) and B···ICl for a given B are compared when B = Kr, CO, H(2)O, H(2)S, or NH(3). The comparison reveals that the iodine bond in B···ICF(3) is systematically longer and weaker than that of B···ICl, while the angular geometry of the B···I moiety is isomorphic in B···ICF(3) and B···ICl for a given B. It is concluded that -CF(3) is less effective than -Cl as an electron-withdrawing group when attached to an I atom and that the angular geometries of the B···ICF(3) can be predicted by means of a simple rule that holds for many hydrogen- and halogen-bonded complexes.

  8. Cs(6D5/2)+H2→CsH[X1∑+(v,J)]+H转动分辨总截面的测量%Measurement of the rotationally resolved total cross sections for the Cs ( 6D5/2 ) + H2 →CsH [X1 ∑ + ( v, J) ] -+ H reaction

    Institute of Scientific and Technical Information of China (English)

    栾楠楠; 张利平; 蔡勤; 戴康; 沈异凡

    2011-01-01

    利用泵浦-检测方法,在样品池条件下,研究了Cs(6D5/2)与H2反应碰撞传能过程.利用激光感应荧光(LIF)光谱技术,确定了CsH[X1∑+(v,J)]振转能级上的布居分布,转动态分布与热统计分布基本一致.Cs激发态原子密度由激光能量吸收得到.记录A1∑+(v',J+1)→X1∑+(v,J)的时间分辨荧光,从荧光强度的对数值给出的直线斜率确定(v',J+1)→(v,J)的自然辐射率,结合(v,J)→(v',J+1)吸收系数的测量,得到反应生成物CsH[x1∑+(v,J)]态的分子密度.由速率方程分析,给出反应截面σ(v,J),对J求和,得到σ(v)[10-16 cm2单位]分别为(0.64士0.19)(v=0)和(0.58士0.17)(v=1).%Using a pump-probe method, the reaction of Cs(6D5/2) with H2 in a crossed heat pipe oven has been studied. The nascent rotational distributions of Cs[x1 Σ+ (v=0,1;J)] were determined from laser induced fluorescence (LIF) spectra. The rotational population profile was roughly consistent with a statistical distribution at the system temperature. The decay signal of time resolved fluorescence from A1 Σ+ (v',J+1)→x1 Σ+ (v,J) transition was monitored. The semilog plot of the time resolved fluorescence was shown. The slope yielded the transition probability. The densities of the Cs(6D5/2) atoms excited by the pulse laser beam were evaluated directly from the laser energy loss which was absorbed by Cs atoms. The densities of CsH[x1Σ+ (v,J)] molecules were measured the absorption of the probe laser beam, reduced to 10 nJ using neutral density filters. Using a rote equation model, reactive cross sectionsσ (v,J) have been obtained. The cross sections σ (v) are yielded by summing the individual cross sections σ (v,J). The cross sections(in units of 10-16cm2) are (0.64±0.19) for v being 0 and (0.58±0.17) for v being 1, respectively.

  9. Area spectrum of slowly rotating black holes

    OpenAIRE

    2010-01-01

    We investigate the area spectrum for rotating black holes which are Kerr and BTZ black holes. For slowly rotating black holes, we use the Maggiore's idea combined with Kunstatter's method to derive their area spectra, which are equally spaced.

  10. Optical high-resolution analysis of rotational movement: testing circular spatial filter velocimetry (CSFV) with rotating biological cells

    Science.gov (United States)

    Schaeper, M.; Schmidt, R.; Kostbade, R.; Damaschke, N.; Gimsa, J.

    2016-07-01

    Circular spatial filtering velocimetry (CSFV) was tested during the microscopic registration of the individual rotations of baker’s yeast cells. Their frequency-dependent rotation (electrorotation; ER) was induced in rotating electric fields, which were generated in a glass chip chamber with four electrodes (600 μm tip-to-tip distance). The electrodes were driven with sinusoidal quadrature signals of 5 or 8 V PP with frequencies up to 3 MHz. The observed cell rotation was of the order of 1-100 s per revolution. At each measuring frequency, the independent rotations of up to 20 cells were simultaneously recorded with a high-speed camera. CSFV was software-implemented using circular spatial filters with harmonic gratings. ER was proportional to the phase shift between the values of the spatial filtering signal of consecutive frames. ER spectra obtained by CSFV from the rotation velocities at different ER-field frequencies agreed well with manual measurements and theoretical spectra. Oscillations in the rotation velocity of a single cell in the elliptically polarized field near an electrode, which were resolved by CSFV, could not be visually discerned. ER step responses after field-on were recorded at 2500 frames per second. Analysis proved the high temporal resolution of CSFV and revealed a largely linear torque-friction relation during the acceleration phase of ER. Future applications of CSFV will allow for the simple and cheap automated high-resolution analysis of rotational movements where mechanical detection has too low a resolution or is not possible, e.g. in polluted environments or for gas and fluid vortices, microscopic objects, etc.

  11. Fast computation of morphological area pattern spectra

    NARCIS (Netherlands)

    Meijster, Arnold; Wilkinson, Michael H.F.

    2001-01-01

    An area based counterpart of the binary structural opening spectra is developed It is shown that these area opening and closing spectra can be computed using an adaptation of Tarjan's union-find algorithm These spectra provide rotation, translation, and scale invariant pattern vectors for texture

  12. Rotational and vibrational spectra of quantum rings

    OpenAIRE

    Koskinen, M.; Manninen, M.; Mottelson, B.; Reimann, S. M.

    2000-01-01

    One can confine the two-dimensional electron gas in semiconductor heterostructures electrostatically or by etching techniques such that a small electron island is formed. These man-made ``artificial atoms'' provide the experimental realization of a text-book example of many-particle physics: a finite number of quantum particles in a trap. Much effort was spent on making such "quantum dots" smaller and going from the mesoscopic to the quantum regime. Far-reaching analogies to the physics of at...

  13. Nonlinear two-dimensional terahertz photon echo and rotational spectroscopy in the gas phase

    CERN Document Server

    Lu, Jian; Hwang, Harold Y; Ofori-Okai, Benjamin K; Fleischer, Sharly; Nelson, Keith A

    2016-01-01

    Ultrafast two-dimensional spectroscopy utilizes correlated multiple light-matter interactions for retrieving dynamic features that may otherwise be hidden under the linear spectrum. Its extension to the terahertz regime of the electromagnetic spectrum, where a rich variety of material degrees of freedom reside, remains an experimental challenge. Here we report ultrafast two-dimensional terahertz spectroscopy of gas-phase molecular rotors at room temperature. Using time-delayed terahertz pulse pairs, we observe photon echoes and other nonlinear signals resulting from molecular dipole orientation induced by three terahertz field-dipole interactions. The nonlinear time-domain orientation signals are mapped into the frequency domain in two-dimensional rotational spectra which reveal J-state-resolved nonlinear rotational dynamics. The approach enables direct observation of correlated rotational transitions and may reveal rotational coupling and relaxation pathways in the ground electronic and vibrational state.

  14. Comparative Study of Ultraviolet Laser-Based Time-Resolved Photoacoustic Fingerprint Spectra and Thermal Decomposition Mechanisms of Energetic 1,2,3-1H-Triazole Derivatives Under Controlled Pyrolysis.

    Science.gov (United States)

    Rao, Konda Srinivasa; Chaudhary, Anil Kumar

    2017-01-01

    We report the comparative study of photoacoustic (PA) fingerprint spectra, thermal decomposition, and stability mechanism of some phenyl and bis series energetic compounds named 1-(2-methoxy,-3,5-dinitrophenyl)-1H-1,2,3-triazole ( S5), 1-(3-methoxy, 2, 6 dinitrophenyl) 1H-1, 2, 3 triazole ( S10), 1-(4-nitrophenyl)-1H-1,2,3-triazole ( S8), and 2,6-bis ((4-(nitromethyl)-1H-1,2,3-triazol-1-yl)methyl) pyridine ( S9). Fourth harmonic wavelength, i.e., 266 nm of pulse duration 7 ns and 10 Hz repetition rate obtained from Q-switched Nd: YAG laser, was used to record the thermal PA spectra of these compounds under controlled pyrolysis condition in the range of 30-350 ℃. The PA fingerprint spectra are produced due to entire molecule vapor along with principal functional byproduct NO2 molecule. NO2 molecule is a major gas released during thermal decomposition due to weakest nature of C-NO2 bond. Further, NO2 molecules are involved in photodissociation process due to π*← n transition and converted into NO molecules inside the PA cell due to excitation by 266 nm wavelength. The combined results of PA and gas chromatography-mass spectrometry (GC-MS) spectra along with thermo gravimetric-differential thermal analysis (TG-DTA) data confirm the thermal decomposition mechanism process that can be completed in multiple steps. In addition, GC-MS spectra also confirm the release of NO and NO2 molecules. The effect of incident laser energy and data acquisition time has been carried out for understanding the behavior of acoustic modes. Finally, the thermal quality factor "Q" is measured to test the stability of compounds.

  15. Time-resolved spectroscopic measurements behind incident and reflected shock waves in air and xenon

    Science.gov (United States)

    Yoshinaga, T.

    1973-01-01

    Time-resolved spectra have been obtained behind incident and reflected shock waves in air and xenon at initial pressures of 0.1 and 1.0 torr using a rotating drum spectrograph and the OSU (The Ohio State University) arc-driven shock tube. These spectra were used to determine the qualitative nature of the flow as well as for making estimates of the available test time. The (n+1,n) and (n,n) band spectra of N2(+) (1st negative) were observed in the test gas behind incident shock waves in air at p1=1.0 torr and Us=9-10 km/sec. Behind reflected shock waves in air, the continuum of spectra appeared to cover almost the entire wavelength of 2,500-7,000 A for the shock-heated test gas. For xenon, the spectra for the incident shock wave cases for p1=0.1 torr show an interesting structure in which two intensely bright regions are witnessed in the time direction. The spectra obtained behind reflected shock waves in xenon were also dominated by continuum radiation but included strong absorption spectra due to FeI and FeII from the moment the reflected shock passed and on.

  16. Diagnóstico de Fallas en Máquinas Eléctricas Rotatorias Utilizando la Técnica de Espectros de Frecuencia de Bandas Laterales Fault Diagnosis in Rotating Electrical Machines by Side Bands Frequency Spectra Technique

    Directory of Open Access Journals (Sweden)

    Roberto Flores

    2011-01-01

    Full Text Available En el presente trabajo se muestra y se aplica una metodología para el diagnóstico de fallas en máquinas eléctricas rotatorias utilizando la técnica de espectros de frecuencia de bandas laterales de las corrientes de fase. Se establecen sistemas de prueba de laboratorio para verificar las magnitudes de las bandas originadas por fallas tanto mecánicas como eléctricas. Se muestra una serie de resultados para un grupo motor de corriente directa-generador síncrono de 5 kVA desalineado y de dos motores de inducción de 5 HP tipo jaula de ardilla, uno con holgura en soporte de baleros y otro con barras rotas. Además, se comparan los resultados de los espectros empleando un sensor de corriente convencional contra una bobina de Rogowski, obteniendo resultados adecuados para detectar la presencia de falla en las máquinas.In this article a methodology to diagnose faults in rotating electrical machines is presented. The method uses spectral frequency analysis of the phase currents sidebands. Online systems to verify the magnitude of these frequencies, caused not only by mechanical faults but also electrical faults, are presented. The results of a faulty set formed by a direct current motor plus a synchronous generator of 5 kVA and two squirrel-cage induction motors of 5 HP, one with slacked bearings faults and other with broken rotor bars, are presented. Also, the results of the spectra using a conventional current sensor are compared with those of a Rogowski coil, showing that the results of both sensors are suitable to detect machine faults.

  17. Bond Stretching Phonon Softening And Kinks in the Angle-Resolved Photoemission Spectra of Optimally Doped Bi(2)Sr(1.6)La(0.4)Cu(2)O(6)+-Delta Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Graf, J.; d' Astuto, M.; Jozwiak, C.; Garcia, D.R.; Saini, N.L.; Krisch, M.; Ikeuchi, K.; Baron, A.Q.R.; Eisaki, H.; Lanzara, A.

    2009-05-19

    We report the first measurement of the Cu-O bond stretching phonon dispersion in optimally doped Bi{sub 2}Sr{sub 1.6}La{sub 0.4}Cu{sub 2}O{sub 6+{delta}} using inelastic x-ray scattering. We found a softening of this phonon at q = ({approx} 0.25, 0, 0) from 76 to 60 meV, similar to the one reported in other cuprates. A comparison with angle-resolved photoemission data on the same sample revealed an excellent agreement in terms of energy and momentum between the angle-resolved photoemission nodal kink and the soft part of the bond stretching phonon. Indeed, we find that the momentum space where a 63 {+-} 5 meV kink is observed can be connected with a vector q = ({zeta}, 0, 0) with {zeta} {ge} 0.22, corresponding exactly to the soft part of the bond stretching phonon.

  18. State-by-state emission spectra fitting for non-equilibrium plasmas: OH spectra of surface barrier discharge at argon/water interface

    Science.gov (United States)

    Voráč, Jan; Synek, Petr; Procházka, Vojtěch; Hoder, Tomáš

    2017-07-01

    Optical emission spectroscopy applied to non-equilibrium plasmas in molecular gases can give important information on basic plasma parameters, including the rotational and vibrational temperatures and densities of the investigated radiative states. In order to precisely understand the non-equilibrium of rotational-vibrational state distribution from the investigated spectra without limiting presumptions, a state-by-state temperature-independent fitting procedure is the ideal approach. In this paper, we present a novel software tool developed for this purpose, freely available for the scientific community. The introduced tool offers a convenient way to construct Boltzmann plots even from partially overlapping spectra, in a user-friendly environment. We apply the novel software to the challenging case of OH spectra in surface streamer discharges generated from the triple-line of the argon/water/dielectrics interface. After the barrier discharge is characterised by ICCD and electrical measurements, the spatially and phase resolved rotational temperatures from N2(C-B) and OH(A-X) spectra are determined and compared. The precise analysis shows that OH(A) states with quantum numbers ≤ft({{v}\\prime}=0,~9≤slant {{N}\\prime}≤slant 13\\right) are overpopulated with respect to the found two-Boltzmann distribution. We hypothesise that fast vibrational-energy transfer is responsible for this phenomenon, observed here for the first time. Finally, the vibrational temperature of the plasma and the relative populations of hot and cold OH(A) states are quantified spatially and phase resolved.

  19. Inequality spectra

    Science.gov (United States)

    Eliazar, Iddo

    2017-03-01

    Inequality indices are widely applied in economics and in the social sciences as quantitative measures of the socioeconomic inequality of human societies. The application of inequality indices extends to size-distributions at large, where these indices can be used as general gauges of statistical heterogeneity. Moreover, as inequality indices are plentiful, arrays of such indices facilitate high-detail quantification of statistical heterogeneity. In this paper we elevate from arrays of inequality indices to inequality spectra: continuums of inequality indices that are parameterized by a single control parameter. We present a general methodology of constructing Lorenz-based inequality spectra, apply the general methodology to establish four sets of inequality spectra, investigate the properties of these sets, and show how these sets generalize known inequality gauges such as: the Gini index, the extended Gini index, the Rényi index, and hill curves.

  20. Rotational Doppler Effect: A Probe for Molecular Orbitals Anisotropy.

    Science.gov (United States)

    Miao, Quan; Travnikova, Oksana; Gel'mukhanov, Faris; Kimberg, Victor; Sun, Yu-Ping; Thomas, T Darrah; Nicolas, Christophe; Patanen, Minna; Miron, Catalin

    2015-05-01

    The vibrationally resolved X-ray photoelectron spectra of X2Σg+(3σg−1) and B2Σu+(2σu−1) states of N2+ were recorded for different photon energies and orientations of the polarization vector. Clear dependencies of the spectral line widths on the X-ray polarization as well as on the symmetry of the final electronic states are observed. Contrary to the translational Doppler, the rotational Doppler broadening is sensitive to the photoelectron emission anisotropy. On the basis of theoretical modeling, we suggest that the different rotational Doppler broadenings observed for gerade and ungerade final states result from a Young's double-slit interference phenomenon.

  1. Development of dual-broadband rotational CARS for combustion diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Bood, Joakim

    2000-06-01

    The present thesis concerns development and application of dual-broadband rotational coherent anti-Stokes Raman spectroscopy (DB-RCARS) for temperature and species concentration measurements in combustion processes. Both fundamental development of the technique, including experimental as well as modelling results, and measurements in practical combustion devices were conducted. A code for calculation of rotational CARS spectra of pure acetylene as well as mixtures of acetylene and nitrogen was developed. Using this code, temperatures and relative acetylene to nitrogen concentrations were evaluated from DB-RCARS measurements in pure acetylene and different acetylene/nitrogen mixtures. Moreover, rotational CARS spectra of dimethyl-ether (DME) have been analyzed. A powerful tool for simultaneous temperature and multiple species concentration measurements was developed by combining rotational CARS with vibrational CARS. The concept was demonstrated for measurements of temperature, oxygen, and carbon monoxide concentrations simultaneously in a premixed sooting ethene/air flame. Rotational CARS spectra of nitrogen at very high pressures (0.1-44 MPa) at room temperature were investigated. The experimental spectra were compared with calculated spectra using different Raman linewidth models. The results indicate some shortcomings in the present model, basically the density calculation and neglecting overlapping effects between adjacent spectral lines. A new method for CARS measurements in several spatially separated points simultaneously was developed. By using DB-RCARS the method was demonstrated for quantitative measurements of profiles of temperatures and oxygen concentrations. An atomic filter for rejection of stray light was developed. The filter was shown to efficiently reject stray light from the narrowband laser without affecting the shape of the rotational CARS spectrum or causing any signal losses. Within an interdisciplinary project intended to increase the

  2. Rotating samples in FT-RAMAN spectrometers

    Science.gov (United States)

    De Paepe, A. T. G.; Dyke, J. M.; Hendra, P. J.; Langkilde, F. W.

    1997-11-01

    It is customary to rotate samples in Raman spectroscopy to avoid absorption or sample heating. In FT-Raman experiments the rotation is always shown (typically 30-60 rpm) because higher speeds are thought to generate noise in the spectra. In this article we show that more rapid rotation is possible. A tablet containing maleic acid and one made up of sub-millimetre silica particles with metoprolol succinate as active ingredient were rotated at different speeds, up to 6760 rpm. The FT-Raman spectra were recorded and studied. We conclude that it is perfectly acceptable to rotate samples up to 1500 rpm.

  3. Analysis of multi-layer ERBS spectra

    Energy Technology Data Exchange (ETDEWEB)

    Marmitt, G.G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Rosa, L.F.S. [Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Nandi, S.K. [Electronic Materials Engineering Department, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia); Research School of Astronomy and Astrophysics, The Australian National University, Canberra, ACT 2611 (Australia); Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh); Vos, M., E-mail: maarten.vos@anu.edu.au [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, The Australian National University, Canberra 0200 (Australia)

    2015-07-15

    Highlights: • Electron Rutherford backscattering (ERBS) spectra are presented. • The spectra are fitted based on physical meaningful quantities. • Very consistent results are obtained for spectra taken under different conditions. • This establishes that ERBS can be used to measure film thicknesses. - Abstract: A systematic way of analysis of multi-layer electron Rutherford backscattering spectra is described. The approach uses fitting in terms of physical meaningful parameters. Simultaneous analysis then becomes possible for spectra taken at different incoming energies and measurement geometries. Examples are given to demonstrate the level of detail that can be resolved by this technique.

  4. Rotational splittings for slow to moderate rotators: Latitudinal dependency or higher order effects in \\Omega?

    CERN Document Server

    Ouazzani, R-M

    2012-01-01

    Information about the rotation rate is contained in the low frequency part of power spectra, where signatures of nonuniform surface rotation are expected, as well as in the frequency splittings induced by the internal rotation rate. We wish to figure out whether the differences between the seismic rotation period as determined by a mean rotational splitting, and the rotation period measured from the low frequency peak in the Fourier spectrum (observed for some of CoRoT's targets) can provide constraints on the rotation profile. For uniform moderate rotators,perturbative corrections to second and third order in terms of the rotation angular velocity \\Omega, may mimic differential rotation. We apply our perturbation method to evaluate mode frequencies accurate up to \\Omega^3 for uniform rotation. Effects of latitudinal dependence are calculated in the linear approximation. In \\beta Cephei pulsators models, third order effects become comparable to that of a horizontal shear similar to the solar one at rotation r...

  5. Jet Cooled Rotational Studies of Dipeptides

    Science.gov (United States)

    Cabezas, C.; Mata, M. Varela S.; López, J. C.; Alonso, J. L.

    2011-06-01

    Rotational spectra of Gly-Pro and Pro-Gly dipeptides have been examined with laser ablation molecular beam Fourier transform microwave (LA-MB-FTMW) spectroscopy. Three conformers for Gly-Pro and one for Pro-Gly have been unequivocally identified in the supersonic expansion by the comparison of the experimental rotational and 14N (I=1) nuclear quadrupole coupling constants with those predicted by ab initio methods. The quadrupole hyperfine structure of two 14N nuclei has been totally resolved and it allows to experimentally characterize the main intramolecular forces which stabilize the assigned conformers. The biomimetic molecule Ac-Ala-NH_2 has been also studied. The C_7 and C_5 peptide conformations (intramolecularly hydrogen-bonded seven- or five-membered cycle, respectively) have been unequivocally identified in the supersonic expansion. The ability to identify peptide conformations suggest that it soon may be possible to explore the structures of larger peptides using LA-MB-FTMW spectroscopy. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11,617-627 (2009)and references therein

  6. Project CARDS technical information record: parametric and sensitivity analysis and determination of response spectra for horizontal, vertical and rotational motion of a radioactive material shipping package relative to the motion of its support (railcar). Part 2. Continuation of CARDS-TIR-80-3 (Preliminary)

    Energy Technology Data Exchange (ETDEWEB)

    Fields, S.R.

    1980-11-26

    The generation of the response spectra was coupled to a parametric and sensitivity analysis. Support accelerations and tiedown forces are presented as functions of time. The parametric analysis found that the horizontal acceleration of the support and the MAR (max absolute relative) horizontal acceleration are relatively insensitive, while the corresponding vertical accelerations are highly sensitive to changes in 4 of the 13 parameters, and the corresponding rotational accelerations are highly sensitive to changes in 8 of the 13 parameters. The tiedown forces are moderately sensitive to changes in 3 of the parameters. (DLC)

  7. Advances in physical study of high enthalpy plasma jets of technological interest: emission spectra and plasma characteristics

    Science.gov (United States)

    Belevtsev, A. A.; Chinnov, V. F.; Isakaev, E. Kh.; Markin, A. V.; Tazikova, T. F.; Tereshkin, S. A.

    1998-10-01

    Offers a comprehensive study of the emission spectra and plasma characteristics of high enthalpy atmospheric pressure argon and nitrogen jets produced by a high- current industrially important arc plasmatron with a vortex stabilized channel-anode (I4g/s, jet diameter at a minimum-6mm). The spectra are taken at different distances from the cathode in the 200-950nm region with a spectral resolution=3D0.01nm allowing a fine structure of vibronic bands to be essentially resolved except that due to the dublet (spin) splitting and Λ-doubling. Also derived (through the Abel inversion) are radial distributions of plasma components. The spectra obtained have been used for determining plasma composition, the electron component parameters (by atomic/ionic Stark half-widths and intensities) and the assessment of rotational and vibrational temperatures by simulating molecular bands.

  8. Rotating flow

    CERN Document Server

    Childs, Peter R N

    2010-01-01

    Rotating flow is critically important across a wide range of scientific, engineering and product applications, providing design and modeling capability for diverse products such as jet engines, pumps and vacuum cleaners, as well as geophysical flows. Developed over the course of 20 years' research into rotating fluids and associated heat transfer at the University of Sussex Thermo-Fluid Mechanics Research Centre (TFMRC), Rotating Flow is an indispensable reference and resource for all those working within the gas turbine and rotating machinery industries. Traditional fluid and flow dynamics

  9. NMR system and method having a permanent magnet providing a rotating magnetic field

    Science.gov (United States)

    Schlueter, Ross D [Berkeley, CA; Budinger, Thomas F [Berkeley, CA

    2009-05-19

    Disclosed herein are systems and methods for generating a rotating magnetic field. The rotating magnetic field can be used to obtain rotating-field NMR spectra, such as magic angle spinning spectra, without having to physically rotate the sample. This result allows magic angle spinning NMR to be conducted on biological samples such as live animals, including humans.

  10. Rapidly rotating red giants

    CERN Document Server

    Gehan, Charlotte; Michel, Eric

    2016-01-01

    Stellar oscillations give seismic information on the internal properties of stars. Red giants are targets of interest since they present mixed modes, which behave as pressure modes in the convective envelope and as gravity modes in the radiative core. Mixed modes thus directly probe red giant cores, and allow in particular the study of their mean core rotation. The high-quality data obtained by CoRoT and Kepler satellites represent an unprecedented perspective to obtain thousands of measurements of red giant core rotation, in order to improve our understanding of stellar physics in deep stellar interiors. We developed an automated method to obtain such core rotation measurements and validated it for stars on the red giant branch. In this work, we particularly focus on the specific application of this method to red giants having a rapid core rotation. They show complex spectra where it is tricky to disentangle rotational splittings from mixed-mode period spacings. We demonstrate that the method based on the id...

  11. Rotating Wavepackets

    Science.gov (United States)

    Lekner, John

    2008-01-01

    Any free-particle wavepacket solution of Schrodinger's equation can be converted by differentiations to wavepackets rotating about the original direction of motion. The angular momentum component along the motion associated with this rotation is an integral multiple of [h-bar]. It is an "intrinsic" angular momentum: independent of origin and…

  12. Rotational elasticity

    Science.gov (United States)

    Vassiliev, Dmitri

    2017-04-01

    We consider an infinite three-dimensional elastic continuum whose material points experience no displacements, only rotations. This framework is a special case of the Cosserat theory of elasticity. Rotations of material points are described mathematically by attaching to each geometric point an orthonormal basis that gives a field of orthonormal bases called the coframe. As the dynamical variables (unknowns) of our theory, we choose the coframe and a density. We write down the general dynamic variational functional for our rotational theory of elasticity, assuming our material to be physically linear but the kinematic model geometrically nonlinear. Allowing geometric nonlinearity is natural when dealing with rotations because rotations in dimension three are inherently nonlinear (rotations about different axes do not commute) and because there is no reason to exclude from our study large rotations such as full turns. The main result of the talk is an explicit construction of a class of time-dependent solutions that we call plane wave solutions; these are travelling waves of rotations. The existence of such explicit closed-form solutions is a non-trivial fact given that our system of Euler-Lagrange equations is highly nonlinear. We also consider a special case of our rotational theory of elasticity which in the stationary setting (harmonic time dependence and arbitrary dependence on spatial coordinates) turns out to be equivalent to a pair of massless Dirac equations. The talk is based on the paper [1]. [1] C.G.Boehmer, R.J.Downes and D.Vassiliev, Rotational elasticity, Quarterly Journal of Mechanics and Applied Mathematics, 2011, vol. 64, p. 415-439. The paper is a heavily revised version of preprint https://arxiv.org/abs/1008.3833

  13. Confirmation of bistable stellar differential rotation profiles

    CERN Document Server

    Käpylä, P J; Brandenburg, A

    2014-01-01

    (abridged) Context: Solar-like differential rotation is characterized by a rapidly rotating equator and slower poles. However, theoretical models and numerical simulations can also result in a slower equator and faster poles when the overall rotation is slow. Aims: We study the critical rotational influence under which differential rotation flips from solar-like (fast equator, slow poles) to an anti-solar one (slow equator, fast poles). We also estimate the non-diffusive ($\\Lambda$-effect) and diffusive (turbulent viscosity) contributions to the Reynolds stress. Methods: We perform three-dimensional numerical simulations of mildly turbulent convection in spherical wedge geometry. We regulate the convective velocities by varying the amount of heat transported by thermal conduction, turbulent diffusion, and resolved convection. Results: Increasing the efficiency of resolved convection leads to a reduction of the rotational influence on the flow and a sharp transition from solar-like to anti-solar differential r...

  14. Tachometer Derived From Brushless Shaft-Angle Resolver

    Science.gov (United States)

    Howard, David E.; Smith, Dennis A.

    1995-01-01

    Tachometer circuit operates in conjunction with brushless shaft-angle resolver. By performing sequence of straightforward mathematical operations on resolver signals and utilizing simple trigonometric identity, generates voltage proportional to rate of rotation of shaft. One advantage is use of brushless shaft-angle resolver as main source of rate signal: no brushes to wear out, no brush noise, and brushless resolvers have proven robustness. No switching of signals to generate noise. Another advantage, shaft-angle resolver used as shaft-angle sensor, tachometer input obtained without adding another sensor. Present circuit reduces overall size, weight, and cost of tachometer.

  15. a Continuous Supersonic Expansion Discharge Nozzle for Rotationally Cold Ions

    Science.gov (United States)

    Kauffman, Carrie A.; Crabtree, Kyle N.; McCall, Benjamin J.

    2009-06-01

    Molecular ions play an important role in chemistry and astronomy. In particular, molecular ions are key reaction intermediates, and in the interstellar medium, where temperatures and densities are low, they dominate the chemistry. Studying these ions spectroscopically in the laboratory poses a difficult challenge due to their reactivity. In our effort to study molecular ions, our research group is building SCRIBES (Sensitive Cooled Resolved Ion BEam Spectroscopy), which combines a cold ion source, mass spectrometry, and cavity ring-down spectroscopy. With this apparatus, we will be able to record rotationally-resolved gas-phase spectra, enabling interstellar searches for these species. The SCRIBES instrument requires a source of rotationally cold ions, and this has been accomplished by coupling a supersonic expansion with an electric discharge. Other groups (e.g. Thaddeus and McCarthy at Harvard, Salama et. al at NASA-Ames) have produced cold ions in a similar fashion, but always with a pulsed discharge source. Due to our need for a continuous ion source for SCRIBES, we have designed a continuous supersonic expansion discharge nozzle. We will discuss the various design factors considered during the construction of our continuous self-aligning cold ion source.

  16. Rotational spectrum of tryptophan

    Energy Technology Data Exchange (ETDEWEB)

    Sanz, M. Eugenia, E-mail: maria.sanz@kcl.ac.uk; Cabezas, Carlos, E-mail: ccabezas@qf.uva.es; Mata, Santiago, E-mail: santiago.mata@uva.es; Alonso, Josè L., E-mail: jlalonso@qf.uva.es [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Unidad Asociada CSIC, Parque Científico Uva, Universidad de Valladolid, 47011 Valladolid (Spain)

    2014-05-28

    The rotational spectrum of the natural amino acid tryptophan has been observed for the first time using a combination of laser ablation, molecular beams, and Fourier transform microwave spectroscopy. Independent analysis of the rotational spectra of individual conformers has conducted to a definitive identification of two different conformers of tryptophan, with one of the observed conformers never reported before. The analysis of the {sup 14}N nuclear quadrupole coupling constants is of particular significance since it allows discrimination between structures, thus providing structural information on the orientation of the amino group. Both observed conformers are stabilized by an O–H···N hydrogen bond in the side chain and a N–H···π interaction forming a chain that reinforce the strength of hydrogen bonds through cooperative effects.

  17. Rotational Spectrum of Tryptophan

    Science.gov (United States)

    Sanz, M. Eugenia; Cabezas, Carlos; Mata, Santiago; Alonso, José L.

    2014-06-01

    The rotational spectrum of the natural amino acid tryptophan has been observed using a recently constructed LA-MB-FTMW spectrometer, specifically designed to optimize the detection of heavier molecules at a lower frequency range. Independent analyses of the rotational spectra of individual conformers have conducted to a definitive identification of two different conformers of tryptophan, with one of the observed conformers never reported before. The experimental values of the 14N nuclear quadrupole coupling constants have been found capital in the discrimination of the conformers. Both observed conformers are stabilized by a O-H\\cdotsN hydrogen bond in the side chain and a N-H\\cdotsπ interaction forming a chain that reinforces the strength of hydrogen bonds through cooperative effects.

  18. An analysis of the methyl rotation dynamics in the S0 (X̃ 1A1) and T1 (ã 3A2) states of thioacetone, (CH3)2 CS and (CD 3)2 CS from pyrolysis jet spectra

    OpenAIRE

    Moule, D. C.; Smeyers, Y. G.; Senent, María Luisa; Clouthier, D. J.; Karolczak, J.; Judge, R. H.

    1991-01-01

    Jet-cooled, laser-induced phosphorescence excitation spectra (LIP) of thioacetone (CH3)2CS/(CD3)2 CS have been recorded over the region 16 800-18 500 cm-1 using the pyrolysis jet spectroscopic technique. The responsible electronic transition, T 1 ←-S0, ã 3 A ″ ← X̃ 1A1, results from an n → π* electron promotion and gives rise to a pattern of vibronic bands that were attributed to activity of the methyl torsion and the sulphur out-of-plane wagging modes. The intensities of the torsional and wa...

  19. Spatially resolved spectroscopy across stellar surfaces. I. Using exoplanet transits to analyze 3D stellar atmospheres

    Science.gov (United States)

    Dravins, Dainis; Ludwig, Hans-Günter; Dahlén, Erik; Pazira, Hiva

    2017-09-01

    Context. High-precision stellar analyses require hydrodynamic modeling to interpret chemical abundances or oscillation modes. Exoplanet atmosphere studies require stellar background spectra to be known along the transit path while detection of Earth analogs require stellar microvariability to be understood. Hydrodynamic 3D models can be computed for widely different stars but have been tested in detail only for the Sun with its resolved surface features. Model predictions include spectral line shapes, asymmetries, and wavelength shifts, and their center-to-limb changes across stellar disks. Aims: We observe high-resolution spectral line profiles across spatially highly resolved stellar surfaces, which are free from the effects of spatial smearing and rotational broadening present in full-disk spectra, enabling comparisons to synthetic profiles from 3D models. Methods: During exoplanet transits, successive stellar surface portions become hidden and differential spectroscopy between various transit phases provides spectra of small surface segments temporarily hidden behind the planet. Planets cover no more than 1% of any main-sequence star, enabling high spatial resolution but demanding very precise observations. Realistically measurable quantities are identified through simulated observations of synthetic spectral lines. Results: In normal stars, line profile ratios between various transit phases may vary by 0.5%, requiring S/N ≳ 5000 for meaningful spectral reconstruction. While not yet realistic for individual spectral lines, this is achievable for cool stars by averaging over numerous lines with similar parameters. Conclusions: For bright host stars of large transiting planets, spatially resolved spectroscopy is currently practical. More observable targets are likely to be found in the near future by ongoing photometric searches.

  20. NMR quadruopole spectra of PZT from first-principles

    Science.gov (United States)

    Mao, Dandan; Walter, Eric J.; Krakauer, Henry

    2006-03-01

    High performance piezoelectric materials are disordered alloys, so it can be difficult to determine the local atomic geometry. Recently, high field NMR measurements have shown great promise as a microscopic probe of ABO3 perovskite-based alloys by their ability to resolve line-splittings due to nuclear quadrupolar coupling with the electric field gradient (EFG) at the nucleus. We report first-principles LDA calculations of the EFG's in monoclinic and tetragonal Pb(Zr0.5Ti0.5)O3 systems using the linear augmented planewave (LAPW) method, and we compute NMR static powder spectra for ^91Zr, ^47Ti, and ^17O atoms as a function of applied strain. With decreasing c/a ratio PZT converts from tetragonal to monoclinic symmetry. We observe that the calculated NMR spectra show dramatic deviations with decreasing c/a from that in tetragonal P4mm well before the electric polarization begins to rotate away from the [001] direction. This indicates that NMR measurements can be a very accurate probe of local structural changes in perovskite piezoelectrics. G. L. Hoatson, D. H. Zhou, F. Fayon, D. Massiot, and R. L. Vold, Phys. Rev. B, 66, 224103 (2002).

  1. An analysis of the methyl rotation and aldehyde wagging dynamics in the S0 (X-tilde 1Ascript) and T1 (a-tilde 3Ascript) states of thioacetaldehyde from pyrolysis jet spectra

    Science.gov (United States)

    Moule, D. C.; Bascal, H. A.; Smeyers, Y. G.; Clouthier, D. J.; Karolczak, J.; Niño, A.

    1992-09-01

    Jet-cooled, laser induced phosphorescence (LIP) excitation spectra of thioacetaldehyde (CH3CHS, CH3CDS, CD3CHS, and CD3CDS) have been observed in the 15 800-17 300 cm-1 region in a continuous pyrolysis jet. The responsible electronic transition, T1 ← S0, ã 3A`← X˜ 1A', results from an n→π* electron promotion and gives rise to a pattern of vibronic bands that can be attributed to activity of the methyl torsion and the aldehyde hydrogen out-of-plane wagging modes. Potential and kinetic energy surfaces were mapped out for the aldehyde wagging (α) and the torsional (Θ) internal coordinates by using 6-31G* Hartree-Fock calculations in which the structural parameters were fully relaxed. The potential and kinetic energy data points were fitted to double Fourier expansions in α and Θ and were incorporated into a two-dimensional Hamiltonian operator. The spectrum was simulated from the transition energies and the Franck-Condon factors and was compared to the observed jet cooled LIP spectra. It was concluded that while the RHF procedure gives a good description to the ground state dynamics, the triplet state surface generated by the UHF method is too bumpy and undulating.

  2. Reactor Neutrino Spectra

    OpenAIRE

    Hayes, A. C.; Vogel, Petr

    2016-01-01

    We present a review of the antineutrino spectra emitted from reactors. Knowledge of these spectra and their associated uncertainties is crucial for neutrino oscillation studies. The spectra used to date have been determined either by converting measured electron spectra to antineutrino spectra or by summing over all of the thousands of transitions that make up the spectra, using modern databases as input. The uncertainties in the subdominant corrections to β-decay plague both methods, and we ...

  3. Angle-Resolved Spectroscopy of Parametric Fluorescence

    CERN Document Server

    Hsu, Feng-kuo

    2013-01-01

    The parametric fluorescence from a nonlinear crystal forms a conical radiation pattern. We measure the angular and spectral distributions of parametric fluorescence in a beta-barium borate crystal pumped by a 405-nm diode laser employing angle-resolved imaging spectroscopy. The experimental angle-resolved spectra and the generation efficiency of parametric down conversion are compared with a plane-wave theoretical analysis. The parametric fluorescence is used as a broadband light source for the calibration of the instrument spectral response function in the wavelength range from 450 to 1000 nm.

  4. A broadband Fourier-transform microwave spectrometer with laser ablation source: The rotational spectrum of nicotinic acid

    Science.gov (United States)

    Mata, S.; Peña, I.; Cabezas, C.; López, J. C.; Alonso, J. L.

    2012-10-01

    A chirped pulse Fourier transform microwave spectrometer (CP-FTMW) has been combined with a laser ablation source to investigate the broadband rotational spectra of solid biomolecules in the 6.0-18 GHz region. This technique has been successfully applied to the conformational study of nicotinic acid for which two conformers have been characterized for the first time in the gas phase. The quadrupole hyperfine structure originated by a 14N nucleus has been completely resolved for both rotamers using a LA-MB-FTMW spectrometer.

  5. Disk-averaged synthetic spectra of Mars

    Science.gov (United States)

    Tinetti, Giovanna; Meadows, Victoria S.; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

    2005-01-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

  6. Disk-averaged synthetic spectra of Mars

    Science.gov (United States)

    Tinetti, Giovanna; Meadows, Victoria S.; Crisp, David; Fong, William; Velusamy, Thangasamy; Snively, Heather

    2005-01-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

  7. The evolution of massive stars and their spectra I. A non-rotating 60 Msun star from the zero-age main sequence to the pre-supernova stage

    CERN Document Server

    Groh, Jose; Ekstrom, Sylvia; Georgy, Cyril

    2014-01-01

    For the first time, the interior and spectroscopic evolution of a massive star is analyzed from the zero-age main sequence (ZAMS) to the pre-supernova (SN) stage. For this purpose, we combined stellar evolution models using the Geneva code and atmospheric models using CMFGEN. With our approach, we were able to produce observables, such as a synthetic high-resolution spectrum and photometry, aiding the comparison between evolution models and observed data. Here we analyze the evolution of a non-rotating 60 Msun star and its spectrum throughout its lifetime. Interestingly, the star has a supergiant appearance (luminosity class I) even at the ZAMS. We find the following evolutionary sequence of spectral types: O3 I (at the ZAMS), O4 I (middle of the H-core burning phase), B supergiant (BSG), B hypergiant (BHG), hot luminous blue variable (LBV; end of H-core burning), cool LBV (H-shell burning through the beginning of the He-core burning phase), rapid evolution through late WN and early WN, early WC (middle of He...

  8. Complex Spectra in Fusion Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hellermann, M.G. von; Jaspers, R. [FOM-Institute for Plasma Physics Rijnhuizen, Nieuwegein (Netherlands); Bertschinger, G.; Biel, W.; Marchuk, O. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Plasmaphysik; Giroud, C.; Zastrow, K.D. [UKAEA Culham Laboratory Euratom Association, Abingdon (United Kingdom); Jupen, C. [Univ. of Lund (Sweden). Physics Dept.; O' Mullane, M.; Summers, H.P.; Whiteford, A. [Univ. of Strathclyde, Glasgow (United Kingdom). Applied Physics Dept.

    2005-12-15

    The need for quantitative evaluation of complex line emission spectra as observed in hot fusion plasmas initiated a challenging development of sophisticated interpretation tools based on integrating advanced atomic modelling with detailed treatment of the plasma environment. The successful merging of the two worlds has led to routine diagnostic procedures which have contributed enormously to the understanding of underlying plasma processes and also to a wide acceptance of spectroscopy as a reliable diagnostic method. In this paper three characteristic types of spectra of current and continuing interest are presented. The first is that of medium/heavy species with many ionisation stages revealed in survey VUV and XUV spectra. Such species occur as control gases, as wall materials, as ablated heavy species and possible as layered wall dopants for monitoring erosion. The spectra are complex with line-like and quasi-continuum regions and are amenable to advanced ?pattern recognition' methods. The second type is of few electron, highly ionised systems observed as line-of-sight integrated passive emission spectra in the soft X-ray region. They are analysed successfully in terms of plasma parameters through matching of observation with predicted synthetic spectra. Examples used here include highly resolved helium-like emission spectra of argon, iron and titanium observed on the tokamaks TEXTOR and Tore Supra. The third type, and the emphasis of this work, comprises spectra linked to active beam spectroscopy, that is, charge exchange recombination spectroscopy (CXRS) and beam emission spectroscopy (BES). In this case, a complex spectrum is again composed of a (usually) dominating active spectrum and an underlying passive emission spectrum. Its analysis requires modelling of both active and passive features. Examples used here are from the CXRS diagnostic at JET and TEXTOR. They display characteristic features of the main light impurity ions (C{sup +6}, He{sup +2}, N

  9. Spatially resolved spectroscopy and electrical characterization of microplasmas and switchable microplasma arrays

    Science.gov (United States)

    Hoskinson, Alan R.; Hopwood, Jeffrey

    2014-02-01

    Microwave resonators are used to generate microplasmas in atmospheric-pressure argon. We present spectroscopic and electrical measurements of these microplasmas for both a single resonator and a five-element resonator array with dc voltage-switchable power distribution. These measurements include gas temperatures from fits to rotational emission spectra and electron densities from Stark broadening, both resolved in two spatial dimensions. Peak gas temperatures are found to be near 900 K in the centre of the microplasmas, while electron densities peak near 3 × 1014 cm-3. Spectroscopically derived plasma densities are validated by comparison with electrical measurements of the complex plasma impedances. The plasma impedances shift the resonant frequencies and quality factors of the individual resonators, which in turn influence power distribution to the resonators. Data suggest that this feedback loop reinforces the electrical switching mechanism.

  10. Analysis of afferent responses from isolated semicircular canal of the guitarfish using rotational acceleration white-noise inputs. II. Estimation of linear system parameters and gain and phase spectra.

    Science.gov (United States)

    O'Leary, D P; Honrubia, V

    1976-05-01

    Quantitative estimates were computed for exponential coefficients and rate constants contributing to afferent unit impulse responses obtained from bundles innervating specific regions of the semicircular canal. The grouping of these estimates into specific response classes provided quantitative correlations with specific anatomical regions of innervation of the crista. Linear system gain and phase spectra were computed also, by applying Fourier transformations to unit impulse responses, for purposes of comparison with previous studies employing frequency domain analyses. Responses fitted by third-order linear system equations were specific to afferents innervating the crest and transition regions of the crista; whereas those fitted by overdamped, second-order equations were specific to afferents innervating the slopes and transition crista regions. It was concluded that strictly mechanical models of the transduction process are inadequate to account for the diverse and spatially distributed classes of observed responses and, moreover, structural features such as different hair cell types or efferent innervation effects could be excluded as inoperative in this preparation. The alternative hypothesis was suggested that certain of the observed subcomponents could be direct reflections of the initial mechanical stimulus, but that other subcomponents were reflections of more complex filtering mechanisms operating at the cellular or synaptic levels.

  11. - Tunneling Matrix Formalism for - and Two-Methyl Molecules Based on the Extended Permutation-Inversion Group Idea and its Application to the Analyses of the Methyl-Torsional Rotational Spectra

    Science.gov (United States)

    Ohashi, Nobukimi; Kobayashi, Kaori; Fujitake, Masaharu

    2016-06-01

    Recently we reanalyzed the microwave absorption spectra of the trans-ethyl methyl ether molecule, state by state, in the ground vibrational, O-methyl torsional, C-methyl torsional and skeletal torsional states with the use of an IAM-like tunneling matrix formalism based on an extended permutation-inversion (PI) group idea, whose results appeared in Journal of Molecular Spectroscopy recently. Since a single rho-axis does not exist in trans-ethyl methyl ether that has two methyl-tops and the IAM formalism is not available as in the case of the one methyl-top molecule, we adopted instead an IAM-like (in other word, partial IAM) formalism. We will show the outline of the present formalism and the results of the spectral analyses briefly. We also would like to review the IAM formalism for the one top molecules based on the extended PI group, and show the result of the application to the spectral analysis. If possible, we would like to compare the IAM and IAM-like formalisms based on the extended PI group with the ERHAM formalism developed by Groner, especially, in the form of Hamiltonian matrix elements, and discuss about similarity and difference.

  12. A transient model to simulate HTPEM fuel cell impedance spectra

    DEFF Research Database (Denmark)

    Vang, Jakob Rabjerg; Andreasen, Søren Juhl; Kær, Søren Knudsen

    2012-01-01

    This paper presents a spatially resolved transient fuel cell model applied to the simulation of high temperature PEM fuel cell impedance spectra. The model is developed using a 2D finite volume method approach. The model is resolved along the channel and across the membrane. The model considers...

  13. Rotational spectroscopy with an optical centrifuge

    CERN Document Server

    Korobenko, Aleksey; Hepburn, John W; Milner, Valery

    2013-01-01

    We demonstrate a new spectroscopic method for studying electronic transitions in molecules with extremely broad range of angular momentum. We employ an optical centrifuge to create narrow rotational wave packets in the ground electronic state of $^{16}$O$_2$. Using the technique of resonance-enhanced multi-photon ionization, we record the spectrum of multiple ro-vibrational transitions between $X^3\\Sigma_{g}^{-}$ and $C^3\\Pi_{g}$ electronic manifolds of oxygen. Direct control of rotational excitation, extending to rotational quantum numbers as high as $N\\gtrsim 120$, enables us to interpret the complex structure of rotational spectra of $C^3\\Pi_{g}$ beyond thermally accessible levels.

  14. The rotational spectrum of tyrosine.

    Science.gov (United States)

    Pérez, Cristóbal; Mata, Santiago; Cabezas, Carlos; López, Juan C; Alonso, José L

    2015-04-23

    In this work neutral tyrosine has been generated in the gas phase by laser ablation of solid samples, and its most abundant conformers characterized through their rotational spectra. Their identification has been made by comparison between the experimental and ab initio values of the rotational and quadrupole coupling constants. Both conformers are stabilized by an O-H•••N hydrogen bond established within the amino acid skeleton chain and an additional weak N-H•••π hydrogen bond. The observed conformers differ in the orientation of the phenolic -OH group.

  15. Spectroscopic analysis of time-resolved emission from detonating thin film explosive samples

    Science.gov (United States)

    Kay, Jeffrey J.; Wixom, Ryan R.; Jilek, Brook A.; Knepper, Robert; Tappan, Alexander S.; Damm, David L.

    2017-01-01

    We report a series of time-resolved spectroscopic measurements that aim to characterize the reactions that occur during shock initiation of high explosives. The experiments employ time- and wavelength-resolved emission spectroscopy to analyze light emitted from detonating thin explosive films. This paper presents analysis of optical emission spectra from hexanitrostilbene (HNS) and pentaerythritol tetranitrate (PETN) thin film samples. Both vibrationally resolved and broadband emission features are observed in the spectra and area as electronic transitions of intermediate species.

  16. Disk-averaged synthetic spectra of Mars

    CERN Document Server

    Tinetti, G; Fong, W; Meadows, V S; Snively, H; Velusamy, T; Crisp, David; Fong, William; Meadows, Victoria S.; Snively, Heather; Tinetti, Giovanna; Velusamy, Thangasamy

    2004-01-01

    The principal goal of the NASA Terrestrial Planet Finder (TPF) and ESA Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earth-sized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of the planet Mars to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPF-C) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model which uses observational data as input to generate a database of spatially-resolved synthetic spectra for a range of illumination conditions (phase angles) and viewing geometries. Results presented here include disk averaged synthetic spectra, light-cur...

  17. Systematic Search for Rotation at the Base of Outflows from T Tauri Stars

    Science.gov (United States)

    Bacciotti, Francesca

    2002-07-01

    We wish to search for rotation signatures in the initial portion {first 100 AU} of a sample of outflows emanating from T Tauri stars {TTSs}. This project originates from our detection of systematic transverse radial velocity shifts in STIS spectra of the DG Tau jet {Bacciotti et al., 2002}. The shifts, observed in a region where the flow is already collimated, but has not yet manifestly interacted with its environment, are consistent with the predictions of magneto- centrifugal launching models, and may constitute the first observed indication for rotation in the initial portion of a jet flow. Rotation is a fundamental ingredient in star formation theories, thus we propose to confirm the above result by carrying out a systematic survey in similar flows. We plan to take for each jet a STIS spectrum in the 6300 - 6800 Angstrom range, with the slit perpendicular to the flow direction and at a distance of about 0.''3 from the source {i.e., in our targets, 40 - 70 AU along the jet depending on inclination angle}. Since the flows are resolved transversely with HST, the proposed slit orientation allows for the direct detection of systematic velocity shifts. Where found, we will check for consistency between the sense of rotation observed and that of the underlying disk through CO interferometric measurements. As a by-product, estimates of the excitation conditions across the flow {including ionization fraction} and of the mass outflow rates will be derived.

  18. Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution.

    Science.gov (United States)

    Santoro, Fabrizio; Improta, Roberto; Lami, Alessandro; Bloino, Julien; Barone, Vincenzo

    2007-02-28

    The authors present a new method for the computation of vibrationally resolved optical spectra of large molecules, including the Duschinsky [Acta Physicochim. URSS 7, 551 (1937)] rotation of the normal modes. The method automatically selects the relevant vibronic contributions to the spectrum, independent of their frequency, and it is able to provide fully converged spectra with a quite modest computational time, both in vacuo and in condensed phase. Starting from the rigorous time-dependent expression they discuss indeed in which limits the spectrum of a molecule embedded in a solvent, described as a polarizable continuum, can be computed in a time-independent formalism, defining both nonequilibrium and equilibrium limits. In these cases the polarizable continuum model provides a suitable description of the solvent field. By computing the absorption spectra of anthracene in gas phase and of coumarin C153 in gas phase and cyclohexane, and the phosphorescence spectrum of the unsubstituted coumarin in ethanol they show that the method is fast and efficient.

  19. High-resolution Absorption Spectra of Acetylene in 142.8-152.3 nm

    Institute of Scientific and Technical Information of China (English)

    Ya-hua Hu; Chen Zhen; Jing-hua Dai; Xiao-guo Zhou; Shi-lin Liu

    2008-01-01

    The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (v2=0-2) of the C~Ⅱu state of acetylene. The observed shoulder peak at 148.2 nm is assigned to the first overtone band of the trans-bending mode v4 of the C~Ⅱu state of acetylene. Additionally, the two components, 42 (μ1 Ⅱu) and 42(K1Ⅱu), are suggested to exhibit in the present absorption spectra, due to their Penner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.

  20. High-resolution Absorption Spectra of Acetylene in 142.8-152.3 nm

    Science.gov (United States)

    Hu, Ya-hua; Zhen, Chen; Dai, Jing-hua; Zhou, Xiao-guo; Liu, Shi-lin

    2008-10-01

    The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (u2 = 0-2) of the tilde C1 IIu state of acetylene. The observed shoulder peak at 148.2 nm is assigned to the first overtone band of the trans-bending mode u4 of the tilde C1 IIustate of acetylene. Additionally, the two components, 4o2(μ1IIu) and 4o2(κ1 IIuare suggested to exhibit in the present absorption spectra, due to their Renner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.

  1. A spin- and angle-resolving photoelectron spectrometer

    CERN Document Server

    Berntsen, M H; Leandersson, M; Hahlin, A; hlund, J \\AA; Wannberg, B; nsson, M M\\aa; Tjernberg, O

    2010-01-01

    A new type of hemispherical electron energy analyzer that permits angle and spin resolved photoelectron spectroscopy has been developed. The analyzer permits standard angle resolved spectra to be recorded with a two-dimensional detector in parallel with spin detection using a mini-Mott polarimeter. General design considerations as well as technical solutions are discussed and test results from the Au(111) surface state are presented.

  2. Reactor Neutrino Spectra

    CERN Document Server

    Hayes, A C

    2016-01-01

    We present a review of the antineutrino spectra emitted from reactors. Knowledge of these and their associated uncertainties are crucial for neutrino oscillation studies. The spectra used to-date have been determined by either conversion of measured electron spectra to antineutrino spectra or by summing over all of the thousands of transitions that makeup the spectra using modern databases as input. The uncertainties in the subdominant corrections to beta-decay plague both methods, and we provide estimates of these uncertainties. Improving on current knowledge of the antineutrino spectra from reactors will require new experiments. Such experiments would also address the so-called reactor neutrino anomaly and the possible origin of the shoulder observed in the antineutrino spectra measured in recent high-statistics reactor neutrino experiments.

  3. Newmark design spectra considering earthquake magnitudes and site categories

    Science.gov (United States)

    Li, Bo; Xie, Wei-Chau; Pandey, M. D.

    2016-09-01

    Newmark design spectra have been implemented in many building codes, especially in building codes for critical structures. Previous studies show that Newmark design spectra exhibit lower amplitudes at high frequencies and larger amplitudes at low frequencies in comparison with spectra developed by statistical methods. To resolve this problem, this study considers three suites of ground motions recorded at three types of sites. Using these ground motions, influences of the shear-wave velocity, earthquake magnitudes, source-to-site distances on the ratios of ground motion parameters are studied, and spectrum amplification factors are statistically calculated. Spectral bounds for combinations of three site categories and two cases of earthquake magnitudes are estimated. Site design spectrum coefficients for the three site categories considering earthquake magnitudes are established. The problems of Newmark design spectra could be resolved by using the site design spectrum coefficients to modify the spectral values of Newmark design spectra in the acceleration sensitive, velocity sensitive, and displacement sensitive regions.

  4. Spectral Characteristics of CN Radical(B→X)and Its Application in Determination of Rotational and Vibrational Temperatures of Plasma

    Institute of Scientific and Technical Information of China (English)

    PENG Zhi-Min; DING Yan-Jun; ZHAI Xiao-Doug; YANG Qian-Suo; JIANG Zong-Lin

    2011-01-01

    The aim is to resolve the difficulties of measurement of temperature at several thousands of Celsius degrees for some unstable non-equilibrium gas flows. Based on the molecular spectroscopy theory and inherent molecular structure characteristics of the CN radical, the dependence of the spectral profile on the rotational temperature (RT), vibrational temperature (VT) and optical apparatus function are numerically explored within some certain ranges. Meanwhile, by comparing the numerically calculated spectra with the experimental spectra of the CN radical, the corresponding RT and VT of the plasma induced by the interaction of the laser pulse from an oscillated Nd: YAG laser with the coal target are determined, respectively. In addition, a short discussion on the thermodynamic state and the energy transfer process of the CN radical is also given.%@@ The aim is to resolve the difficulties of measurement of temperature at several thousands of Celsius degrees for some unstable non-equilibrium gas flows.Based on the molecular spectroscopy theory and inherent molecular structure characteristics of the CN radical, the dependence of the spectral profile on the rotational temperature (RT), vibrational temperature(VT)and optical apparatus function are numerically explored within some certain ranges.Meanwhile, by comparing the numerically calculated spectra with the experimental spectra of the CN radical, the corresponding RT and VT of the plasma induced by the interaction of the laser pulse from an oscillated Nd:YAG laser with the coal target are determined, respectively.In addition, a short discussion on the thermodynamic state and the energy transfer process of the CN radical is also given.

  5. Double-Resonance Facilitated Decomposion of Emission Spectra

    Science.gov (United States)

    Kato, Ryota; Ishikawa, Haruki

    2016-06-01

    Emission spectra provide us with rich information about the excited-state processes such as proton-transfer, charge-transfer and so on. In the cases that more than one excited states are involved, emission spectra from different excited states sometimes overlap and a decomposition of the overlapped spectra is desired. One of the methods to perform a decomposition is a time-resolved fluorescence technique. It uses a difference in time evolutions of components involved. However, in the gas-phase, a concentration of the sample is frequently too small to carry out this method. On the other hand, double-resonance technique is a very powerful tool to discriminate or identify a common species in the spectra in the gas-phase. Thus, in the present study, we applied the double-resonance technique to resolve the overlapped emission spectra. When transient IR absorption spectra of the excited state are available, we can label the population of the certain species by the IR excitation with a proper selection of the IR wavenumbers. Thus, we can obtain the emission spectra of labeled species by subtracting the emission spectra with IR labeling from that without IR. In the present study, we chose the charge-transfer emission spectra of cyanophenyldisilane (CPDS) as a test system. One of us reported that two charge-transfer (CT) states are involved in the intramolecular charge-transfer (ICT) process of CPDS-water cluster and recorded the transient IR spectra. As expected, we have succeeded in resolving the CT emission spectra of CPDS-water cluster by the double resonance facilitated decomposion technique. In the present paper, we will report the details of the experimental scheme and the results of the decomposition of the emission spectra. H. Ishikawa, et al., Chem. Phys. Phys. Chem., 9, 117 (2007).

  6. Detection of Rotational Spectral Variation on the M-type Asteroid (16) Psyche

    Science.gov (United States)

    Sanchez, Juan A.; Reddy, Vishnu; Shepard, Michael K.; Thomas, Cristina; Cloutis, Edward A.; Takir, Driss; Conrad, Albert; Kiddell, Cain; Applin, Daniel

    2017-01-01

    The asteroid (16) Psyche is of scientific interest because it contains ∼1% of the total mass of the asteroid belt and is thought to be the remnant metallic core of a protoplanet. Radar observations have indicated the significant presence of metal on the surface with a small percentage of silicates. Prior ground-based observations showed rotational variations in the near-infrared (NIR) spectra and radar albedo of this asteroid. However, no comprehensive study that combines multi-wavelength data has been conducted so far. Here we present rotationally resolved NIR spectra (0.7–2.5 μm) of (16) Psyche obtained with the NASA Infrared Telescope Facility. These data have been combined with shape models of the asteroid for each rotation phase. Spectral band parameters extracted from the NIR spectra show that the pyroxene band center varies from ∼0.92 to 0.94 μm. Band center values were used to calculate the pyroxene chemistry of the asteroid, whose average value was found to be Fs30En65Wo5. Variations in the band depth (BD) were also observed, with values ranging from 1.0% to 1.5%. Using a new laboratory spectral calibration method, we estimated an average orthopyroxene content of 6% ± 1%. The mass-deficit region of Psyche, which exhibits the highest radar albedo, also shows the highest value for the spectral slope and the minimum BD. The spectral characteristics of Psyche suggest that its parent body did not have the typical structure expected for a differentiated body or that the sequence of events that led to its current state was more complex than previously thought.

  7. Synchrotron-based Fourier transform spectra of the ν23 and ν24 IR bands of hexamethylenetetramine C6N4H12

    Science.gov (United States)

    Pirali, O.; Boudon, V.

    2015-09-01

    Hexamethylenetetramine (HMT), C6N4H12 is a spherical top with nine IR-active modes. Because of its relevance for astrophysics, we recorded the absorption spectra in the full range of its fundamental bands. In total, we detected eight fundamental bands and recently published the rotational analysis of the four most intense bands (ν19,ν20,ν21,ν22) located in the 1000-1500 cm-1 range as a support for astronomical searches (Pirali et al., 2014). While the CH stretch modes are unresolved broad features, in this article we report the analysis of the two remaining fundamental bands exhibiting rotationally resolved structures: ν23 -GS and ν24 -GS located at about 820 cm-1 and 670 cm-1, respectively.

  8. Laboratory detection of the rotational-tunnelling spectrum of the hydroxymethyl radical, CH2OH

    Science.gov (United States)

    Bermudez, C.; Bailleux, S.; Cernicharo, J.

    2017-01-01

    Context. Of the two structural isomers of CH3O, methoxy is the only radical whose astronomical detection has been reported through the observation of several rotational lines at 2 and 3 mm wavelengths. Although the hydroxymethyl radical, CH2OH, is known to be thermodynamically the most stable (by 3300 cm-1), it has so far eluded rotational spectroscopy presumably because of its high chemical reactivity. Aims: Recent high-resolution ( 10 MHz) sub-Doppler rovibrationally resolved infrared spectra of CH2OH (symmetric CH stretching a-type band) provided accurate ground vibrational state rotational constants, thus reviving the quest for its millimeter-wave spectrum in laboratory and subsequently in space. Methods: The search and assignment of the rotational spectrum of this fundamental species were guided by our quantum chemical calculations and by using rotational constants derived from high-resolution IR data. The hydroxymethyl radical was produced by hydrogen abstraction from methanol by atomic chlorine. Results: Ninety-six b-type rotational transitions between the v = 0 and v = 1 tunnelling sublevels involving 25 fine-structure components of Q branches (with Ka = 1 ← 0) and 4 fine-structure components of R branches (assigned to Ka = 0 ← 1) were measured below 402 GHz. Hyperfine structure alternations due to the two identical methylenic hydrogens were observed and analysed based on the symmetry and parity of the rotational levels. A global fit including infrared and millimeter-wave lines has been conducted using Pickett's reduced axis system Hamiltonian. The recorded transitions (odd ΔKa) did not allow us to evaluate the Coriolis tunnelling interaction term. The comparison of the experimentally determined constants for both tunnelling levels with their computed values secures the long-awaited first detection of the rotational-tunnelling spectrum of this radical. In particular, a tunnelling rate of 139.73 ± 0.10 MHz (4.6609(32) × 10-3 cm-1) was obtained along

  9. Resolved SZE Cluster Count

    Institute of Scientific and Technical Information of China (English)

    Jia-Yu Tang; Zu-Hui Fan

    2003-01-01

    We study the counts of resolved SZE (Sunyaev-Zel'dovich effect) clus-ters expected from an interferometric survey in different cosmological models underdifferent conditions. The self-similar universal gas model and Press-Schechter massfunction are used. We take the observing frequency to be 90 GHz, and consider twodish diameters, 1.2 m and 2.5 m. We calculate the number density of the galaxyclusters dN/(dΩdz) at a high flux limit Slimv = 100mJy and at a relative lowSlimv = 10 mJy. The total numbers of SZE clusters N in two low-Ω0 models arecompared. The results show that the influence of the resolved effect depends notonly on D, but also on Slimv: at a given D, the effect is more significant for a highthan for a low Slim Also, the resolved effect for a flat universe is more impressivethan that for an open universe. For D = 1.2m and Slimv= 10mJy, the resolvedeffect is very weak. Considering the designed interferometers which will be used tosurvey SZE clusters, we find that the resolved effect is insignificant when estimatingthe expected yield of the SZE cluster surveys.

  10. Resolving-Power Quantization

    CERN Document Server

    Neuberger, Herbert

    2016-01-01

    Starting with a general discussion, a program is sketched for a quantization based on dilations. This resolving-power quantization is simplest for scalar field theories. The hope is to find a way to relax the requirement of locality so that the necessity to fine tune mass parameters is eliminated while universality is still preserved.

  11. Operation: Inherent Resolve

    DEFF Research Database (Denmark)

    Cramer-Larsen, Lars

    2015-01-01

    Kapitlet giver læseren indsigt i den internationale koalitions engagement mod IS igennem Operaton Inherent Resolve; herunder koalitionens strategi i forhold til IS strategi, ligesom det belyser kampagnens legalitet og folkeretlige grundlag, ligesom det giver et bud på overvejelser om kampagnens l...

  12. Resolving Disputes in Education.

    Science.gov (United States)

    Seeley, Kenneth R.; Schrant, Nancy E.

    Because of the increasing incidence of disputes in schools, educators need more knowledge about methods of dispute resolution. The adversary system of resolving disputes, on which the U.S. judicial system is founded, assumes that truth is best found through a struggle between two opposing parties. In the adversary system, due process plays a…

  13. Stability of rigid body rotation from a bond graph perspective

    NARCIS (Netherlands)

    Breedveld, Peter

    2009-01-01

    This paper describes the history of the bond graph description of rigid body rotation dynamics and resolves a paradox that resulted from the common Euler Junction Structure (EJS) description of the exterior product in the Newton–Euler equation describing rigid body rotation [D.C. Karnopp, R.C. Rosen

  14. Interference stabilization of autoionizing states in molecular $N_2$ studied by time- and angular-resolved photoelectron spectroscopy

    CERN Document Server

    Eckstein, Martin; Yang, Chung-Hsin; Sansone, Giuseppe; Vrakking, Marc J J; Ivanov, Misha; Kornilov, Oleg

    2016-01-01

    An autoionizing resonance in molecular N$_2$ is excited by an ultrashort XUV pulse and probed by a subsequent weak IR pulse, which ionizes the contributing Rydberg states. Time- and angular-resolved photoelectron spectra recorded with a velocity map imaging spectrometer reveal two electronic contributions with different angular distributions. One of them has an exponential decay rate of $20\\pm5$ fs, while the other one is shorter than 10 fs. This observation is interpreted as a manifestation of interference stabilization involving the two overlapping discrete Rydberg states. A formalism of interference stabilization for molecular ionization is developed and applied to describe the autoionizing resonance. The results of calculations reveal, that the effect of the interference stabilization is facilitated by rotationally-induced couplings of electronic states with different symmetry.

  15. Resolving Two Dimensional Angular Velocity within a Rotary Tumbler

    Science.gov (United States)

    Helminiak, Nathaniel; Helminiak, David; Cariapa, Vikram; Borg, John

    2015-11-01

    In this study, a horizontally oriented cylindrical tumbler, filled at variable depth with cylindrical media, was rotated at various constant speeds. A monoplane layer of media was photographed with a high-speed camera and images were post processed with Particle Tracking Velocimetry (PTV) algorithms in order to resolve both the translational and rotational flow fields. Although the translational velocity fields have been well characterized, contemporary resources enabled the ability to expand upon and refine data regarding rotational characteristics of particles within a rotary tumbler. The results indicate that particles rotate according to intermittent no-slip interactions between the particles and solid body rotation. Particles within the bed, not confined to solid body rotation, exhibited behavior indicative of gearing between particles; each reacting to the tangential component of contact forming rotation chains. Furthermore, it was observed that solid body interactions corresponded to areas of confined motion, as areas of high interaction dissuaded no-slip rotation, while areas of developing flow tended towards no-slip rotation. Special thanks to: NASA Wisconsin Space Grant Consortium Program as well as Marquette University OPUS College of Engineering.

  16. Rotator cuff exercises

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/patientinstructions/000357.htm Rotator cuff exercises To use the sharing features on this ... gov/pubmed/25560729 . Read More Frozen shoulder Rotator cuff problems Rotator cuff repair Shoulder arthroscopy Shoulder CT scan Shoulder ...

  17. Seismic diagnosis from gravity modes strongly affected by rotation

    CERN Document Server

    Prat, Vincent; Lignières, François; Ballot, Jérôme; Culpin, Pierre-Marie

    2016-01-01

    Most of the information we have about the internal rotation of stars comes from modes that are weakly affected by rotation, for example by using rotational splittings. In contrast, we present here a method, based on the asymptotic theory of Prat et al. (2016), which allows us to analyse the signature of rotation where its effect is the most important, that is in low-frequency gravity modes that are strongly affected by rotation. For such modes, we predict two spectral patterns that could be confronted to observed spectra and those computed using fully two-dimensional oscillation codes.

  18. Rotating Cavitation Supression Project

    Data.gov (United States)

    National Aeronautics and Space Administration — FTT proposes development of a rotating cavitation (RC) suppressor for liquid rocket engine turbopump inducers. Cavitation instabilities, such as rotating...

  19. Quantization of rotating linear dilaton black holes

    Energy Technology Data Exchange (ETDEWEB)

    Sakalli, I. [Eastern Mediterranean University, Department of Physics, Mersin 10 (Turkey)

    2015-04-15

    In this paper, we focus on the quantization of four-dimensional rotating linear dilaton black hole (RLDBH) spacetime describing an action, which emerges in the Einstein-Maxwell-dilaton-axion (EMDA) theory. RLDBH spacetime has a non-asymptotically flat geometry. When the rotation parameter ''a'' vanishes, the spacetime reduces to its static form, the so-called linear dilaton black hole (LDBH) metric. Under scalar perturbations, we show that the radial equation reduces to a hypergeometric differential equation. Using the boundary conditions of the quasinormal modes (QNMs), we compute the associated complex frequencies of the QNMs. In a particular case, QNMs are applied in the rotational adiabatic invariant quantity, and we obtain the quantum entropy/area spectra of the RLDBH. Both spectra are found to be discrete and equidistant, and independent of the a-parameter despite the modulation of QNMs by this parameter. (orig.)

  20. Action spectra again?

    Science.gov (United States)

    Coohill, T P

    1991-11-01

    Action spectroscopy has a long history and is of central importance to photobiological studies. Action spectra were among the first assays to point to chlorophyll as the molecule most responsible for plant growth and to DNA as the genetic material. It is useful to construct action spectra early in the investigation of new areas of photobiological research in an attempt to determine the wavelength limits of the radiation region causing the studied response. But due to the severe absorption of ultraviolet (UV) radiation by biological samples, UV action spectra were first limited to small cells (bacteria and fungi). Advances in techniques (e.g. single cell culture) and analysis allowed accurate action spectra to be reported even for mammalian cells. But precise analytical action spectra are often difficult to obtain when large, pigmented, or groups of cells are investigated. Here some action spectra are limited in interpretation and merely supply a wavelength vs effect curve. When polychromatic sources are employed, the interpretation of action spectra is even more complex and formidable. But such polychromatic action spectra can be more directly related to ambient responses. Since precise action spectra usually require the completion of a relatively large number of careful experiments using somewhat sophisticated equipment over a range of at least six wavelengths, they are often not pursued. But they remain central to the elucidation of the effect being studied. The worldwide community has agreed that stratospheric ozone is depleting, with the possibility of a consequent rise in the amount of UV-B (290-320 nm) reaching the earth's surface. It is therefore essential that new action spectra be completed for UV-B effects on a large variety of responses of human, animal, and aquatic plant systems. Combining these action spectra with the known amounts of UV-B reaching the biosphere can give rise to solar UV effectiveness spectra that, in turn, can give rise to estimates

  1. Stimulated Emission Pumping by Two-Color Resonant Four-Wave Mixing: Rotational Characterization of Vibrationally Excited HCO

    Energy Technology Data Exchange (ETDEWEB)

    Radi, P.P.; Tulej, M.; Knopp, G.; Beaud, P.; Gerber, T.

    2004-03-01

    Stimulated emission pumping by applying two-color resonant four-wave mixing is used to measure rotationally resolved spectra of the HCO (0,0,0) B {sup 2}A' - (0,3,1) X {sup 2}A' transition. The formyl radical is produced by photodissociation of formaldehyde at 31710.8 cm{sup -1} under thermalized conditions in a low pressure cell. In contrast to the highly congested one-color spectrum of HCO at room temperature, the doubleresonance method yields well isolated transitions which are assigned unambiguously due to intermediate level labeling. 89 rotational transitions have been assigned and yield accurate rotational constants for the vibrationally excited (0,3,1) band of the electronic ground state X {sup 2}A' of HCO. The determined rotational constant A = 25.84{+-}0.01 cm-1 is considerably higher than that for the vibrationless ground state and reflects the structural change due to excitation of the bending mode of the formyl radical. (author)

  2. Relativistic Rotation: A Comparison of Theories

    CERN Document Server

    Klauber, R D

    2006-01-01

    Alternative theories of relativistic rotation considered viable as of 2004 are compared in the light of experiments reported in 2005. En route, the contentious issue of simultaneity choice in rotation is resolved by showing that only one simultaneity choice, the one possessing continuous time, gives rise, via the general relativistic equation of motion, to the correct Newtonian limit Coriolis acceleration. In addition, the widely dispersed argument purporting to justify an absolute Lorentz contraction in rotation is analyzed and found lacking for more than one reason. It is argued that only via experiment can we know whether such absolute contraction exists in rotation or not. The Coriolis/simultaneity correlation, and the results of the 2005 experiments, support the Selleri theory as being closest to the truth, though it is incomplete in a more general applicability sense, because it does not provide a global metric. Two alternatives, a modified Klauber approach and a Selleri-Klauber hybrid, are presented wh...

  3. Resolvability in Circulant Graphs

    Institute of Scientific and Technical Information of China (English)

    Muhammad SALMAN; Imran JAVAID; Muhammad Anwar CHAUDHRY

    2012-01-01

    A set W of the vertices of a connected graph G is called a resolving set for G if for every two distinct vertices u,v ∈ V(G) there is a vertex w ∈ W such that d(u,w) ≠ d(v,w).A resolving set of minimum cardinality is called a metric basis for G and the number of vertices in a metric basis is called the metric dimension of G,denoted by dim(G).For a vertex u of G and a subset S of V(G),the distance between u and S is the number mins∈s d(u,s).A k-partition H ={S1,S2,...,Sk} of V(G) is called a resolving partition if for every two distinct vertices u,v ∈ V(G) there is a set Si in Π such that d(u,Si) ≠ d(v,Si).The minimum k for which there is a resolving k-partition of V(G) is called the partition dimension of G,denoted by pd(G).The circulant graph is a graph with vertex set Zn,an additive group ofintegers modulo n,and two vertices labeled i and j adjacent if and only if i - j (mod n) ∈ C,where C C Zn has the property that C =-C and 0(∈) C.The circulant graph is denoted by Xn,△ where A =|C|.In this paper,we study the metric dimension of a family of circulant graphs Xn,3 with connection set C ={1,-n/2,n - 1} and prove that dim(Xn,3) is independent of choice of n by showing that 3 for all n =0 (mod 4),dim(X,n,3) ={ 4 for all n =2 (mod 4).We also study the partition dimension of a family of circulant graphs Xn,4 with connection set C ={±1,±2} and prove that pd(Xn,4) is independent of choice of n and show that pd(X5,4) =5 and 3 forall odd n≥9,pd(Xn,4) ={ 4 for all even n ≥ 6 and n =7.

  4. THE HYPERFINE STRUCTURE OF THE ROTATIONAL SPECTRUM OF HDO AND ITS EXTENSION TO THE THz REGION: ACCURATE REST FREQUENCIES AND SPECTROSCOPIC PARAMETERS FOR ASTROPHYSICAL OBSERVATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Cazzoli, Gabriele; Lattanzi, Valerio; Puzzarini, Cristina [Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via Selmi 2, I-40126 Bologna (Italy); Alonso, José Luis [Grupo de Espectroscopía Molecular (GEM), Unidad Asociada CSIC, Edificio Quifima, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Universidad de Valladolid, E-47005 Valladolid (Spain); Gauss, Jürgen, E-mail: cristina.puzzarini@unibo.it [Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz (Germany)

    2015-06-10

    The rotational spectrum of the mono-deuterated isotopologue of water, HD{sup 16}O, has been investigated in the millimeter- and submillimeter-wave frequency regions, up to 1.6 THz. The Lamb-dip technique has been exploited to obtain sub-Doppler resolution and to resolve the hyperfine (hf) structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hf parameters. Their experimental determination has been supported by high-level quantum-chemical calculations. The Lamb-dip measurements have been supplemented by Doppler-limited measurements (weak high-J and high-frequency transitions) in order to extend the predictive capability of the available spectroscopic constants. The possibility of resolving hf splittings in astronomical spectra has been discussed.

  5. Dual Brushless Resolver Rate Sensor

    Science.gov (United States)

    Howard, David E. (Inventor)

    1997-01-01

    A resolver rate sensor is disclosed in which dual brushless resolvers are mechanically coupled to the same output shaft. Diverse inputs are provided to each resolver by providing the first resolver with a DC input and the second resolver with an AC sinusoidal input. A trigonometric identity in which the sum of the squares of the sin and cosine components equal one is used to advantage in providing a sensor of increased accuracy. The first resolver may have a fixed or variable DC input to permit dynamic adjustment of resolver sensitivity thus permitting a wide range of coverage. In one embodiment of the invention the outputs of the first resolver are directly inputted into two separate multipliers and the outputs of the second resolver are inputted into the two separate multipliers, after being demodulated in a pair of demodulator circuits. The multiplied signals are then added in an adder circuit to provide a directional sensitive output. In another embodiment the outputs from the first resolver is modulated in separate modulator circuits and the output from the modulator circuits are used to excite the second resolver. The outputs from the second resolver are demodulated in separate demodulator circuit and added in an adder circuit to provide a direction sensitive rate output.

  6. Batch processing of overlapping molecular spectra as a tool for spatio-temporal diagnostics of power modulated microwave plasma jet

    Science.gov (United States)

    Voráč, Jan; Synek, Petr; Potočňáková, Lucia; Hnilica, Jaroslav; Kudrle, Vít

    2017-02-01

    Power modulated microwave plasma jet operating in argon at atmospheric pressure was studied by spatio-temporally resolved optical emission spectroscopy (OES) in order to clarify the influence of modulation on plasma parameters. OES was carried out in OH, NH, N2 and {{{N}}}2+ spectral regions using a spectrometer with intensified CCD detector synchronised with 101–103 Hz sine modulating signal. A special software, able to fit even the overlapping spectra, was developed to batch process the massive datasets produced by this spatio-temporal study. Results show that studied species with the exception of {{{N}}}2+ have balanced rotational and vibrational temperatures across the modulation frequencies. Significant influence of modulation can be clearly observed on temperature spatial gradients. Whereas for low modulation frequencies where the temperatures reach sharp maxima upon discharge tip, the high frequency modulation produces thermally homogeneous plasma.

  7. Brief resolved unexplained event

    Science.gov (United States)

    Arane, Karen; Claudius, Ilene; Goldman, Ran D.

    2017-01-01

    Abstract Question For many years, the term apparent life-threatening event (ALTE) was associated with sudden infant death syndrome, and parents who described an acute event in their infants were sent to the hospital for admission. I understand that for infants new terminology is recommended. What is the current approach to a near-death experience of an infant? Answer A recent clinical practice guideline revised the name and definition of an ALTE to a brief resolved unexplained event (BRUE). The diagnosis of BRUE in infants younger than 1 year of age is made when infants experience 1 of the following BRUE symptoms: a brief episode (ie, less than 1 minute and usually less than 20 to 30 seconds) that is entirely resolved (infant is at baseline), which remains unexplained after the history and physical examination are completed, and includes an event characterized by cyanosis or pallor; absent, decreased, or irregular breathing; hypertonia or hypotonia; or altered responsiveness. Low-risk infants should not be admitted to the hospital and overtesting is discouraged. PMID:28115439

  8. Raman Spectra of Glasses

    Science.gov (United States)

    1986-11-30

    17), Raman spectra, plus a , . theoretical treatment of the data, f complex fluorozirconate 14 I anions in ZBLAN glasses and melts (16), and...based ZBLAN glasses ) 17. ICORS (International Conference on Raman Spectroscopy) Proceedings, London, England. Conferencf 5-9 Sep 88. (Molten silica...RESEARCH FINAL REPORT DTIC CONTRACT N00014-81-K-0501 &JELECTE 1 MAY 81 -- 30 NOV 86 EJJAN041989 V "RAMAN SPECTRA OF GLASSES " 0 During the five years of the

  9. Quantization of rotating linear dilaton black holes

    CERN Document Server

    Sakalli, I

    2014-01-01

    In this paper, we firstly prove that the adiabatic invariant quantity, which is commonly used in the literature for quantizing the rotating black holes (BHs) is fallacious. We then show how its corrected form should be. The main purpose of this paper is to study the quantization of 4-dimensional rotating linear dilaton black hole (RLDBH) spacetime describing with an action, which emerges in the Einstein-Maxwell-Dilaton-Axion (EMDA) theory. The RLDBH spacetime has a non-asymptotically flat (NAF) geometry. They reduces to the linear dilaton black hole (LDBH) metric when vanishing its rotation parameter "a". While studying its scalar perturbations, it is shown that the Schr\\"odinger-like wave equation around the event horizon reduces to a confluent hypergeometric differential equation. Then the associated complex frequencies of the quasinormal modes (QNMs) are computed. By using those QNMs in the true definition of the rotational adiabatic invariant quantity, we obtain the quantum spectra of entropy/area for the...

  10. VARIABILITY IN OPTICAL SPECTRA OF {epsilon} ORIONIS

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Gregory B. [Department of Physics, Adrian College, Adrian, MI 49221 (United States); Morrison, Nancy D., E-mail: gthompson@adrian.edu, E-mail: nmorris@utnet.utoledo.edu [Ritter Astrophysical Research Center, Department of Physics and Astronomy, University of Toledo, 2801 W. Bancroft, Toledo, OH 43606 (United States)

    2013-04-15

    We present the results of a time series analysis of 130 echelle spectra of {epsilon} Ori (B0 Ia), acquired over seven observing seasons between 1998 and 2006 at Ritter Observatory. The equivalent widths of H{alpha} (net) and He I {lambda}5876 were measured and radial velocities were obtained from the central absorption of He I {lambda}5876. Temporal variance spectra (TVS) revealed significant wind variability in both H{alpha} and He I {lambda}5876. 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 H{alpha} 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.

  11. Photoemission spectra of charge density wave states in cuprates

    Science.gov (United States)

    Tu, Wei-Lin; Chen, Peng-Jen; Lee, Ting-Kuo

    Angle-resolved photoemission spectroscopy(ARPES) experiments have reported many exotic properties of cuprates, such as Fermi arc at normal state, two gaps at superconducting state and particle-hole asymmetry at the antinodal direction. On the other hand, a number of inhomogeneous states or so-called charge density waves(CDW) states have also been discovered in cuprates by many experimental groups. The relation between these CDW states and ARPES spectra is unclear. With the help of Gutzwiller projected mean-field theory, we can reproduce the quasiparticle spectra in momentum space. The spectra show strong correspondence to the experimental data with afore-mentioned exotic features in it.

  12. Simultaneity on the Rotating Disk

    Science.gov (United States)

    Koks, Don

    2017-04-01

    The disk that rotates in an inertial frame in special relativity has long been analysed by assuming a Lorentz contraction of its peripheral elements in that frame, which has produced widely varying views in the literature. We show that this assumption is unnecessary for a disk that corresponds to the simplest form of rotation in special relativity. After constructing such a disk and showing that observers at rest on it do not constitute a true rotating frame, we choose a "master" observer and calculate a set of disk coordinates and spacetime metric pertinent to that observer. We use this formalism to resolve the "circular twin paradox", then calculate the speed of light sent around the periphery as measured by the master observer, to show that this speed is a function of sent-direction and disk angle traversed. This result is consistent with the Sagnac Effect, but constitutes a finer analysis of that effect, which is normally expressed using an average speed for a full trip of the periphery. We also use the formalism to give a resolution of "Selleri's paradox".

  13. Rotational dynamics of propylene inside Na-Y zeolite cages

    Indian Academy of Sciences (India)

    V K Sharma; Mala N Rao; Siddharth Gautam; A K Tripathi; V S Kamble; S L Chaplot; R Mukhopadhyay

    2008-11-01

    We report here the quasielastic neutron scattering (QENS) studies on the dynamics of propylene inside Na-Y zeolite using triple axis spectrometer (TAS) at Dhruva reactor, Trombay. Molecular dynamics (MD) simulations performed on the system had shown that the rotational motion involves energy larger than that involved in the translational motion. Therefore, rotational motion was not observed in our earlier QENS studies on propylene adsorbed Na-Y zeolite using a higher resolution spectrometer at Dhruva. Analysis of the TAS spectra revealed that the quasielastic broadening observed in propylene-loaded zeolite spectra is due to the rotational motion of the propylene molecules. This is consistent with our simulation result. Further, the rotational motion is found to be isotropic. The rotational diffusion coefficient has been obtained.

  14. Spectroscopically resolving the Algol triple system

    CERN Document Server

    Kolbas, V; Southworth, J; Lee, C -U; Lee, D -J; Lee, J W; Kim, S -L; Kim, H -I; Smalley, B; Tkachenko, A

    2015-01-01

    Algol ($\\beta$ Persei) is the prototypical semi-detached eclipsing binary and a hierarchical triple system. From 2006 to 2010 we obtained 121 high-resolution and high-S/N \\'{e}chelle spectra of this object. Spectral disentangling yields the individual spectra of all three stars, and greatly improved elements both the inner and outer orbits. We find masses of $M_{\\rm A} = 3.39\\pm0.06$ M$_\\odot$, $M_{\\rm B} = 0.770\\pm0.009$ M$_\\odot$ and $M_{\\rm C} = 1.58\\pm0.09$ M$_\\odot$. The disentangled spectra also give the light ratios between the components in the $B$ and $V$ bands. Atmospheric parameters for the three stars are determined, including detailed elemental abundances for Algol A and Algol C. We find the following effective temperatures: $T_{\\rm A} = 12\\,550\\pm120$ K, $T_{\\rm B} = 4900\\pm300$ K and $T_{\\rm C} = 7550\\pm250$ K. The projected rotational velocities are $v_{\\rm A} \\sin i_{\\rm A} = 50.8\\pm0.8$ km/s, $v_{\\rm B} \\sin i_{\\rm B} = 62\\pm2$ km/s and $v_{\\rm C} \\sin i_{\\rm C} = 12.4\\pm0.6$ km/s. This is t...

  15. Spectra and strains

    CERN Document Server

    Golyshev, V

    2008-01-01

    This is a blend of two informal reports on the activities of the seminar on Galois representations and mirror symmetry given at the Conference on classification problems and mirror duality at the Steklov Institute, in March 2006, and at the Seminar on Algebra, Geometry and Physics at MPI, in November 2007. We assess where we are on the issue of the spectra of Fano varieties, and state problems. We introduce higher dimensional irreducible analogues of dessins, the low ramified sheaves, and hypothesize that Fano spectra relate to their geometric conductors. We give a recipe to a physicist.

  16. Rotational Study of Natural Amino Acid Glutamine

    Science.gov (United States)

    Varela, Marcelino; Cabezas, Carlos; Alonso, José L.

    2014-06-01

    Recent improvements in laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW) have allowed the investigation of glutamine (COOH-CH(NH2)-CH2-CH2-CONH2), a natural amino acid with a long polar side chain. One dominant structure has been detected in the rotational spectrum. The nuclear quadrupole hyperfine structure of two 14N nuclei has been totally resolved allowing the conclusive identification of the observed species.

  17. Ionic rotational branching ratios in resonant enhanced multiphoton ionization of NO via the A2Sigma(+)(3s sigma) and D2Sigma(+)(3p sigma) states

    Science.gov (United States)

    Rudolph, H.; McKoy, V.; Dixit, S. N.; Huo, W. M.

    1988-01-01

    Results are presented for the rotationally resolved photoelectron spectra resulting from a (2 + 1) one-color resonant enhanced multiphoton ionization (REMPI) of NO via the rotationally clean S21(11.5) and mixed S11(15.5) + R21(15.5) branches of the 0-0 transition in the D-X band. The calculations were done in the fixed-nuclei frozen core approximation. The resulting photoionization spectra, convoluted with a Lorentzian detection function, agree qualitatively with experimental results of Viswanathan et al. (1986) and support their conclusion that the nonspherical nature of the molecular potential creates a substantial l-mixing in the continuum, which in turn leads to the intense Delta N = 0 peak. The rather strong photoelectron energy dependence of the rotational branching ratios of the D 2Sigma(+) S21(11.5) line was investigated and compared to the weak energy dependence of the A 2Sigma(+) R22(21.5) line.

  18. Real-time bilinear rotation decoupling in absorptive mode J-spectroscopy: Detecting low-intensity metabolite peak close to high-intensity metabolite peak with convenience

    Science.gov (United States)

    Verma, Ajay; Baishya, Bikash

    2016-05-01

    "Pure shift" NMR spectra display singlet peak per chemical site. Thus, high resolution is offered at the cost of valuable J-coupling information. In the present work, real-time BIRD (BIlinear Rotation Decoupling) is applied to the absorptive-mode 2D J-spectroscopy to provide pure shift spectrum in the direct dimension and J-coupling information in the indirect dimension. Quite often in metabolomics, proton NMR spectra from complex bio-fluids display tremendous signal overlap. Although conventional J-spectroscopy in principle overcomes this problem by separating the multiplet information from chemical shift information, however, only magnitude mode of the experiment is practical, sacrificing much of the potential high resolution that could be achieved. Few J-spectroscopy methods have been reported so far that produce high-resolution pure shift spectrum along with J-coupling information for crowded spectral regions. In the present work, high-quality J-resolved spectrum from important metabolomic mixture such as tissue extract from rat cortex is demonstrated. Many low-intensity metabolite peaks which are obscured by the broad dispersive tails from high-intensity metabolite peaks in regular magnitude mode J-spectrum can be clearly identified in real-time BIRD J-resolved spectrum. The general practice of removing such spectral overlap is tedious and time-consuming as it involves repeated sample preparation to change the pH of the tissue extract sample and subsequent spectra recording.

  19. Real-time bilinear rotation decoupling in absorptive mode J-spectroscopy: Detecting low-intensity metabolite peak close to high-intensity metabolite peak with convenience.

    Science.gov (United States)

    Verma, Ajay; Baishya, Bikash

    2016-05-01

    "Pure shift" NMR spectra display singlet peak per chemical site. Thus, high resolution is offered at the cost of valuable J-coupling information. In the present work, real-time BIRD (BIlinear Rotation Decoupling) is applied to the absorptive-mode 2D J-spectroscopy to provide pure shift spectrum in the direct dimension and J-coupling information in the indirect dimension. Quite often in metabolomics, proton NMR spectra from complex bio-fluids display tremendous signal overlap. Although conventional J-spectroscopy in principle overcomes this problem by separating the multiplet information from chemical shift information, however, only magnitude mode of the experiment is practical, sacrificing much of the potential high resolution that could be achieved. Few J-spectroscopy methods have been reported so far that produce high-resolution pure shift spectrum along with J-coupling information for crowded spectral regions. In the present work, high-quality J-resolved spectrum from important metabolomic mixture such as tissue extract from rat cortex is demonstrated. Many low-intensity metabolite peaks which are obscured by the broad dispersive tails from high-intensity metabolite peaks in regular magnitude mode J-spectrum can be clearly identified in real-time BIRD J-resolved spectrum. The general practice of removing such spectral overlap is tedious and time-consuming as it involves repeated sample preparation to change the pH of the tissue extract sample and subsequent spectra recording.

  20. Statistical properties of quantum spectra in nuclei

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Some aspects of quantum chaos in a finite system have been studied based on the analysis of statistical behavior of quantum spectra in nuclei.The experiment data show the transition from order to chaos with increasing excitation energy in spherical nuclei.The dependence of the order to chaos transition on nuclear deformation and nuclear rotating is described.The influence of pairing effect on the order to chaos transition is also discussed.Some important experiment phenomena in nuclear physics have been understood from the point of view of the interplay between order and chaos.

  1. Rotator cuff repair - slideshow

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/presentations/100229.htm Rotator cuff repair - series—Normal anatomy To use the sharing ... to slide 4 out of 4 Overview The rotator cuff is a group of muscles and tendons that ...

  2. On Averaging Rotations

    DEFF Research Database (Denmark)

    Gramkow, Claus

    1999-01-01

    In this article two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very offten the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belong...... approximations to the Riemannian metric, and that the subsequent corrections are inherient in the least squares estimation. Keywords: averaging rotations, Riemannian metric, matrix, quaternion...

  3. Control Circuitry Using Electronic Emulation of a Synchro Signal for Accurate Control of Position and Rate of Rotation for Shafts

    Science.gov (United States)

    Howard, David E. (Inventor); Smith, Dennis A. (Inventor)

    1992-01-01

    The invention herein disclosed is a digital circuit which emulates a synchro signal in a synchro-resolver follower system for precise control of shaft position and rotation at very low rotational rates. The subject invention replaces the synchro and drive motor in a synchroresolver follower system with a digital and analog synchro emulation circuit for generating the resolver control signal. The synchro emulation circuit includes amplitude modulation means to provide relatively high frequency resolver excitation signals for accurate resolver response even with very low shaft rotation rates.

  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. Rotations with Rodrigues' Vector

    Science.gov (United States)

    Pina, E.

    2011-01-01

    The rotational dynamics was studied from the point of view of Rodrigues' vector. This vector is defined here by its connection with other forms of parametrization of the rotation matrix. The rotation matrix was expressed in terms of this vector. The angular velocity was computed using the components of Rodrigues' vector as coordinates. It appears…

  6. On Averaging Rotations

    DEFF Research Database (Denmark)

    Gramkow, Claus

    2001-01-01

    In this paper two common approaches to averaging rotations are compared to a more advanced approach based on a Riemannian metric. Very often the barycenter of the quaternions or matrices that represent the rotations are used as an estimate of the mean. These methods neglect that rotations belong...

  7. Disambiguation of Mental Rotation by Spatial Frames of Reference

    Directory of Open Access Journals (Sweden)

    Nobuhiko Asakura

    2011-06-01

    Full Text Available Previous research has shown that our ability to imagine object rotations is limited and associated with spatial reference frames; performance is poor unless the axis of rotation is aligned with the object-intrinsic frame or with the environmental frame. Here, we report an active effect of these reference frames on the process of mental rotation: they can disambiguate object rotations when the axis of rotation is ambiguous. Using novel mental rotation stimuli, in which the rotational axes between pairs of objects can be defined with respect to multiple frames of reference, we demonstrate that the vertical axis is preferentially used for imagined object rotations over the object-intrinsic axis for an efficient minimum rotation. In contrast, the object-intrinsic axis can play a decisive role when the vertical axis is absent as a way of resolving the ambiguity of rotational motion. When interpreted in conjunction with recent advances in the Bayesian framework for motion perception, our results suggest that these spatial frames of reference are incorporated into an internal model of object rotations, thereby shaping our ability to imagine the transformation of an object's spatial structure.

  8. A transient fuel cell model to simulate HTPEM fuel cell impedance spectra

    DEFF Research Database (Denmark)

    Vang, Jakob Rabjerg; Andreasen, Søren Juhl; Kær, Søren Knudsen

    2011-01-01

    This paper presents a spatially resolved transient fuel cell model applied to the simulation of high temperature PEM fuel cell impedance spectra. The model is developed using a 2D finite volume method approach. The model is resolved along the channel and across the membrane. The model considers d...

  9. Application of two-dimensional J-resolved nuclear magnetic resonance spectroscopy to differentiation of beer

    Energy Technology Data Exchange (ETDEWEB)

    Khatib, Alfi [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Wilson, Erica G. [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Kim, Hye Kyong [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Lefeber, Alfons W.M. [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Erkelens, Cornelis [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Choi, Young Hae [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)]. E-mail: y.choi@chem.leidenuniv.nl; Verpoorte, Robert [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)

    2006-02-16

    A number of ingredients in beer that directly or indirectly affect its quality require an unbiased wide-spectrum analytical method that allows for the determination of a wide array of compounds for its efficient control. {sup 1}H nuclear magnetic resonance (NMR) spectroscopy is a method that clearly meets this description as the broad range of compounds in beer is detectable. However, the resulting congestion of signals added to the low resolution of {sup 1}H NMR spectra makes the identification of individual components very difficult. Among two-dimensional (2D) NMR techniques that increase the resolution, J-resolved NMR spectra were successfully applied to the analysis of 2-butanol extracts of beer as overlapping signals in {sup 1}H NMR spectra were fully resolved by the additional axis of the coupling constant. Principal component analysis based on the projected J-resolved NMR spectra showed a clear separation between all of the six brands of pilsner beer evaluated in this study. The compounds responsible for the differentiation were identified by 2D NMR spectra including correlated spectroscopy and heteronuclear multiple bond correlation spectra together with J-resolved spectra. They were identified as nucleic acid derivatives (adenine, uridine and xanthine), amino acids (tyrosine and proline), organic acid (succinic and lactic acid), alcohol (tyrosol and isopropanol), cholines and carbohydrates.

  10. Rotational Diffusion of Particles in Turbulence

    Science.gov (United States)

    Variano, Evan; Meyer, Colin; Byron, Margaret

    2011-11-01

    We experimentally compare the rotation of spherical and ellipsoidal particles in homogeneous, isotropic turbulence. We find that the particle orientation is well described by a Gaussian diffusion process. This theoretical model would predict that the Lagrangian autocorrelation function for angular velocity is a negative exponential. We measure this Lagrangian autocorrelation function using stereoscopic particle image velocimetry (SPIV) applied to particles whose size is within the inertial subrange of the ambient turbulence. The SPIV resolves 3 velocity components in a nearly 2-dimensional planar volume, which we use as inputs for a nonlinear optimization to quantify the solid body rotation of the particles. This provides us the angular velocity timeseries for individual particles. Through ensemble statistics, we determine the Lagrangian autocorrelation function of angular velocity, from which we can quantify the turbulent rotational diffusivity and its behavior between the extremes of short-term non-Fickian transport and long-term Fickian diffusion.

  11. Rotational diffusion of particles in turbulence

    CERN Document Server

    Meyer, Colin R

    2013-01-01

    Through laboratory measurements, we compare the rotation of spherical and ellipsoidal particles in homogeneous, isotropic turbulence. We find that the particles' angular velocity statistics are well described by an Ornstein-Uhlenbeck (OU) process. This theoretical model predicts that the Lagrangian autocovariance of particles' angular velocity will decay exponentially. We measure the autocovariance using stereoscopic particle image velocimetry (SPIV) applied to particles whose size is within the inertial subrange of the ambient turbulence. The SPIV resolves the motion of points interior to the particles, from which we calculate the solid body rotation of the particles. This provides us with the angular velocity time series for individual particles. Through ensemble statistics, we determine the autocovariance of angular velocity and confirm that it matches the form predicted by an OU process. We can further use the autocovariance curve to quantify the turbulent rotational diffusivity.

  12. Space-Time Resolved Capillary Wave Turbulence

    CERN Document Server

    Berhanu, Michael

    2012-01-01

    We report experiments on the full space and time resolved statistics of capillary wave turbulence at the air-water interface. The three-dimensional shape of the free interface is measured as a function of time by using the optical method of Diffusing Light Photography associated with a fast camera. Linear and nonlinear dispersion relations are extracted from the spatio-temporal power spectrum of wave amplitude. When wave turbulence regime is reached, we observe power-law spectra both in frequency and in wave number, whose exponents are found in agreement with the predictions of capillary wave turbulence theory. Finally, the temporal dynamics of the spatial energy spectrum highlights the occurrence of stochastic bursts transferring wave energy through the spatial scales.

  13. Predictors of human rotation.

    Science.gov (United States)

    Stochl, Jan; Croudace, Tim

    2013-01-01

    Why some humans prefer to rotate clockwise rather than anticlockwise is not well understood. This study aims to identify the predictors of the preferred rotation direction in humans. The variables hypothesised to influence rotation preference include handedness, footedness, sex, brain hemisphere lateralisation, and the Coriolis effect (which results from geospatial location on the Earth). An online questionnaire allowed us to analyse data from 1526 respondents in 97 countries. Factor analysis showed that the direction of rotation should be studied separately for local and global movements. Handedness, footedness, and the item hypothesised to measure brain hemisphere lateralisation are predictors of rotation direction for both global and local movements. Sex is a predictor of the direction of global rotation movements but not local ones, and both sexes tend to rotate clockwise. Geospatial location does not predict the preferred direction of rotation. Our study confirms previous findings concerning the influence of handedness, footedness, and sex on human rotation; our study also provides new insight into the underlying structure of human rotation movements and excludes the Coriolis effect as a predictor of rotation.

  14. Rotational Doppler effect in nonlinear optics

    Science.gov (United States)

    Li, Guixin; Zentgraf, Thomas; Zhang, Shuang

    2016-08-01

    The translational Doppler effect of electromagnetic and sound waves has been successfully applied in measurements of the speed and direction of vehicles, astronomical objects and blood flow in human bodies, and for the Global Positioning System. The Doppler effect plays a key role for some important quantum phenomena such as the broadened emission spectra of atoms and has benefited cooling and trapping of atoms with laser light. Despite numerous successful applications of the translational Doppler effect, it fails to measure the rotation frequency of a spinning object when the probing wave propagates along its rotation axis. This constraint was circumvented by deploying the angular momentum of electromagnetic waves--the so-called rotational Doppler effect. Here, we report on the demonstration of rotational Doppler shift in nonlinear optics. The Doppler frequency shift is determined for the second harmonic generation of a circularly polarized beam passing through a spinning nonlinear optical crystal with three-fold rotational symmetry. We find that the second harmonic generation signal with circular polarization opposite to that of the fundamental beam experiences a Doppler shift of three times the rotation frequency of the optical crystal. This demonstration is of fundamental significance in nonlinear optics, as it provides us with insight into the interaction of light with moving media in the nonlinear optical regime.

  15. The spatial rotator

    DEFF Research Database (Denmark)

    Rasmusson, Allan; Hahn, Ute; Larsen, Jytte Overgaard

    2013-01-01

    to identify the specific tissue region under study. In order to use the spatial rotator in practice, however, it is necessary to be able to identify intersection points between cell boundaries and test rays in a series of parallel focal planes, also at the peripheral parts of the cell boundaries. In cases......This paper presents a new local volume estimator, the spatial rotator, which is based on measurements on a virtual 3D probe, using computer assisted microscopy. The basic design of the probe builds upon the rotator principle which requires only a few manual intersection markings, thus making...... the spatial rotator fast to use. Since a 3D probe is involved, it is expected that the spatial rotator will be more efficient than the the nucleator and the planar rotator, which are based on measurements in a single plane. An extensive simulation study shows that the spatial rotator may be more efficient...

  16. Data processing of absorption spectra from photoionized plasma experiments at Z

    Energy Technology Data Exchange (ETDEWEB)

    Hall, I. M.; Durmaz, T.; Mancini, R. C. [Department of Physics, University of Nevada, Reno, Nevada 89557 (United States); Bailey, J. E.; Rochau, G. A. [Sandia National Laboratories, Albuquerque, New Mexico 87185-1196 (United States)

    2010-10-15

    We discuss the processing of x-ray absorption spectra from photoionized plasma experiments at Z. The data was recorded with an imaging spectrometer equipped with two elliptically bent potassium acid phthalate (KAP) crystals. Both time-integrated and time-resolved data were recorded. In both cases, the goal is to obtain the transmission spectra for quantitative analysis of plasma conditions.

  17. Direct recovery of fluctuation spectra from tomographic shear spectra

    Science.gov (United States)

    Mezzetti, Marino; Bonometto, Silvio A.; Casarini, Luciano; Murante, Giuseppe

    2012-06-01

    Forthcoming experiments will enable us to determine high precision tomographic shear spectra. Matter density fluctuation spectra, at various z, should then be recovered from them, in order to constrain the model and determine the DE state equation. Available analytical expressions, however, do the opposite, enabling us to derive shear spectra from fluctuation spectra. Here we find the inverse expression, yielding density fluctuation spectra from observational tomographic shear spectra. The procedure involves SVD techniques for matrix inversion. We show in detail how the approach works and provide a few examples.

  18. Feature-based attention resolves depth ambiguity.

    Science.gov (United States)

    Yu, D; Levinthal, B; Franconeri, S L

    2016-09-07

    Perceiving the world around us requires that we resolve ambiguity. This process is often studied in the lab using ambiguous figures whose structures can be interpreted in multiple ways. One class of figures contains ambiguity in its depth relations, such that either of two surfaces could be seen as being the "front" of an object. Previous research suggests that selectively attending to a given location on such objects can bias the perception of that region as the front. This study asks whether selectively attending to a distributed feature can also bias that region toward the front. Participants viewed a structure-from-motion display of a rotating cylinder that could be perceived as rotating clockwise or counterclockwise (as imagined viewing from the top), depending on whether a set of red or green moving dots were seen as being in the front. A secondary task encouraged observers to globally attend to either red or green. Results from both Experiment 1 and 2 showed that the dots on the cylinder that shared the attended feature, and its corresponding surface, were more likely to be seen as being in the front, as measured by participants' clockwise versus counterclockwise percept reports. Feature-based attention, like location-based attention, is capable of biasing competition among potential interpretations of figures with ambiguous structure in depth.

  19. Abundance analysis of prime B-type targets for asteroseismology I. Nitrogen excess in slowly-rotating beta Cephei stars

    CERN Document Server

    Morel, T; Aerts, C; Neiner, C; Briquet, M

    2006-01-01

    We present the results of a detailed NLTE abundance study of nine beta Cephei stars, all of them being prime targets for theoretical modelling: gamma Peg, delta Cet, nu Eri, beta CMa, xi1 CMa, V836 Cen, V2052 Oph, beta Cep and DD (12) Lac. The following chemical elements are considered: He, C, N, O, Mg, Al, Si, S and Fe. Our abundance analysis is based on a large number of time-resolved, high-resolution optical spectra covering in most cases the entire oscillation cycle of the stars. Nitrogen is found to be enhanced by up to 0.6 dex in four stars, three of which have severe constraints on their equatorial rotational velocity, \\Omega R, from seismic or line-profile variation studies: beta Cep (\\Omega R~26 km/s), V2052 Oph (\\Omega R~56 km/s), delta Cet (\\Omega R < 28 km/s) and xi1 CMa (\\Omega R sin i < 10 km/s). The existence of core-processed material at the surface of such largely unevolved, slowly-rotating objects is not predicted by current evolutionary models including rotation. We draw attention to ...

  20. Gamma-ray strength functions in thermally excited rotating nuclei

    CERN Document Server

    Døssing, T; Maj, A; Matsuo, M; Vigezzi, E; Bracco, A; Leoni, S; Broglia, R A

    2001-01-01

    A general discussion and illustration is given of strength functions for rotational transitions in two-dimensional E(gamma_1) x E(gamma_2) spectra. Especially, a narrow component should be proportional to the compound damping width, related to the mixing of basis rotational bands into compound bands with fragmented transition strength. Three E(gamma_1) x E(gamma_2) spectra are made by setting gates on triple coincidences, selecting cascades which feed into specific low-lying bands in the nucleus 168Hf. In each of the gated spectra, we find a ridge, carrying about 100 decay paths. This ridge is ascribed to rotational transitions in the excitation energy range of 1.0 to 1.5 MeV above the yrast line. The FWHM of the ridges are around 40 keV, about a factor of two smaller than calculated on the basis of mixed cranked mean field bands.

  1. Demystifying the coronal line region of active galactic nuclei: spatially resolved spectroscopy with HST

    CERN Document Server

    Mazzalay, Ximena; Komossa, S

    2010-01-01

    We present an analysis of STIS/HST optical spectra of a sample of ten Seyfert galaxies aimed at studying the structure and physical properties of the coronal-line region (CLR). The high-spatial resolution provided by STIS allowed us to resolve the CLR and obtain key information about the kinematics of the coronal-line gas, measure directly its spatial scale, and study the mechanisms that drive the high-ionisation lines. We find CLRs extending from just a few parsecs (~10 pc) up to 230 pc in radius, consistent with the bulk of the coronal lines (CLs) originating between the BLR and NLR, and extending into the NLR in the case of [FeVII] and [NeV] lines. The CL profiles strongly vary with the distance to the nucleus. We observed line splitting in the core of some of the galaxies. Line peak shifts, both red- and blue-shifts, typically reached 500 km/s, and even higher velocities (1000 km/s) in some of the galaxies. In general, CLs follow the same pattern of rotation curves as low-ionisation lines like [OIII]. Fro...

  2. Spatially resolved properties of the GRB 060505 host: implications for the nature of the progenitor

    CERN Document Server

    Thoene, C C; Oestlin, G; Milvang-Jensen, B; Wiersema, K; Malesani, D; Ferreira, D D M; Gorosabel, J; Kann, D A; Watson, D; Michalowski, M J; Hjorth, J; Fruchter, A S; Sollerman, J; Thoene, Christina C.; Fynbo, Johan P. U.; Oestlin, Goeran; Milvang-Jensen, Bo; Wiersema, Klaas; Malesani, Daniele; Ferreira, Desiree Della Monica; Gorosabel, Javier; Watson, Darach; Michalowski, Michal J.; Hjorth, Jens; Fruchter, Andrew S.; Sollerman, Jesper

    2007-01-01

    GRB 060505 was the first well-observed nearby long-duration GRB that had no associated supernova. Here we present spatially resolved spectra of the host galaxy of GRB 060505, an Sbc spiral, at redshift z=0.0889. The GRB occurred inside a star-forming region in the northern spiral arm at 6.5 kpc from the center. From the position of the emission lines, we determine a maximum rotational velocity for the galaxy of v ~ 212 km/s corresponding to a mass of 1.3x10^11 M_solar within 24 kpc. The Halpha equivalent width at the GRB site gives a very young age of <~ 7 Myr. By fitting single-age spectral synthesis models to the stellar continuum, we derive ages for the dominant stellar populations in different parts of the galaxy resulting in ~ 800 Myr for the bulge an only ~ 47 Myr for the GRB site. The metallicity derived from the R_23 parameter is lowest at the GRB site with 0.14 Z_solar but roughly solar in the rest of the galaxy. The extinction in the galaxy is overall low with A_V < 0.40 mag in the bulge and A...

  3. Microwave spectra of the SiH4-H2O complex: A new sort of intermolecular interaction

    Science.gov (United States)

    Kawashima, Yoshiyuki; Suenram, Richard D.; Hirota, Eizi

    2016-09-01

    Microwave spectral patterns observed for the silane-water complex were found much different from those of the methane-water complex. The SiH4-H2O complex is likely to have a tightly bound structure. The effective rotational and centrifugal distortion constants: B = 3621.1193 (45) MHz and DJ = 49.84 (30) kHz led to the distance between the Si and O atoms in the complex to be 3.3 Å, much shorter than the C and O separation in the CH4-H2O of 3.7 Å, and to the silane-water stretching force constant and stretching frequency to be 2.88 N/m and 65 cm-1, respectively, which are to be compared with 1.52 N/m and 55 cm-1 of the CH4-H2O. The characteristic features of the spectra observed for the main species 28SiH4-H2O are common to those of isotopic species: 29SiH4-H2O, 30SiH4-H2O, 28SiH4-H218O, 28SiH4-D2O, 29SiH4-D2O, 30SiH4-D2O, 28SiH4-HDO, 29SiH4-HDO, 30SiH4-HDO, 28SiD4-H2O, 28SiD4-D2O, and 28SiD4-HDO. The observed spectra also indicate that the silane executes a threefold internal rotation about one of its four Si-H bonds, while the C2 symmetry axis of the water is bent away from the internal-rotation axis. An internal axis method analysis yielded an estimate of the internal-rotation potential barrier V3 to be 140 ± 50 cm-1, and those based on diagonalization of a principal axis method Hamiltonian matrix and on the extended internal axis method resulted in V3 ranging from 180 to 100 cm-1, depending on the isotopic species studied. All the measurements were done by using a pulsed nozzle Fourier transform microwave spectrometer, and the spectral assignments were made with the aid of the Stark effect, which yielded the dipole moment to be 1.730 (10) D. Transitions in higher energy states of the SiH4 internal rotation were observed, clearly resolved from the main lines, when the carrier gas was replaced from Ar to Ne.

  4. Time resolved spectroscopic studies on some nanophosphors

    Indian Academy of Sciences (India)

    Harish Chander; Santa Chawla

    2008-06-01

    Time resolved spectroscopy is an important tool for studying photophysical processes in phosphors. Present work investigates the steady state and time resolved photoluminescence (PL) spectroscopic characteristics of ZnS, ZnO and (Zn, Mg)O nanophosphors both in powder as well as thin film form. Photoluminescence (PL) of ZnS nanophosphors typically exhibit a purple/blue emission peak termed as self activated (SA) luminescence and emission at different wavelengths arising due to dopant impurities e.g. green emission for ZnS : Cu, orange emission for ZnS : Mn and red emission for ZnS : Eu. The lifetimes obtained from decay curves range from ns to ms level and suggest the radiative recombination path involving donor–acceptor pair recombination or internal electronic transitions of the impurity atom. A series of ZnMgO nanophosphor thin films with varied Zn : Mg ratios were prepared by chemical bath deposition. Photoluminescence (PL) excitation and emission spectra exhibit variations with changing Mg ratio. Luminescence lifetime as short as 10-10 s was observed for ZnO and ZnMgO (100 : 10) nanophosphors. With increasing Mg ratio, PL decay shifts into microsecond range. ZnO and ZnMgO alloys up to 50% Mg were prepared as powder by solid state mixing and sintering at high temperature in reducing atmosphere. Time resolved decay of PL indicated lifetime in the microsecond time scale. The novelty of the work lies in clear experimental evidence of dopants (Cu, Mn, Eu and Mg) in the decay process and luminescence life times in II–VI semiconductor nanocrystals of ZnS and ZnO. For ZnS, blue self activated luminescence decays faster than Cu and Mn related emission. For undoped ZnO nanocrystals, PL decay is in the nanosecond range whereas with Mg doping the decay becomes much slower in the microsecond range.

  5. Galaxy cluster's rotation

    CERN Document Server

    Manolopoulou, Maria

    2016-01-01

    We study the possible rotation of cluster galaxies, developing, testing and applying a novel algorithm which identifies rotation, if such does exits, as well as its rotational centre, its axis orientation, rotational velocity amplitude and, finally, the clockwise or counterclockwise direction of rotation on the plane of the sky. To validate our algorithms we construct realistic Monte-Carlo mock rotating clusters and confirm that our method provides robust indications of rotation. We then apply our methodology on a sample of Abell clusters with z<~0.1 with member galaxies selected from the SDSS DR10 spectroscopic database. We find that ~35% of our clusters are rotating when using a set of strict criteria, while loosening the criteria we find this fraction increasing to ~48%. We correlate our rotation indicators with the cluster dynamical state, provided either by their Bautz-Morgan type or by their X-ray isophotal shape and find for those clusters showing rotation that the significance and strength of their...

  6. Coherent spin-rotational dynamics of oxygen super rotors

    CERN Document Server

    Milner, Alexander A; Milner, Valery

    2014-01-01

    We use state- and time-resolved coherent Raman spectroscopy to study the rotational dynamics of oxygen molecules in ultra-high rotational states. While it is possible to reach rotational quantum numbers up to $N \\approx 50$ by increasing the gas temperature to 1500 K, low population levels and gas densities result in correspondingly weak optical response. By spinning O$_2$ molecules with an optical centrifuge, we efficiently excite extreme rotational states with $N\\leqslant 109$ in high-density room temperature ensembles. Fast molecular rotation results in the enhanced robustness of the created rotational wave packets against collisions, enabling us to observe the effects of weak spin-rotation coupling in the coherent rotational dynamics of oxygen. The decay rate of spin-rotation coherence due to collisions is measured as a function of the molecular angular momentum and explained in terms of the general scaling law. We find that at high values of $N$, the rotational decoherence of oxygen is much faster than t...

  7. Time-series Doppler imaging of the red giant HD 208472. Active longitudes and differential rotation

    CERN Document Server

    Özdarcan, O; Künstler, A; Strassmeier, K G; Evren, S; Weber, M; Granzer, T

    2016-01-01

    HD 208472 is among the most active RS~CVn binaries with cool starspots. Decade-long photometry has shown that the spots seem to change their longitudinal appearance with a period of about six years, coherent with brightness variations. Our aim is to spatially resolve the stellar surface of HD 208472 and relate the photometric results to the true longitudinal and latitudinal spot appearance. Furthermore, we investigate the surface differential rotation pattern of the star. We employed three years of high-resolution spectroscopic data with a high signal-to-noise ratio (S/N) from the STELLA robotic observatory and determined new and more precise stellar physical parameters. Precalculated synthetic spectra were fit to each of these spectra, and we provide new spot-corrected orbital elements. A sample of 34 absorption lines per spectrum was used to calculate mean line profiles with a S/N of several hundred. A total of 13 temperature Doppler images were reconstructed from these line profiles with the inversion code...

  8. Two small-scale inertial ranges in rotating helical turbulence and the return to isotropy

    CERN Document Server

    Mininni, P D; Pouquet, A

    2011-01-01

    We present numerical evidence of how three-dimensionalization occurs at small scale in rotating turbulence with helical forcing using a Beltrami (ABC) flow. The Zeman scale $\\ell_{\\Omega}$ at which the inertial and eddy turn-over times are equal is more than one order of magnitude larger than the dissipation scale, with the relevant domains (large-scale inverse cascade of energy, dual regime in the direct cascade of energy $E$ and helicity $H$, and dissipation) each moderately resolved. %These results stem from the analysis of a large direct numerical simulation on a The grid has $3072^3$ points, with Rossby and Reynolds numbers of respectively 0.07 and $2.7\\times 10^4$. At scales smaller than the forcing, a helical wave-modulated inertial law for the energy and helicity spectra is followed beyond $\\ell_{\\Omega}$ by Kolmogorov spectra for $E$ and $H$ with a small bottleneck. Looking at the two-dimensional slow manifold, we also show that the helicity spectrum breaks down at $\\ell_{\\Omega}$, a clear sign of re...

  9. Atomic and Molecular Aspects of Astronomical Spectra

    Science.gov (United States)

    Sochi, Taha

    2012-11-01

    In the first section we present the atomic part where a C2+ atomic target was prepared and used to generate theoretical data to investigate recombination lines arising from electron-ion collisions in thin plasma. R-matrix method was used to describe the C2+ plus electron system. Theoretical data concerning bound and autoionizing states were generated in the intermediate-coupling approximation. The data were used to generate dielectronic recombination data for C+ which include transition lines, oscillator strengths, radiative transition probabilities, emissivities and dielectronic recombination coefficients. The data were cast in a line list containing 6187 optically-allowed transitions which include many C II lines observed in astronomical spectra. This line list was used to analyze the spectra from a number of astronomical objects, mainly planetary nebulae, and identify their electron temperature. The electron temperature investigation was also extended to include free electron energy analysis to investigate the long-standing problem of discrepancy between the results of recombination and forbidden lines analysis and its possible connection to the electron distribution. In the second section we present the results of our molecular investigation; the generation of a comprehensive, calculated line list of frequencies and transition probabilities for H2D+. The line list contains over 22 million rotational-vibrational transitions occurring between more than 33 thousand energy levels and covers frequencies up to 18500 cm-1. About 15% of these levels are fully assigned with approximate rotational and vibrational quantum numbers. A temperature-dependent partition function and cooling function are presented. Temperature-dependent synthetic spectra for the temperatures T=100, 500, 1000 and 2000 K in the frequency range 0-10000 cm-1 were also generated and presented graphically.

  10. Cascades and dissipation ratio in rotating magnetohydrodynamic turbulence at low magnetic Prandtl number.

    Science.gov (United States)

    Plunian, Franck; Stepanov, Rodion

    2010-10-01

    A phenomenology of isotropic magnetohydrodynamic (MHD) turbulence subject to both rotation and applied magnetic field is presented. It is assumed that the triple correlation decay time is the shortest between the eddy turn-over time and the ones associated to the rotating frequency and the Alfvén wave period. For Pm=1 it leads to four kinds of piecewise spectra, depending on four parameters: injection rate of energy, magnetic diffusivity, rotation rate, and applied field. With a shell model of MHD turbulence (including rotation and applied magnetic field), spectra for Pm ≤ 1 are presented, together with the ratio between magnetic and viscous dissipations.

  11. Note: A new angle-resolved proton energy spectrometer

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Y.; Su, L. N.; Liu, M.; Liu, B. C.; Shen, Z. W.; Fan, H. T.; Li, Y. T.; Chen, L. M.; Lu, X.; Ma, J. L.; Wang, W. M.; Wang, Z. H.; Wei, Z. Y. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Zhang, J. [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Key Laboratory for Laser Plasmas (MoE) and Department of Physics, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2013-09-15

    In typical laser-driven proton acceleration experiments Thomson parabola proton spectrometers are used to measure the proton spectra with very small acceptance angle in specific directions. Stacks composed of CR-39 nuclear track detectors, imaging plates, or radiochromic films are used to measure the angular distributions of the proton beams, respectively. In this paper, a new proton spectrometer, which can measure the spectra and angular distributions simultaneously, has been designed. Proton acceleration experiments performed on the Xtreme light III laser system demonstrates that the spectrometer can give angle-resolved spectra with a large acceptance angle. This will be conductive to revealing the acceleration mechanisms, optimization, and applications of laser-driven proton beams.

  12. Angle resolved photoemission in semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Petroff, Y.

    1983-02-01

    Bases of angular resolved photoemission: determination of the electronic band structure of solids (bulk), measurements of life-time and mean free path, determination of surfaces states (valence and core) and their relationship with surface reconstruction are described.

  13. UV spectra of benzene isotopomers and dimers in helium nanodroplets

    Science.gov (United States)

    Schmied, Roman; ćarçabal, Pierre; Dokter, Adriaan M.; Lonij, Vincent P. A.; Lehmann, Kevin K.; Scoles, Giacinto

    2004-08-01

    We report spectra of various benzene isotopomers and their dimers in helium nanodroplets in the region of the first Herzberg-Teller allowed vibronic transition 601 1B2u←1A1g (the A00 transition) at ˜260 nm. Excitation spectra have been recorded using both beam depletion detection and laser-induced fluorescence. Unlike for many larger aromatic molecules, the monomer spectra consist of a single "zero-phonon" line, blueshifted by ˜30 cm-1 from the gas phase position. Rotational band simulations show that the moments of inertia of C6H6 in the nanodroplets are at least six-times larger than in the gas phase. The dimer spectra present the same vibronic fine structure (though modestly compressed) as previously observed in the gas phase. The fluorescence lifetime and quantum yield of the dimer are found to be equal to those of the monomer, implying substantial inhibition of excimer formation in the dimer in helium.

  14. The weakly bound He-HCCCN complex: High-resolution microwave spectra and intermolecular potential-energy surface

    Science.gov (United States)

    Topic, Wendy C.; Jäger, Wolfgang

    2005-08-01

    Rotational spectra of the weakly bound He-HCCCN and He-DCCCN van der Waals complexes were observed using a pulsed-nozzle Fourier-transform microwave spectrometer in the 7-26-GHz frequency region. Nuclear quadrupole hyperfine structures due to the N14 and D nuclei (both with nuclear-spin quantum number I =1) were resolved and assigned. Both strong a and weaker b-type transitions were observed and the assigned transitions were used to fit the parameters of a distortable asymmetric rotor model. The dimers are floppy, near T-shaped complexes. Three intermolecular potential-energy surfaces were calculated using the coupled-cluster method with single and double excitations and noniterative inclusion of triple excitations. Bound-state rotational energy levels supported by these surfaces were determined. The quality of the potential-energy surfaces was assessed by comparing the experimental and calculated transition frequencies and also the corresponding spectroscopic parameters. Simple scaling of the surfaces improved both the transition frequencies and spectroscopic constants. Five other recently reported surfaces [O. Akin-Ojo, R. Bukowski, and K. Szalewicz, J. Chem. Phys. 119, 8379 (2003)], calculated using a variety of methods, and their agreement with spectroscopic properties of He-HCCCN are discussed.

  15. Relativistic Rotating Vector Model

    CERN Document Server

    Lyutikov, Maxim

    2016-01-01

    The direction of polarization produced by a moving source rotates with the respect to the rest frame. We show that this effect, induced by pulsar rotation, leads to an important correction to polarization swings within the framework of rotating vector model (RVM); this effect has been missed by previous works. We construct relativistic RVM taking into account finite heights of the emission region that lead to aberration, time-of-travel effects and relativistic rotation of polarization. Polarizations swings at different frequencies can be used, within the assumption of the radius-to-frequency mapping, to infer emission radii and geometry of pulsars.

  16. RESOLVE and ECO: Survey Design

    Science.gov (United States)

    Kannappan, Sheila; Moffett, Amanda J.; Norris, Mark A.; Eckert, Kathleen D.; Stark, David; Berlind, Andreas A.; Snyder, Elaine M.; Norman, Dara J.; Hoversten, Erik A.; RESOLVE Team

    2016-01-01

    The REsolved Spectroscopy Of a Local VolumE (RESOLVE) survey is a volume-limited census of stellar, gas, and dynamical mass as well as star formation and galaxy interactions within >50,000 cubic Mpc of the nearby cosmic web, reaching down to dwarf galaxies of baryonic mass ~10^9 Msun and spanning multiple large-scale filaments, walls, and voids. RESOLVE is surrounded by the ~10x larger Environmental COntext (ECO) catalog, with matched custom photometry and environment metrics enabling analysis of cosmic variance with greater statistical power. For the ~1500 galaxies in its two equatorial footprints, RESOLVE goes beyond ECO in providing (i) deep 21cm data with adaptive sensitivity ensuring HI mass detections or upper limits designed to complement other radio and optical surveys in providing diverse, contiguous, and uniform local/global environment data as well as unusually high completeness extending into the gas-dominated dwarf galaxy regime. RESOLVE also offers superb reprocessed photometry including full, deep NUV coverage and synergy with other equatorial surveys as well as unique northern and southern facilities such as Arecibo, the GBT, and ALMA. The RESOLVE and ECO surveys have been supported by funding from NSF grants AST-0955368 and OCI-1156614.

  17. Unmixing Space Object’s Moderate Resolution Spectra

    Science.gov (United States)

    2013-09-01

    Earth Orbit or for small- sized ones. Spectral unmixing is a non-resolved technique that derives an object’s material composition from one or a series...for small-sized ones. Spectral unmixing is a non-resolved technique that derives an object?s material composition from one or a series of spectra...Aluminized,1 Mil,Kapton side out material 16 0.86 SURF 0072 Aluminum Alloy, 7075 -T6,Alodined material 18 1.08 SURF 0075

  18. Control spectra for Quito

    Science.gov (United States)

    Aguiar, Roberto; Rivas-Medina, Alicia; Caiza, Pablo; Quizanga, Diego

    2017-03-01

    The Metropolitan District of Quito is located on or very close to segments of reverse blind faults, Puengasí, Ilumbisí-La Bota, Carcelen-El Inca, Bellavista-Catequilla and Tangahuilla, making it one of the most seismically dangerous cities in the world. The city is divided into five areas: south, south-central, central, north-central and north. For each of the urban areas, elastic response spectra are presented in this paper, which are determined by utilizing some of the new models of the Pacific Earthquake Engineering Research Center (PEER) NGA-West2 program. These spectra are calculated considering the maximum magnitude that could be generated by the rupture of each fault segment, and taking into account the soil type that exists at different points of the city according to the Norma Ecuatoriana de la Construcción (2015). Subsequently, the recurrence period of earthquakes of high magnitude in each fault segment is determined from the physical parameters of the fault segments (size of the fault plane and slip rate) and the pattern of recurrence of type Gutenberg-Richter earthquakes with double truncation magnitude (Mmin and Mmax) is used.

  19. Meteors and meteorites spectra

    Science.gov (United States)

    Koukal, J.; Srba, J.; Gorková, S.; Lenža, L.; Ferus, M.; Civiš, S.; Knížek, A.; Kubelík, P.; Kaiserová, T.; Váňa, P.

    2016-01-01

    The main goal of our meteor spectroscopy project is to better understand the physical and chemical properties of meteoroids. Astrometric and spectral observations of real meteors are obtained via spectroscopic CCD video systems. Processed meteor data are inserted to the EDMOND database (European viDeo MeteOr Network Database) together with spectral information. The fully analyzed atmospheric trajectory, orbit and also spectra of a Leonid meteor/meteoroid captured in November 2015 are presented as an example. At the same time, our target is the systematization of spectroscopic emission lines for the comparative analysis of meteor spectra. Meteoroid plasma was simulated in a laboratory by laser ablation of meteorites samples using an (ArF) excimer laser and the LIDB (Laser Induced Dielectric Breakdown) in a low pressure atmosphere and various gases. The induced plasma emissions were simultaneously observed with the Echelle Spectrograph and the same CCD video spectral camera as used for real meteor registration. Measurements and analysis results for few selected meteorite samples are presented and discussed.

  20. Rotation in Jets from Young Stars: investigating NUV lines with very high Spectral Resolution

    Science.gov (United States)

    Bacciotti, Francesca

    2003-07-01

    Optical STIS spectra of the jets from DG Tau, RW Aur, TH 28 and LkHa 231 obtained by us {prop IDs. 7311, 9435} show systematic transverse radial velocity shifts in the region where the flow has just been accelerated and collimated {Bacciotti et al, 2002}, i.e. within about 100 AU from the source. We interpret such shifts as evidence for jet rotation. Whether YSO jets rotate is a fundamental question in star formation because it has been suggested that jets might be the way excess angular momentum is removed from the star/disk system, thereby allowing the star to accrete. In particular it is important to know if observed toroidal velocities are in agreement with predictions of magneto-centrifugal jet launching models. The limited spatial and spectral resolution of STIS in the optical however, only allows one to say qualitatively that the observed rotational velocities are in rough agreement with theory. Moreover only the resolved peripheral regions of the flow can be studied. We are proposing here to exploit the higher spatial and spectral resolution of STIS in the NUV to measure transverse jet velocity profiles.This is a task which can only be undertaken by the HST and which is ideally suited to the STIS. To measure the velocity profiles, we will observe the Mg II doublet at 2800 Angstrom {using the E230M echelle and the 6 X 0.2 slit transverse to the flow}. In comparison to the optical, the NUV affords us double the spatial resolution and we will be able to detect velocity differences across the jet down to 2 km/s. Not only should we be able to determine for the first time the detailed rotational velocity profile across a jet but we also expect to spatially resolve the high velocity axial core of the jet in the NUV. Finally we add that as very few NUV observations of the initial jet beam of YSO jets are available, our datasets should be a valuable contribution to the HST archive.

  1. Recording 2-D Nutation NQR Spectra by Random Sampling Method.

    Science.gov (United States)

    Glotova, Olga; Sinyavsky, Nikolaj; Jadzyn, Maciej; Ostafin, Michal; Nogaj, Boleslaw

    2010-10-01

    The method of random sampling was introduced for the first time in the nutation nuclear quadrupole resonance (NQR) spectroscopy where the nutation spectra show characteristic singularities in the form of shoulders. The analytic formulae for complex two-dimensional (2-D) nutation NQR spectra (I = 3/2) were obtained and the condition for resolving the spectral singularities for small values of an asymmetry parameter η was determined. Our results show that the method of random sampling of a nutation interferogram allows significant reduction of time required to perform a 2-D nutation experiment and does not worsen the spectral resolution.

  2. Deconstructing Mental Rotation

    DEFF Research Database (Denmark)

    Larsen, Axel

    2014-01-01

    A random walk model of the classical mental rotation task is explored in two experiments. By assuming that a mental rotation is repeated until sufficient evidence for a match/mismatch is obtained, the model accounts for the approximately linearly increasing reaction times (RTs) on positive trials...... alignment take place during fixations at very high speed....

  3. Short-rotation plantations

    Science.gov (United States)

    Philip E. Pope; Jeffery O. Dawson

    1989-01-01

    Short-rotation plantations offer several advantages over longer, more traditional rotations. They enhance the natural productivity of better sites and of tree species with rapid juvenile growth. Returns on investment are realized in a shorter period and the risk of loss is reduced compared with long term investments. Production of wood and fiber can be maximized by...

  4. SMAP Faraday Rotation

    Science.gov (United States)

    Le Vine, David

    2016-01-01

    Faraday rotation is a change in the polarization as signal propagates through the ionosphere. At L-band it is necessary to correct for this change and measurements are made on the spacecraft of the rotation angle. These figures show that there is good agreement between the SMAP measurements (blue) and predictions based on models (red).

  5. Cassini RPWS Observation of Saturn's Radio Rotation Rates After Equinox

    Science.gov (United States)

    Ye, S.; Fischer, G.; Kurth, W. S.; Gurnett, D. A.

    2015-12-01

    Saturn's radio rotation rate, originally thought to be constant, was found to vary with time by comparing the Voyager and Ulysses observation of Saturn kilometric radiation (SKR). Later on, Cassini RPWS observation of SKR revealed that the two hemispheres of Saturn are rotating at two different rotational periods, and it was proposed that the two periods are subject to seasonal change. The topic we would like to focus on resolving is whether the north and south rotational periods actually crossed after equinox. The almost continuous observation of SKR, Saturn narrowband emission, and auroral hiss by RPWS provide a good method of tracking the radio rotation periods of the planet. SKR power from the northern and southern hemispheres can be separated by the polarization of the radiation. Based on the evolution of SKR phase in the northern and southern hemispheres, we show that the rotation rate of the northern SKR is slower than that of the southern SKR starting from late 2014. Auroral hiss provides another unambiguous method of isolating the rotation signals from one hemisphere because the whistler mode plasma wave cannot cross the equator. Rotational modulation rates of auroral hiss are shown to agree with those of SKR during Cassini's high inclination orbits. Hemispherical origins of the narrowband emission are not distinguishable due to its unique generation mechanism. However, Lomb-Scargle periodogram of the 5 kHz narrowband emissions indicates that the two separate radio rotation periods of Saturn's magnetosphere reappeared after a long break since equinox.

  6. Reinvestigation of the EXAFS and xanes spectra of ferrocene and nickelocene in the framework of the multiple scattering theory

    Science.gov (United States)

    Ruiz-Lopez, M. F.; Loos, M.; Goulon, J.; Benfatto, M.; Natoli, C. R.

    1988-04-01

    This paper produces direct evidences that even non-collinear scattering paths can give rise to well-detectable and interpretable signatures in EXAFS spectra. Ferrocene or nickelocene are most favourable examples to study these rather small signals because the shortest intermolecular distances are too large to interfer with them and add no significant contribution to the EXAFS spectrum. For the first time, we have been able to resolve in the R-space individual contributions of specific double and triple scattering paths and also to reproduce their relative amplitudes and phases using full ab initio simulations carried out in the general regime of spherical wave propagation of the ejected/scattered photoelectron. Due to considerable rotational disorder of the cyclopentadienyl (C p) rings, especially at room temperature, all multiple scattering paths involving carbon atoms located on different rings were found to vanish. Full multiple scattering XANES calculations have also been performed on the same systems and were shown to be identical in the staggered (D 5d) or eclipsed (D 5h) conformations of the C p rings. The experimental XANES spectra exhibit a shoulder which is better resolved in the case of ferrocene: our simulations have established the origin of this shoulder and that its resolution was sensitive to small variations of the metal…C bond lengths. The weak pre-edge structure can be explained either by a quadrupolar allowed transition to an antibonding (3d-like) excited state of symmetry 5e 1g if the rings have D 5d group symmetry, or by a disorder-allowed dipolar transition to the corresponding state if the group symmetry is reduced to D 5. In the case of ferrocene, there is also an additional "bump" at ≈ 12 eV past the main absorption peak, which is not reproduced by our single-electron calculations: a possible interpretation which, however, is not yet firmly established, is to assign this feature to a multielectron shakeup satellite.

  7. A Rotating Quantum Vacuum

    CERN Document Server

    De Lorenci, V A

    1996-01-01

    We investigate which mapping we have to use to compare measurements made in a rotating frame to those made in an inertial frame. Using a "Lorentz-like" coordinate transformation we obtain that creation-anihilation operators of a massless scalar field in the rotating frame are not the same as those of an inertial observer. This leads to a new vacuum state (a rotating vacuum) which is a superposition of positive and negative frequency Minkowski particles. After this, introducing an apparatus device coupled linearly with the field we obtain that there is a strong correlation between number of rotating particles (in a given state) obtained via canonical quantization and via response function of the rotating detector. Finally, we analyse polarization effects in circular accelerators in the proper frame of the electron making a connection with the inertial frame point of view.

  8. Uniformly rotating neutron stars

    CERN Document Server

    Boshkayev, Kuantay

    2016-01-01

    In this chapter we review the recent results on the equilibrium configurations of static and uniformly rotating neutron stars within the Hartle formalism. We start from the Einstein-Maxwell-Thomas-Fermi equations formulated and extended by Belvedere et al. (2012, 2014). We demonstrate how to conduct numerical integration of these equations for different central densities ${\\it \\rho}_c$ and angular velocities $\\Omega$ and compute the static $M^{stat}$ and rotating $M^{rot}$ masses, polar $R_p$ and equatorial $R_{\\rm eq}$ radii, eccentricity $\\epsilon$, moment of inertia $I$, angular momentum $J$, as well as the quadrupole moment $Q$ of the rotating configurations. In order to fulfill the stability criteria of rotating neutron stars we take into considerations the Keplerian mass-shedding limit and the axisymmetric secular instability. Furthermore, we construct the novel mass-radius relations, calculate the maximum mass and minimum rotation periods (maximum frequencies) of neutron stars. Eventually, we compare a...

  9. Sequencing BPS Spectra

    CERN Document Server

    Gukov, Sergei; Saberi, Ingmar; Stosic, Marko; Sulkowski, Piotr

    2015-01-01

    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 Poincar\\'e 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 identifi...

  10. Depth resolved hyperspectral imaging spectrometer based on structured light illumination and Fourier transform interferometry.

    Science.gov (United States)

    Choi, Heejin; Wadduwage, Dushan; Matsudaira, Paul T; So, Peter T C

    2014-10-01

    A depth resolved hyperspectral imaging spectrometer can provide depth resolved imaging both in the spatial and the spectral domain. Images acquired through a standard imaging Fourier transform spectrometer do not have the depth-resolution. By post processing the spectral cubes (x, y, λ) obtained through a Sagnac interferometer under uniform illumination and structured illumination, spectrally resolved images with depth resolution can be recovered using structured light illumination algorithms such as the HiLo method. The proposed scheme is validated with in vitro specimens including fluorescent solution and fluorescent beads with known spectra. The system is further demonstrated in quantifying spectra from 3D resolved features in biological specimens. The system has demonstrated depth resolution of 1.8 μm and spectral resolution of 7 nm respectively.

  11. Mode visibilities in rapidly rotating stars

    Science.gov (United States)

    Reese, D. R.; Prat, V.; Barban, C.; van 't Veer-Menneret, C.; MacGregor, K. B.

    2013-02-01

    Context. Mode identification is a crucial step to comparing observed frequencies with theoretical ones. However, it has proven to be particularly difficult in rapidly rotating stars. An important reason for this is the lack of simple frequency patterns such as those present in solar-type pulsators. This problem is further aggravated in δ Scuti stars by their particularly rich frequency spectra. Aims: As a first step to obtaining further observational constraints towards mode identification in rapid rotators, we aim to accurately calculate mode visibilities and amplitude ratios while fully taking into account the effects of rotation. Methods: We derive the relevant equations for calculating mode visibilities in different photometric bands while fully taking into account the geometric distortion from both the centrifugal deformation and the pulsation modes, the variations in effective gravity, and an approximate treatment of the temperature variations, given the adiabatic nature of the pulsation modes. These equations are then applied to 2D oscillation modes, calculated using the TOP code (Two-dimension Oscillation Program), in fully distorted 2D models based on the self-consistent field (SCF) method. The specific intensities come from a grid of Kurucz atmospheres, thereby taking into account limb and gravity darkening. Results: We obtain mode visibilities and amplitude ratios for 2 M⊙ models with rotation rates ranging from 0 to 80% of the critical rotation rate. Based on these calculations, we confirm a number of results from earlier studies, such as the increased visibility of numerous chaotic modes at sufficient rotation rates, the simpler frequency spectra with dominant island modes for pole-on configurations, or the dependence of amplitude ratios on inclination and azimuthal order in rotating stars. In addition, we explain how the geometric shape of the star leads to a smaller contrast between pole-on and equator-on visibilities of equatorially

  12. Millimeter and Submillimeter Wave Spectra of N-Methylformamide and Propionamide

    Science.gov (United States)

    Mescheryakov, A. A.; Alekseev, E. A.; Ilyushin, V.; Motiyenko, R. A.; Margulès, L.

    2014-06-01

    We present the rotational spectra studies of two acetamide conjugated molecules, namely, N-methylformamide (CH_3NHCHO) and propionamide (CH_3CH_2CONH_2). New measurements have been performed in the frequency range 50 - 150 GHz using the spectrometer in Kharkov, and in the frequency range 150 - 630 GHz using the spectrometer in Lille. The analysis of the rotational spectra of both molecules is complicated by the methyl top internal rotation and nuclear quadrupole hyperfine structure. In case of N-methylformamide the barrier to internal rotation is relatively small, V_3 = 51.7 wn, whereas for propionamide the barrier is high, V_3 = 751.9 wn. For propionamide the presence of the low-lying excited vibrational state (60 wn) makes difficult the analysis within the classical rho-axis method Hamiltonian. In this case only the rotational transitions with K_aFrench CNRS-PICS 6051 project.

  13. Scenario of temperature-related variation of phosphorescence spectra of ortho-bromobenzophenone crystal

    Science.gov (United States)

    Strzhemechny, M. A.; Stepanian, S. G.; Zloba, D. I.; Buravtseva, L. M.; Pyshkin, O. S.; Piryatinski, Yu. P.; Melnik, V. I.; Klishevich, G. V.; Adamowicz, L.

    2015-12-01

    Luminescence and other properties of solid 2-bromobenzophenone demonstrate features, which require special attention. We present results, which include DFT calculations, integrated and time-resolved phosphorescence spectra, and excitation spectra. The energies of the title molecule were calculated for the S0 , S1 , and T1 states. Nanosecond time-resolved phosphorescence spectra were measured at three temperature points at which the spectra undergo substantial changes. Joint analysis of energy surfaces and experimental evidence allowed reconstruction of the emission scenario that determines temperature-related variations of spectra. Upon excitation to state S1 the molecule converges very fast to T1 , emission from which can occur from the minima at 60° or at 180°. At low temperatures the molecule emits from the former, whereas at higher temperatures the molecule can overcome the barrier to emit from the lower minimum. The probability of excimer formation increases with increasing temperature.

  14. Novel Term in Fermion-Boson Mapping for Nuclear Rotation

    CERN Document Server

    Nomura, Kosuke; Shimizu, Noritaka; Guo, Lu

    2010-01-01

    We introduce a novel term in fermion-boson mapping method for the Interacting Boson Model (IBM) for rotational nuclei. The rotation of a given deformed nucleon system is similar to the corresponding one of the boson system, but there is a certain difference in quantitative details. This requires the additional rotational correction to the boson system. We implement the rotational $L\\cdot L$ term into the IBM Hamiltonian, and determine its coupling constant based on the mean-field calculation with Skyrme Energy Density Functional. The validity of the method is examined for rare-earth (Sm) and actinoid (U) nuclei. Experimental rotational spectra for these nuclei are shown to be reproduced remarkably well without any phenomenological correction.

  15. On the rotational dynamics of Prometheus and Pandora

    CERN Document Server

    Melnikov, A V; 10.1007/s10569-008-9131-z

    2013-01-01

    Possible rotation states of two satellites of Saturn, Prometheus (S16) and Pandora (S17), are studied by means of numerical experiments. The attitude stability of all possible modes of synchronous rotation and the motion close to these modes is analyzed by means of computation of the Lyapunov spectra of the motion. The stability analysis confirms that the rotation of Prometheus and Pandora might be chaotic, though the possibility of regular behaviour is not excluded. For the both satellites, the attitude instability zones form series of concentric belts enclosing the main synchronous resonance center in the phase space sections. A hypothesis is put forward that these belts might form "barriers" for capturing the satellites in synchronous rotation. The satellites in chaotic rotation can mimic ordinary regular synchronous behaviour: they preserve preferred orientation for long periods of time, the largest axis of satellite's figure being directed approximately towards Saturn.

  16. Resolving boosted jets with XCone

    Energy Technology Data Exchange (ETDEWEB)

    Thaler, Jesse; Wilkason, Thomas F. [Center for Theoretical Physics, Massachusetts Institute of Technology,Cambridge, MA, 02139 (United States)

    2015-12-09

    We show how the recently proposed XCone jet algorithm http://dx.doi.org/10.1007/JHEP11(2015)072 smoothly interpolates between resolved and boosted kinematics. When using standard jet algorithms to reconstruct the decays of hadronic resonances like top quarks and Higgs bosons, one typically needs separate analysis strategies to handle the resolved regime of well-separated jets and the boosted regime of fat jets with substructure. XCone, by contrast, is an exclusive cone jet algorithm that always returns a fixed number of jets, so jet regions remain resolved even when (sub)jets are overlapping in the boosted regime. In this paper, we perform three LHC case studies — dijet resonances, Higgs decays to bottom quarks, and all-hadronic top pairs — that demonstrate the physics applications of XCone over a wide kinematic range.

  17. Resolving boosted jets with XCone

    Science.gov (United States)

    Thaler, Jesse; Wilkason, Thomas F.

    2015-12-01

    We show how the recently proposed XCone jet algorithm [1] smoothly interpolates between resolved and boosted kinematics. When using standard jet algorithms to reconstruct the decays of hadronic resonances like top quarks and Higgs bosons, one typically needs separate analysis strategies to handle the resolved regime of well-separated jets and the boosted regime of fat jets with substructure. XCone, by contrast, is an exclusive cone jet algorithm that always returns a fixed number of jets, so jet regions remain resolved even when (sub)jets are overlapping in the boosted regime. In this paper, we perform three LHC case studies — dijet resonances, Higgs decays to bottom quarks, and all-hadronic top pairs — that demonstrate the physics applications of XCone over a wide kinematic range.

  18. Resolving Boosted Jets with XCone

    CERN Document Server

    Thaler, Jesse

    2015-01-01

    We show how the recently proposed XCone jet algorithm smoothly interpolates between resolved and boosted kinematics. When using standard jet algorithms to reconstruct the decays of hadronic resonances like top quarks and Higgs bosons, one typically needs separate analysis strategies to handle the resolved regime of well-separated jets and the boosted regime of fat jets with substructure. XCone, by contrast, is an exclusive cone jet algorithm that always returns a fixed number of jets, so jet regions remain resolved even when (sub)jets are overlapping in the boosted regime. In this paper, we perform three LHC case studies---dijet resonances, Higgs decays to bottom quarks, and all-hadronic top pairs---that demonstrate the physics applications of XCone over a wide kinematic range.

  19. Angle-Resolved Auger Spectroscopy as a Sensitive Access to Vibronic Coupling

    Science.gov (United States)

    Knie, A.; Patanen, M.; Hans, A.; Petrov, I. D.; Bozek, J. D.; Ehresmann, A.; Demekhin, Ph. V.

    2016-05-01

    In the angle-averaged excitation and decay spectra of molecules, vibronic coupling may induce the usually weak dipole-forbidden transitions by the excitation intensity borrowing mechanism. The present complementary theoretical and experimental study of the resonant Auger decay of core-to-Rydberg excited CH4 and Ne demonstrates that vibronic coupling plays a decisive role in the formation of the angle-resolved spectra by additionally involving the decay rate borrowing mechanism. Thereby, we propose that the angle-resolved Auger spectroscopy can in general provide very insightful information on the strength of the vibronic coupling.

  20. Global empirical potentials from purely rotational measurements

    CERN Document Server

    Dattani, Nikesh S; Sun, Ming; Johnson, Erin R; Roy, Robert J Le; Ziurys, Lucy M

    2014-01-01

    The recent advent of chirped-pulse FTMW technology has created a plethora of pure rotational spectra for molecules for which no vibrational information is known. The growing number of such spectra demands a way to build empirical potential energy surfaces for molecules, without relying on any vibrational measurements. Using ZnO as an example, we demonstrate a powerful technique for efficiently accomplishing this. We first measure eight new ultra-high precision ($\\pm2$ kHz) pure rotational transitions in the $X$-state of ZnO. Combining them with previous high-precision ($\\pm50$ kHz) pure rotational measurements of different transitions in the same system, we have data that spans the bottom 10\\% of the well. Despite not using any vibrational information, our empirical potentials are able to determine the size of the vibrational spacings and bond lengths, with precisions that are more than three and two orders of magnitude greater, respectively, than the most precise empirical values previously known, and the mo...

  1. A surprise at the bottom of the main sequence: Rapid rotation and NO H-alpha emission

    Science.gov (United States)

    Basri, Gibor; Marcy, Geoffrey W.

    1995-01-01

    We report Kech Observatory high-resolution echelle spectra from 640-850 nm for eight stars near the faint end of the main sequence. These spectra are the highest resolution spectra of such late-type stars, and clearly resolve the TiO, VO, and atomic lines. The sample includes the field brown-dwarf candidate, BRI 0021-0214 (M9.5+). Very unexpectedly, it shows the most rapid rotation in the entire samples, v sin i approximately 40 km/s, which is 20x faster than typical field nonemission M stars. Equally surprising is that BRI 0021 exhibits no emission or absorptionat H-alpha. We argue that this absence is not simply due to its cool photosphere, but that stellar activity declines in a fundamental way at the end of the main sequence. As it is the first very late M dwarf observed at high spectral resolution, BRI 0021 may be signaling a qualitative change in the angular momentum loss rate among the lowest mass stars. Conventionally, its rapid rotation would have marked BRI 0021 as very young, consistent with the selection effect which arises if the latest-type dwarfs are really brown dwarfs on cooling curves. In any case, it is unprecedented to find no sign of stellar activity in such a rapidly rotating convective star. We also discuss the possible conflict between this observation and the extremely strong H-alpha seen in another very cool star, PC 0025+0447. Extrapolation of M-L relations for BRI 0021 yields M approximately 0.065 solar mass, and the other sample objects have expected masses near the H-burning limit. These include two Pleiades brown-dwarf candidates, four field M6 dwarfs and one late-type T Tauri star. The two Pleiades M6 dwarfs have v sin i of 26 and 37 km/s, H-alpha in emission, and radial velocities consistent with Pleiades M6 dwarfs have v sin i of 26 and 37 km/s, H-alpha in emission, and radial velocities consistent with Pleiades membership. Similarly, the late-type T Tauri star has v sin i approximately 30 km/s and H alpha emission indicate of its

  2. A simultaneous multi-slice selective J-resolved experiment for fully resolved scalar coupling information

    Science.gov (United States)

    Zeng, Qing; Lin, Liangjie; Chen, Jinyong; Lin, Yanqin; Barker, Peter B.; Chen, Zhong

    2017-09-01

    Proton-proton scalar coupling plays an important role in molecular structure elucidation. Many methods have been proposed for revealing scalar coupling networks involving chosen protons. However, determining all JHH values within a fully coupled network remains as a tedious process. Here, we propose a method termed as simultaneous multi-slice selective J-resolved spectroscopy (SMS-SEJRES) for simultaneously measuring JHH values out of all coupling networks in a sample within one experiment. In this work, gradient-encoded selective refocusing, PSYCHE decoupling and echo planar spectroscopic imaging (EPSI) detection module are adopted, resulting in different selective J-edited spectra extracted from different spatial positions. The proposed pulse sequence can facilitate the analysis of molecular structures. Therefore, it will interest scientists who would like to efficiently address the structural analysis of molecules.

  3. State reconstruction of molecular spatial rotation

    Institute of Scientific and Technical Information of China (English)

    Qin Xiao; Gao Jun-Yi

    2012-01-01

    We establish a reconstruction approach for the rotational quantum state of linear molecules possessing a magnetic manifold.Our approximate method contains an iteration with generalized matrix inverses,processing the tomographic integral of the time-dependent molecular-axis distribution in a polar angle.As shown in a simulated example for an alignment state,the density matrix is determined in a high fidelity.An analytic tomographic formula is also derived for the symmetric top rotation.The state coherent in the quantun space of both the angular momentum and its magnetic projection can be approximately retrieved from the observable time-resolved solid-angle distribution of the molecular.

  4. Chaotic rotation of Hyperion?

    Science.gov (United States)

    Binzel, R. P.; Green, J. R.; Opal, C. B.

    1986-01-01

    Thomas et al. (1984) analyzed 14 Voyager 2 images of Saturn's satellite Hyperion and interpreted them to be consistent with a coherent (nonchaotic) rotation period of 13.1 days. This interpretation was criticized by Peale and Wisdom (1984), who argued that the low sampling frequency of Voyager data does not allow chaotic or nonchaotic rotation to be distinguished. New observations obtained with a higher sampling frequency are reported here which conclusively show that the 13.1 day period found by Thomas et al. was not due to coherent rotation.

  5. A rotating quantum vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Lorenci, V.A. de; Svaiter, N.F. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)

    1996-11-01

    It was investigated which mapping has to be used to compare measurements made in a rotating frame to those made in an inertial frame. Using a non-Galilean coordinate transformation, the creation-annihilation operators of a massive scalar field in the rotating frame are not the same as those of an inertial observer. This leads to a new vacuum state(a rotating vacuum) which is a superposition of positive and negative frequency Minkowski particles. Polarization effects in circular accelerators in the proper frame of the electron making a connection with the inertial frame point of view were analysed. 65 refs.

  6. Orientation Resolution through Rotational Coherence Spectroscopy

    CERN Document Server

    Makhija, Varun; Gockel, Drue; Le, Ahn-Thu; Kumarappan, Vinod

    2016-01-01

    The rich information content of measurements in the molecular frame rather than the laboratory frame has motivated the development of several methods for aligning gas phase molecules in space. Even so, for asymmetric tops the problem of making molecular frame measurements remains challenging due to its inherently multi-dimensional nature. In this Letter we present a method, based on the analysis of observables measured from rotational wavepackets, that does not require either 3D alignment or coincident momentum measurements to access the molecular frame. As an application we describe the first fully-orientation-resolved measurements of strong-field ionization and dissociation of an asymmetric top (ethylene).

  7. THE CLOSE T TAURI BINARY SYSTEM V4046 Sgr: ROTATIONALLY MODULATED X-RAY EMISSION FROM ACCRETION SHOCKS

    Energy Technology Data Exchange (ETDEWEB)

    Argiroffi, C. [Dipartimento di Fisica, Universita di Palermo, Piazza del Parlamento 1, I-90134 Palermo (Italy); Maggio, A.; Damiani, F. [INAF-Osservatorio Astronomico di Palermo, Piazza del Parlamento 1, I-90134 Palermo (Italy); Montmerle, T. [Institut d' Astrophysique de Paris, 98bis bd Arago, FR-75014 Paris (France); Huenemoerder, D. P. [MIT, Kavli Institute for Astrophysics and Space Research, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Alecian, E. [Observatoire de Paris, LESIA, 5, place Jules Janssen, F-92195 Meudon Principal Cedex (France); Audard, M. [ISDC Data Center for Astrophysics, University of Geneva, Ch. d' Ecogia 16, CH-1290 Versoix (Switzerland); Bouvier, J. [UJF-Grenoble 1/CNRS-INSU, Institut de Planetologie et d' Astrophysique de Grenoble (IPAG) UMR 5274, F-38041, Grenoble (France); Donati, J.-F. [IRAP-UMR 5277, CNRS and Universite de Toulouse, 14 Av. E. Belin, F-31400 Toulouse (France); Gregory, S. G. [Astronomy Department, California Institute of Technology, MC 249-17, Pasadena, CA 91125 (United States); Guedel, M. [Department of Astronomy, University of Vienna, Trkenschanzstrasse 17, A-1180 Vienna (Austria); Hussain, G. A. J. [ESO, Karl-Schwarzschild-Strasse 2, D-85748 Garching bei Muenchen (Germany); Kastner, J. H.; Sacco, G. G., E-mail: argi@astropa.unipa.it [Center for Imaging Science, Rochester Institute of Technology, 54 Lomb Memorial Drive, Rochester, NY 14623 (United States)

    2012-06-20

    We report initial results from a quasi-simultaneous X-ray/optical observing campaign targeting V4046 Sgr, a close, synchronous-rotating classical T Tauri star (CTTS) binary in which both components are actively accreting. V4046 Sgr is a strong X-ray source, with the X-rays mainly arising from high-density (n{sub e}{approx} 10{sup 11}-10{sup 12} cm{sup -3}) plasma at temperatures of 3-4 MK. Our multi-wavelength campaign aims to simultaneously constrain the properties of this X-ray-emitting plasma, the large-scale magnetic field, and the accretion geometry. In this paper, we present key results obtained via time-resolved X-ray-grating spectra, gathered in a 360 ks XMM-Newton observation that covered 2.2 system rotations. We find that the emission lines produced by this high-density plasma display periodic flux variations with a measured period, 1.22 {+-} 0.01 d, that is precisely half that of the binary star system (2.42 d). The observed rotational modulation can be explained assuming that the high-density plasma occupies small portions of the stellar surfaces, corotating with the stars, and that the high-density plasma is not azimuthally symmetrically distributed with respect to the rotational axis of each star. These results strongly support models in which high-density, X-ray-emitting CTTS plasma is material heated in accretion shocks, located at the base of accretion flows tied to the system by magnetic field lines.

  8. Neutrons and numerical methods. A new look at rotational tunneling

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, M.R.; Kearley, G.J. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Molecular modelling techniques are easily adapted to calculate rotational potentials in crystals of simple molecular compounds. A comparison with the potentials obtained from the tunnelling spectra provides a stringent means for validating current methods of calculating Van der Waals, Coulomb and covalent terms. (author). 5 refs.

  9. THE ROTATIONAL SPECTRUM OF HCl{sup +}

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, H.; Drouin, B. J.; Pearson, J. C., E-mail: Harshal.Gupta@jpl.nasa.gov [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States)

    2012-06-01

    The rotational spectrum of the radical ion HCl{sup +} has been detected at high resolution in the laboratory, confirming the identification reported in the accompanying Letter by De Luca et al., in diffuse clouds toward W31C and W49N. Three rotational transitions, one in the ground-state {sup 2}{Pi}{sub 3/2} ladder and two in the {sup 2}{Pi}{sub 1/2} ladder (643 cm{sup -1} above ground), were observed in a microwave discharge of He and HCl. Well-resolved chlorine hyperfine structure and {Lambda}-doubling, and the detection of lines of H{sup 37}Cl{sup +} at precisely the expected isotopic shift, provide conclusive evidence for the laboratory identification. Detection of rotational transitions in the {sup 2}{Pi}{sub 1/2} ladder of HCl{sup +} for the first time allows an experimental determination of the individual hyperfine coupling constants of chlorine and yields a precise value of eQq{sub 2}. The spectroscopic constants obtained by fitting a Hamiltonian simultaneously to our data and more than 8000 optical transitions are so precise that they allow us to calculate the frequencies of the {sup 2}{Pi}{sub 3/2} J = 5/2 - 3/2 transition observed in space to within 0.2 km s{sup -1}, and indeed, those of the strongest rotational transitions below 7.5 THz, to better than 1 km s{sup -1}.

  10. Sequencing BPS spectra

    Science.gov (United States)

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

    2016-03-01

    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.

  11. Non-Gaussian Spectra

    CERN Document Server

    Ferreira, P G; Ferreira, Pedro G.; Magueijo, Joao

    1997-01-01

    Gaussian cosmic microwave background skies are fully specified by the power spectrum. The conventional method of characterizing non-Gaussian skies is to evaluate higher order moments, the n-point functions and their Fourier transforms. We argue that this method is inefficient, due to the redundancy of information existing in the complete set of moments. In this paper we propose a set of new statistics or non-Gaussian spectra to be extracted out of the angular distribution of the Fourier transform of the temperature anisotropies in the small field limit. These statistics complement the power spectrum and act as localization, shape, and connectedness statistics. They quantify generic non-Gaussian structure, and may be used in more general image processing tasks. We concentrate on a subset of these statistics and argue that while they carry no information in Gaussian theories they may be the best arena for making predictions in some non-Gaussian theories. As examples of applications we consider superposed Gaussi...

  12. 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.

  13. Time-resolved quantitative phosphoproteomics

    DEFF Research Database (Denmark)

    Verano-Braga, Thiago; Schwämmle, Veit; Sylvester, Marc

    2012-01-01

    proteins involved in the Ang-(1-7) signaling, we performed a mass spectrometry-based time-resolved quantitative phosphoproteome study of human aortic endothelial cells (HAEC) treated with Ang-(1-7). We identified 1288 unique phosphosites on 699 different proteins with 99% certainty of correct peptide...

  14. Time-resolved vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tokmakoff, Andrei [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Champion, Paul [Northeastern Univ., Boston, MA (United States); Heilweil, Edwin J. [National Inst. of Standards and Technology (NIST), Boulder, CO (United States); Nelson, Keith A. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Ziegler, Larry [Boston Univ., MA (United States)

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE's Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all fiveof DOE's grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

  15. Resolving Ethical Issues at School

    Science.gov (United States)

    Benninga, Jacques S.

    2013-01-01

    Although ethical dilemmas are a constant in teachers' lives, the profession has offered little in the way of training to help teachers address such issues. This paper presents a framework, based on developmental theory, for resolving professional ethical dilemmas. The Four-Component Model of Moral Maturity, when used in conjunction with a…

  16. TIME-RESOLVED VIBRATIONAL SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Andrei Tokmakoff, MIT (Conference Chair); Paul Champion, Northeastern University; Edwin J. Heilweil, NIST; Keith A. Nelson, MIT; Larry Ziegler, Boston University

    2009-05-14

    This document contains the Proceedings from the 14th International Conference on Time-Resolved Vibrational Spectroscopy, which was held in Meredith, NH from May 9-14, 2009. The study of molecular dynamics in chemical reaction and biological processes using time-resolved spectroscopy plays an important role in our understanding of energy conversion, storage, and utilization problems. Fundamental studies of chemical reactivity, molecular rearrangements, and charge transport are broadly supported by the DOE’s Office of Science because of their role in the development of alternative energy sources, the understanding of biological energy conversion processes, the efficient utilization of existing energy resources, and the mitigation of reactive intermediates in radiation chemistry. In addition, time-resolved spectroscopy is central to all five of DOE’s grand challenges for fundamental energy science. The Time-Resolved Vibrational Spectroscopy conference is organized biennially to bring the leaders in this field from around the globe together with young scientists to discuss the most recent scientific and technological advances. The latest technology in ultrafast infrared, Raman, and terahertz spectroscopy and the scientific advances that these methods enable were covered. Particular emphasis was placed on new experimental methods used to probe molecular dynamics in liquids, solids, interfaces, nanostructured materials, and biomolecules.

  17. Rotator Cuff Injuries

    Science.gov (United States)

    ... cuff are common. They include tendinitis, bursitis, and injuries such as tears. Rotator cuff tendons can become ... cuff depends on age, health, how severe the injury is, and how long you've had the ...

  18. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WU Feng-Min; WU Li-Li; LU Hang-Jun; LI Qiao-Wen; YE Gao-Xiang

    2004-01-01

    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω the fractal dimension decreases with increasing ω, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  19. Fractal Aggregation Under Rotation

    Institute of Scientific and Technical Information of China (English)

    WUFeng-Min; WULi-Li; LUHang-Jun; LIQiao-Wen; YEGao-Xiang

    2004-01-01

    By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω; thefractal dimension decreases with increasing ω;, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.

  20. Solar rotation gravitational moments

    Directory of Open Access Journals (Sweden)

    A. Ajabshirizadeh

    2005-09-01

    Full Text Available   Gravitational multipole moments of the Sun are still poorly known. Theoretically, the difficulty is mainly due to the differential rotation for which the velocity rate varies both on the surface and with the depth. From an observational point of view, the multipole moments cannot be directly measured. However, recent progresses have been made proving the existence of a strong radial differential rotation in a thin layer near the solar surface (the leptocline. Applying the theory of rotating stars, we will first compute values of J2 and J4 taking into account the radial gradient of rotation, then we will compare these values with the existing ones, giving a more complete review. We will explain some astrophysical outcomes, mainly on the relativistic Post Newtonian parameters. Finally we will conclude by indicating how space experiments (balloon SDS flights, Golf NG, Beppi-Colombo, Gaia... will be essential to unambiguously determine these parameters.

  1. Theory of inertial waves in rotating fluids

    Science.gov (United States)

    Gelash, Andrey; L'vov, Victor; Zakharov, Vladimir

    2017-04-01

    The inertial waves emerge in the geophysical and astrophysical flows as a result of Earth rotation [1]. The linear theory of inertial waves is known well [2] while the influence of nonlinear effects of wave interactions are subject of many recent theoretical and experimental studies. The three-wave interactions which are allowed by inertial waves dispersion law (frequency is proportional to cosine of the angle between wave direction and axes of rotation) play an exceptional role. The recent studies on similar type of waves - internal waves, have demonstrated the possibility of formation of natural wave attractors in the ocean (see [3] and references herein). This wave focusing leads to the emergence of strong three-wave interactions and subsequent flows mixing. We believe that similar phenomena can take place for inertial waves in rotating flows. In this work we present theoretical study of three-wave and four-wave interactions for inertial waves. As the main theoretical tool we suggest the complete Hamiltonian formalism for inertial waves in rotating incompressible fluids [4]. We study three-wave decay instability and then present statistical description of inertial waves in the frame of Hamiltonian formalism. We obtain kinetic equation, anisotropic wave turbulence spectra and study the problem of parametric wave turbulence. These spectra were previously found in [5] by helicity decomposition method. Taking this into account we discuss the advantages of suggested Hamiltonian formalism and its future applications. Andrey Gelash thanks support of the RFBR (Grant No.16-31-60086 mol_a_dk) and Dr. E. Ermanyuk, Dr. I. Sibgatullin for the fruitful discussions. [1] Le Gal, P. Waves and instabilities in rotating and stratified flows, Fluid Dynamics in Physics, Engineering and Environmental Applications. Springer Berlin Heidelberg, 25-40, 2013. [2] Greenspan, H. P. The theory of rotating fluids. CUP Archive, 1968. [3] Brouzet, C., Sibgatullin, I. N., Scolan, H., Ermanyuk, E

  2. Electromagnetic rotational actuation.

    Energy Technology Data Exchange (ETDEWEB)

    Hogan, Alexander Lee

    2010-08-01

    There are many applications that need a meso-scale rotational actuator. These applications have been left by the wayside because of the lack of actuation at this scale. Sandia National Laboratories has many unique fabrication technologies that could be used to create an electromagnetic actuator at this scale. There are also many designs to be explored. In this internship exploration of the designs and fabrications technologies to find an inexpensive design that can be used for prototyping the electromagnetic rotational actuator.

  3. Rotational spectrum of phenylglycinol

    Science.gov (United States)

    Simão, Alcides; Peña, Isabel; Cabezas, Carlos; Alonso, José L.

    2014-11-01

    Solid samples of phenylglycinol were vaporized by laser ablation and investigated through rotational spectroscopy in a supersonic expansion using two different techniques: chirped pulse Fourier transform microwave spectroscopy and narrow band molecular beam Fourier transform microwave spectroscopy. One conformer, bearing an O-H···N and an N-H···π intramolecular hydrogen bonds, could be successfully identified by comparison of the experimental rotational and 14N nuclear quadruple coupling constants with those predicted theoretically.

  4. Earth rotation and geodynamics

    OpenAIRE

    Bogusz Janusz; Brzezinski Aleksander; Kosek Wieslaw; Nastula Jolanta

    2015-01-01

    This paper presents the summary of research activities carried out in Poland in 2011-2014 in the field of Earth rotation and geodynamics by several Polish research institutions. It contains a summary of works on Earth rotation, including evaluation and prediction of its parameters and analysis of the related excitation data as well as research on associated geodynamic phenomena such as geocentre motion, global sea level change and hydrological processes. The second part of the paper deals wit...

  5. Calculating pure rotational transitions of water molecule with a simple Lanczos method

    Indian Academy of Sciences (India)

    Pranab Sarkar

    2001-04-01

    We have calculated pure rotational transitions of water molecule from a kinetic energy operator (KEO) with the -axis perpendicular to the molecular plane. We have used rotational basis functions which are linear combinations of symmetric top functions so that all matrix elements are real. The calculated spectra agree well with the observed values.

  6. Polarization-resolved microscopy through scattering media via wavefront shaping

    CERN Document Server

    de Aguiar, Hilton B; Brasselet, Sophie

    2015-01-01

    Wavefront shaping has revolutionized imaging deep in scattering media, being able to spatially and temporally refocus light through or inside the medium. However, wavefront shaping is not compatible yet with polarization-resolved microscopy given the need of polarizing optics to refocus light with a controlled polarization state. Here, we show that wavefront shaping is not only able to restore a focus, but it can also recover the injected polarization state without using any polarizing optics at the detection. This counter-intuitive effect occurs up to several transport mean free path thick samples, which exhibit a speckle with a completely scrambled state. Remarkably, an arbitrary rotation of the input polarization does not degrade the quality of the focus. This unsupervised re-polarization - out of the originally scrambled polarization state - paves the way for polarization-resolved structural microscopy at unprecedented depths. We exploit this phenomenon and demonstrate second harmonic generation (SHG) str...

  7. Period spacing of gravity modes strongly affected by rotation. Going beyond the traditional approximation

    CERN Document Server

    Prat, Vincent; Lignières, François; Ballot, Jérôme; Culpin, Pierre-Marie

    2016-01-01

    Context. As of today, asteroseismology mainly allows us to probe internal rotation of stars when modes are only weakly affected by rotation using perturbative methods. Such methods cannot be applied to rapidly rotating stars, which exhibit complex oscillation spectra. In this context, the so-called traditional approximation, which neglects the terms associated with the latitudinal component of the rotation vector, describes modes that are strongly affected by rotation and is sometimes used for interpreting asteroseismic data. However, its domain of validity is not established yet. Aims. We aim at deriving analytical prescriptions for period spacings of low-frequency gravity modes strongly affected by rotation through the full Coriolis acceleration that can be used to probe stellar internal structure and rotation. Methods. The asymptotic theory of gravito-inertial waves in uniformly rotating stars using ray theory described by Prat et al. (2016, A&A, 587, A110) is approximated in the low-frequency regime, ...

  8. Possible explanation of the atmospheric kinetic and potential energy spectra.

    Science.gov (United States)

    Vallgren, Andreas; Deusebio, Enrico; Lindborg, Erik

    2011-12-23

    We hypothesize that the observed wave number spectra of kinetic and potential energy in the atmosphere can be explained by assuming that there are two related cascade processes emanating from the same large-scale energy source, a downscale cascade of potential enstrophy, giving rise to the k(-3) spectrum at synoptic scales and a downscale energy cascade giving rise to the k(-5/3) spectrum at mesoscales. The amount of energy which is going into the downscale energy cascade is determined by the rate of system rotation, with negligible energy going downscale in the limit of very fast rotation. We present a set of simulations of a system with strong rotation and stratification, supporting these hypotheses and showing good agreement with observations.

  9. The Resolved Stellar Population of Leo A

    Science.gov (United States)

    Tolstoy, Eline

    1996-05-01

    New observations of the resolved stellar population of the extremely metal-poor Magellanic dwarf irregular galaxy Leo A in Thuan-Gunn r, g, i, and narrowband Hα filters are presented. Using the recent Cepheid variable star distance determination to Leo A by Hoessel et al., we are able to create an accurate color-magnitude diagram (CMD). We have used the Bavesian inference method described by Tolstoy & Saha to calculate the likelihood of a Monte Carlo simulation of the stellar population of Leo A being a good match to the data within the well understood errors in the data. The magnitude limits on our data are sensitive enough to look back at ~1 Gyr of star formation history at the distance of Leo A. To explain the observed ratio of red to blue stars in the observed CMD, it is necessary to invoke either a steadily decreasing star formation rate toward the present time or gaps in the star formation history. We also compare the properties of the observed stellar population with the known spatial distribution of the H I gas and H II regions to support the conclusions from CMD modeling. We consider the possibility that currently there is a period of diminished star formation in Leo A, as evidenced by the lack of very young stars in the CMD and the faint H II regions. How the chaotic H I distribution, with no observable rotation, fits into our picture of the evolution of Leo A is as yet unclear.

  10. Electronic Spectra from TDDFT and Machine Learning in Chemical Space

    CERN Document Server

    Ramakrishnan, Raghunathan; Tapavicza, Enrico; von Lilienfeld, O Anatole

    2015-01-01

    Due to its favorable computational efficiency time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in high-throughput fashion across chemical space. Unfortunately, its predictions can be inaccurate. Machine learning models can resolve this issue when trained on deviations of reference coupled-cluster singles and doubles (CC2) spectra from TDDFT excitation energies, or even from DFT gap. Numerical evidence is produced for the low-lying singlet-singlet vertical electronic spectra of over 20 thousand diverse and synthetically feasible organic molecules with up to eight CONF atoms. Out-of-sample prediction errors decay monotonously as a function of training set size. For a training set of 10 thousand molecules, CC2 excitation energies can be reproduced within $\\pm$0.1 eV. Analysis of our spectral database with chromophore counting suggests that even higher accuracies can be achieved. We discuss open challenges associated with data-driven modeling of transition intensiti...

  11. Spectral Modulation by Rotational Wave Packets

    Science.gov (United States)

    Baertschy, Mark; Hartinger, Klaus

    2005-05-01

    Periodic rephasing of molecular rotational wave packets can create rapid fluctuations in the optical properties of a molecular gas which can be used to manipulate the temporal phase and spectral content of ultrashort light pulses. We have demonstrated spectral control of a time-delayed ultrafast probe pulse propagating through the rotational wave packet prepared by a pump laser pulse. The spectrum of the probe pulse can be either broadened or compressed, depending on the relative sign of the temporal phase modulation and the initial chirp of the probe pulse. Adjustment of the spectral phase at the output of the interaction region allows controlled temporal pulse streching^1 and compression^2. The degree to which the spectrum of an ultrafast pulse can be modified depends on the strength and shape of the rotational wavepacket. We are studying the optimization of the rotational wave packet excitation with complex, shaped pump laser pulses for the purpose of optimizing probe pulse spectra modulation. ^1 Klaus Hartinger and Randy A. Bartels, Opt. Lett., submitted (2005). ^2 R.A. Bartels, T.C. Weinacht, N. Wagner, M. Baertschy, Chris H. Greene, M.M. Murnane, and H.C. Kapteyn , Phys. Rev. Lett., 88, 013903 (2002). This work was supported by the NSF.

  12. Cloud Atlas: Discovery of Patchy Clouds and High-amplitude Rotational Modulations In a Young, Extremely Red L-type Brown Dwarf

    CERN Document Server

    Lew, Ben W P; Zhou, Yifan; Schneider, Glenn; Burgasser, Adam J; Karalidi, Theodora; Yang, Hao; Marley, Mark S; Cowan, N B; Bedin,; R., L; Metchev, Stanimir A; Radigan, Jacqueline; Lowrance, Patrick J

    2016-01-01

    Condensate clouds fundamentally impact the atmospheric structure and spectra of exoplanets and brown dwarfs but the connections between surface gravity, cloud structure, dust in the upper atmosphere, and the red colors of some brown dwarfs remain poorly understood. Rotational modulations enable the study of different clouds in the same atmosphere, thereby providing a method to isolate the effects of clouds. Here we present the discovery of high peak-to-peak amplitude (8%) rotational modulations in a low-gravity, extremely red (J-Ks=2.55) L6 dwarf WISEP J004701.06+680352.1 (W0047). Using the Hubble Space Telescope (HST) time-resolved grism spectroscopy we find a best-fit rotational period (13.20$\\pm$0.14 hours) with a larger amplitude at 1.1 micron than at 1.7 micron. This is the third largest near-infrared variability amplitude measured in a brown dwarf, demonstrating that large-amplitude variations are not limited to the L/T transition but are present in some extremely red L-type dwarfs. We report a tentativ...

  13. Rotating superconductor magnet for producing rotating lobed magnetic field lines

    Science.gov (United States)

    Hilal, Sadek K.; Sampson, William B.; Leonard, Edward F.

    1978-01-01

    This invention provides a rotating superconductor magnet for producing a rotating lobed magnetic field, comprising a cryostat; a superconducting magnet in the cryostat having a collar for producing a lobed magnetic field having oppositely directed adjacent field lines; rotatable support means for selectively rotating the superconductor magnet; and means for energizing the superconductor magnet.

  14. Compact cryogenic Kerr microscope for time-resolved studies of electron spin transport in microstructures

    NARCIS (Netherlands)

    Rizo, P. J.; Pugzlys, A.; Liu, J.; Reuter, D.; Wieck, A. D.; van der Wal, C. H.; van Loosdrecht, P. H. M.; Pugžlys, A.

    2008-01-01

    A compact cryogenic Kerr microscope for operation in the small volume of high-field magnets is described. It is suited for measurements both in Voigt and Faraday configurations. Coupled with a pulsed laser source, the microscope is used to measure the time-resolved Kerr rotation response of

  15. EMISSION FROM PAIR-INSTABILITY SUPERNOVAE WITH ROTATION

    Energy Technology Data Exchange (ETDEWEB)

    Chatzopoulos, E.; Van Rossum, Daniel R. [Department of Astronomy and Astrophysics, Flash Center for Computational Science, University of Chicago, Chicago, IL 60637 (United States); Craig, Wheeler J. [Department of Astronomy, University of Texas at Austin, Austin, TX 78712 (United States); Whalen, Daniel J. [Universität Heidelberg, Zentrum für Astronomie, Institut für Theoretische Astrophysik, Albert-Ueberle-Strasse. 2, D-69120 Heidelberg (Germany); Smidt, Joseph [T-2, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wiggins, Brandon, E-mail: manolis@flash.uchicago.edu [CCS-2, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2015-01-20

    Pair-instability supernovae (PISNe) have been suggested as candidates for some superluminous supernovae, such as SN 2007bi, and as one of the dominant types of explosion occurring in the early universe from massive, zero-metallicity Population III stars. The progenitors of such events can be rapidly rotating, therefore exhibiting different evolutionary properties due to the effects of rotationally induced mixing and mass-loss. Proper identification of such events requires rigorous radiation hydrodynamics and radiative transfer calculations that capture not only the behavior of the light curve but also the spectral evolution of these events. We present radiation hydrodynamics and radiation transport calculations for 90-300 M {sub ☉} rotating PISNe covering both the shock breakout and late light curve phases. We also investigate cases of different initial metallicity and rotation rate to determine the impact of these parameters on the detailed spectral characteristics of these events. In agreement with recent results on non-rotating PISNe, we find that for a range of progenitor masses and rotation rates these events have intrinsically red colors in contradiction with observations of superluminous supernovae. The spectroscopic properties of rotating PISNe are similar to those of non-rotating events with stripped hydrogen and helium envelopes. We find that the progenitor metallicity and rotation rate properties are erased after the explosion and cannot be identified in the resulting model spectra. It is the combined effects of pre-supernova mass-loss and the basic properties of the supernova ejecta such as mass, temperature, and velocity that have the most direct impact in the model spectra of PISNe.

  16. Spatially resolved remote measurement of temperature by neutron resonance absorption

    Energy Technology Data Exchange (ETDEWEB)

    Tremsin, A.S., E-mail: ast@ssl.berkeley.edu [Space Sciences Laboratory, University of California at Berkeley, 7 Gauss Way, Berkeley, CA 94720 (United States); Kockelmann, W.; Pooley, D.E. [STFC, Rutherford Appleton Laboratory, ISIS Facility, Didcot OX11 0QX (United Kingdom); Feller, W.B. [NOVA Scientific, Inc., 10 Picker Road, Sturbridge, MA 01566 (United States)

    2015-12-11

    Deep penetration of neutrons into most engineering materials enables non-destructive studies of their bulk properties. The existence of sharp resonances in neutron absorption spectra enables isotopically-resolved imaging of elements present in a sample, as demonstrated by previous studies. At the same time the Doppler broadening of resonance peaks provides a method of remote measurement of temperature distributions within the same sample. This technique can be implemented at a pulsed neutron source with a short initial pulse allowing for the measurement of the energy of each registered neutron by the time of flight technique. A neutron counting detector with relatively high timing and spatial resolution is used to demonstrate the possibility to obtain temperature distributions across a 100 µm Ta foil with ~millimeter spatial resolution. Moreover, a neutron transmission measurement over a wide energy range can provide spatially resolved sample information such as temperature, elemental composition and microstructure properties simultaneously.

  17. X-ray characterization by energy-resolved powder diffraction

    Directory of Open Access Journals (Sweden)

    G. Cheung

    2016-08-01

    Full Text Available A method for single-shot, nondestructive characterization of broadband x-ray beams, based on energy-resolved powder diffraction, is described. Monte-Carlo simulations are used to simulate data for x-ray beams in the keV range with parameters similar to those generated by betatron oscillations in a laser-driven plasma accelerator. The retrieved x-ray spectra are found to be in excellent agreement with those of the input beams for realistic numbers of incident photons. It is demonstrated that the angular divergence of the x rays can be deduced from the deviation of the detected photons from the Debye-Scherrer rings which would be produced by a parallel beam. It is shown that the angular divergence can be measured as a function of the photon energy, yielding the angularly resolved spectrum of the input x-ray beam.

  18. Photolysis of n-butyl nitrite and isoamyl nitrite at 355 nm: A time-resolved Fourier transform infrared emission spectroscopy and ab initio study

    CERN Document Server

    Ji, Min; Zhang, Qun; Chen, Yang

    2009-01-01

    We report on the photodissociation dynamics study of n-butyl nitrite (n-C_4H_9ONO) and isoamyl nitrite ((CH_3)_2C_3H_5ONO) by means of time-resolved Fourier transform infrared (TR-FTIR) emission spectroscopy. The obtained TR-FTIR emission spectra of the nascent NO fragments produced in the 355-nm laser photolysis of the two alkyl nitrite species showed an almost identical rotational temperature and vibrational distributions of NO. In addition, a close resemblance between the two species was also found in the measured temporal profiles of the IR emission of NO and the recorded UV absorption spectra. The experimental results are consistent with our ab initio calculations using the time-dependent density functional theory at the B3LYP/6-311G(d,p) level, which indicate that the substitution of one of the two {gamma}-H atoms in n-C_4H_9ONO with a methyl group to form (CH_3)_2C_3H_5ONO has only a minor effect on the photodissociation dynamics of the two molecules.

  19. Rotational state detection of electrically trapped polyatomic molecules

    CERN Document Server

    Glöckner, Rosa; Rempe, Gerhard; Zeppenfeld, Martin

    2014-01-01

    Detecting the internal state of polar molecules is a substantial challenge when standard techniques such as resonance-enhanced multi photon ionization (REMPI) or laser-induced fluorescense (LIF) do not work. As this is the case for most polyatomic molecule species, we here investigate an alternative based on state selective removal of molecules from an electrically trapped ensemble. Specifically, we deplete molecules by driving rotational and/or vibrational transitions to untrapped states. Fully resolving the rotational state with this method can be a considerable challenge as the frequency differences between various transitions is easily substantially less than the Stark broadening in an electric trap. However, making use of a unique trap design providing homogeneous fields in a large fraction of the trap volume, we successfully discriminate all rotational quantum numbers, including the rotational M-substate.

  20. Quantitative experimental studies of spontaneous rotations of bismuth nanoparticles

    Science.gov (United States)

    Be'Er, Avraham; Kofman, Richard; Phillipp, Fritz; Lereah, Yossi

    2006-12-01

    A phenomenon of spontaneous rotations of Bi nanoparticles is reported. Fourier transform (FT) analysis of the high resolution electron microscopy (HREM) images indicates that the rotations occur by plane after plane gliding rather than a collective movement of the entire particle as a rigid body. The phenomenon rate was studied quantitatively by time resolved transmission electron microscopy (TEM). The origin of the phenomenon as a radiation effect of the high voltage electron beam was excluded by finding the same rates at 200kV and 1250kV electron beams, below and above the threshold for the knock-on process. The dependence of phenomenon rate on the particles’ size was found to be inversely proportional to the particle volume, with a threshold at particle radius of 5nm . The temperature was found to activate both the probability for a particle to be in the rotating state, and the rotation rate.

  1. Freely-tunable broadband polarization rotator for terahertz waves

    Science.gov (United States)

    Peng, Ru-Wen; Fan, Ren-Hao; Zhou, Yu; Jiang, Shang-Chi; Xiong, Xiang; Huang, Xian-Rong; Wang, Mu

    It is known that commercially-available terahertz (THz) emitters usually generate linearly polarized waves only along certain directions, but in practice, a polarization rotator that is capable of rotating the polarization of THz waves to any direction is particularly desirable and it will have various important applications. In this work, we demonstrate a freely tunable polarization rotator for broadband THz waves using a three-rotating-layer metallic grating structure, which can conveniently rotate the polarization of a linearly polarized THz wave to any desired direction with nearly perfect conversion efficiency. The device performance has been experimentally demonstrated by both THz transmission spectra and direct imaging. The polarization rotation originates from multi wave interference in the three-layer grating structure based on the scattering-matrix analysis. We can expect that this active broadband polarization rotator has wide applications in analytical chemistry, biology, communication technology, imaging, etc.. Reference: R. H. Fan, Y. Zhou, X. P. Ren, R. W. Peng, S. C. Jiang, D. H. Xu, X. Xiong, X. R. Huang, and Mu Wang, Advanced Materials 27,1201(2015). Freely-tunable broadband polarization rotator for terahertz waves.

  2. Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of NaI Molecules

    Institute of Scientific and Technical Information of China (English)

    LIU Yu-Fang; ZHAI Hong-Sheng; GAO Ya-Li; LIU Rui-Qiong

    2008-01-01

    The time-resolved photoelectron spectra (TRPES) of Ned molecules are calculated by using the time-dependent wave packet method. Two different potential energy curves (adiabatic and diabatic) are adopted in the simulation. The third peak of the photoelectron spectra presented in the adiabatic calculation is induced by the reflection of the wave packet. The oscillating of the wave packet onto the diabatic energy curve is a decreasing process. The comparison of the photoelectron spectra between the two different calculations (adiabatic and diabatic) is presented.

  3. Approaches to resolving trade disputes.

    Science.gov (United States)

    Wilson, D W; Thiermann, A B

    2003-08-01

    The authors discuss the various approaches to resolving trade disputes available to Member Countries of the OIE (World organisation for animal health). The paper first describes the rights and obligations of Member Countries in setting health measures for the importation of animals and animal products, according to the provisions of the World Trade Organization (WTO) Agreement on the Application of Sanitary and Phytosanitary Measures (the SPS Agreement). The authors indicate how OIE standards may be used to set import measures and introduce issues such as equivalence and the use of provisional measures, which are both areas of potential conflict. The authors then describe the options available for resolving disputes--bilateral discussions, mediation through the OIE, the use of the WTO SPS Committee and the formal WTO dispute settlement process, discussing the advantages and disadvantages of each.

  4. Angle-resolved photoemission study of Ag(1 1 1)

    Science.gov (United States)

    Edamoto, K.; Miyazaki, E.; Shimokoshi, K.; Kato, H.

    1990-01-01

    The (1 1 1) face of Ag has been studied by angle-resolved photoemission spectroscopy utilizing synchrotron radiation as the excitation source (25 FIRO method. The peak positions thus determined are used to map the dispersion curves along the lang1 1 1rang (Γ-L) direction. The results show general agreement with calculated band structure, so far as the energy levels and symmetries are concerned. However, it is found that the density of state effect is dominant in the spectra obtained in the present photon energy region. The emission from the Ag 5s, p bands is observed to be broadened due to the indirect transition process.

  5. Spatially resolved voltage, current and electrochemical impedance spectroscopy measurements

    Energy Technology Data Exchange (ETDEWEB)

    Gerteisen, D.; Kurz, T.; Schwager, M.; Hebling, C. [Fraunhofer Institute for Solar Energy Systems ISE, Freiburg im Breisgau (Germany); Merida, W. [Clean Energy Research Centre, University of British Columbia, Vancouver, BC (Canada); Lupotto, P. [Materials Mates Italia, Milano (Italy)

    2011-04-15

    In this work a 50-channel characterisation system for PEMFCs is presented. The system is capable of traditional electrochemical measurements (e.g. staircase voltammetry, chronoamperometry and cyclic voltammetry), and concurrent EIS measurements. Unlike previous implementations, this system relies on dedicated potentiostats for current and voltage control, and independent frequency response analysers (FRAs) at each channel. Segmented fuel cell hardware is used to illustrate the system's flexibility and capabilities. The results here include steady-state data for cell characterisation under galvanostatic and potentiostatic control as well as spatially resolved impedance spectra. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Spectrally resolved visualization of fluorescent dyes permeating into skin

    Science.gov (United States)

    Maeder, Ulf; Bergmann, Thorsten; Beer, Sebastian; Burg, Jan Michael; Schmidts, Thomas; Runkel, Frank; Fiebich, Martin

    2012-03-01

    We present a spectrally resolved confocal imaging approach to qualitatively asses the overall uptake and the penetration depth of fluorescent dyes into biological tissue. We use a confocal microscope with a spectral resolution of 5 nm to measure porcine skin tissue after performing a Franz-Diffusion experiment with a submicron emulsion enriched with the fluorescent dye Nile Red. The evaluation uses linear unmixing of the dye and the tissue autofluorescence spectra. The results are combined with a manual segmentation of the skin's epidermis and dermis layers to assess the penetration behavior additionally to the overall uptake. The diffusion experiments, performed for 3h and 24h, show a 3-fold increased dye uptake in the epidermis and dermis for the 24h samples. As the method is based on spectral information it does not face the problem of superimposed dye and tissue spectra and therefore is more precise compared to intensity based evaluation methods.

  7. Time-resolved vibrational spectroscopy of a molecular shuttle.

    Science.gov (United States)

    Panman, Matthijs R; Bodis, Pavol; Shaw, Danny J; Bakker, Bert H; Newton, Arthur C; Kay, Euan R; Leigh, David A; Buma, Wybren Jan; Brouwer, Albert M; Woutersen, Sander

    2012-02-14

    Time-resolved vibrational spectroscopy is used to investigate the inter-component motion of an ultraviolet-triggered two-station molecular shuttle. The operation cycle of this molecular shuttle involves several intermediate species, which are observable in the amide I and amide II regions of the mid-IR spectrum. Using ab initio calculations on specific parts of the rotaxane, and by comparing the transient spectra of the normal rotaxane with that of the N-deuterated version, we can assign the observed vibrational modes of each species occurring during the shuttling cycle in an unambiguous way. The complete time- and frequency-dependent data set is analyzed using singular value decomposition (SVD). Using a kinetic model to describe the time-dependent concentrations of the transient species, we derive the absorption spectra associated with each stage in the operation cycle of the molecular shuttle, including the recombination of the charged species.

  8. Time-resolved molecular imaging

    Science.gov (United States)

    Xu, Junliang; Blaga, Cosmin I.; Agostini, Pierre; DiMauro, Louis F.

    2016-06-01

    Time-resolved molecular imaging is a frontier of ultrafast optical science and physical chemistry. In this article, we review present and future key spectroscopic and microscopic techniques for ultrafast imaging of molecular dynamics and show their differences and connections. The advent of femtosecond lasers and free electron x-ray lasers bring us closer to this goal, which eventually will extend our knowledge about molecular dynamics to the attosecond time domain.

  9. Resolved observations of transition disks

    CERN Document Server

    Casassus, Simon

    2016-01-01

    Resolved observations are bringing new constraints on the origin of radial gaps in protoplanetary disks. The kinematics, sampled in detail in one case-study, are indicative of non-Keplerian flows, corresponding to warped structures and accretion which may both play a role in the development of cavities. Disk asymmetries seen in the radio continuum are being interpreted in the context of dust segregation via aerodynamic trapping. We summarise recent observational progress, and also describe prospects for improvements in the near term.

  10. Time-series Doppler imaging of the red giant HD 208472. Active longitudes and differential rotation

    Science.gov (United States)

    Özdarcan, O.; Carroll, T. A.; Künstler, A.; Strassmeier, K. G.; Evren, S.; Weber, M.; Granzer, T.

    2016-10-01

    Context. HD 208472 is among the most active RS CVn binaries with cool starspots. Decade-long photometry has shown that the spots seem to change their longitudinal appearance with a period of about six years, coherent with brightness variations. Aims: Our aim is to spatially resolve the stellar surface of HD 208472 and relate the photometric results to the true longitudinal and latitudinal spot appearance. Furthermore, we investigate the surface differential rotation pattern of the star. Methods: We employed three years of high-resolution spectroscopic data with a high signal-to-noise ratio (S/N) from the STELLA robotic observatory and determined new and more precise stellar physical parameters. Precalculated synthetic spectra were fit to each of these spectra, and we provide new spot-corrected orbital elements. A sample of 34 absorption lines per spectrum was used to calculate mean line profiles with a S/N of several hundred. A total of 13 temperature Doppler images were reconstructed from these line profiles with the inversion code iMap. Differential rotation was investigated by cross-correlating successive Doppler images in each observing season. Results: Spots on HD 208472 are distributed preferably at high latitudes and less frequently around mid-to-low latitudes. No polar-cap like structure is seen at any epoch. We observed a flip-flop event between 2009 and 2010, manifested as a flip of the spot activity from phase 0.0 to phase 0.5, while the overall brightness of the star continued to increase and reached an all-time maximum in 2014. Cross-correlation of successive Doppler images suggests a solar-like differential rotation that is ≈15 times weaker than that of the Sun. Based on data obtained with the STELLA robotic telescope in Tenerife, an AIP facility jointly operated by AIP and IAC, and the Potsdam Automatic Photoelectric Telescopes (APT) in Arizona, jointly operated by AIP and Fairborn Observatory.Radial velocity measurements are only available at the

  11. Gauge invariance in the theoretical description of time-resolved angle-resolved pump/probe photoemission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Freericks, J. K.; Krishnamurthy, H. R.; Sentef, M. A.; Devereaux, T. P.

    2015-10-01

    Nonequilibrium calculations in the presence of an electric field are usually performed in a gauge, and need to be transformed to reveal the gauge-invariant observables. In this work, we discuss the issue of gauge invariance in the context of time-resolved angle-resolved pump/probe photoemission. If the probe is applied while the pump is still on, one must ensure that the calculations of the observed photocurrent are gauge invariant. We also discuss the requirement of the photoemission signal to be positive and the relationship of this constraint to gauge invariance. We end by discussing some technical details related to the perturbative derivation of the photoemission spectra, which involve processes where the pump pulse photoexcites electrons due to nonequilibrium effects.

  12. Weak Total Resolvability In Graphs

    Directory of Open Access Journals (Sweden)

    Casel Katrin

    2016-02-01

    Full Text Available A vertex v ∈ V (G is said to distinguish two vertices x, y ∈ V (G of a graph G if the distance from v to x is di erent from the distance from v to y. A set W ⊆ V (G is a total resolving set for a graph G if for every pair of vertices x, y ∈ V (G, there exists some vertex w ∈ W − {x, y} which distinguishes x and y, while W is a weak total resolving set if for every x ∈ V (G−W and y ∈ W, there exists some w ∈ W −{y} which distinguishes x and y. A weak total resolving set of minimum cardinality is called a weak total metric basis of G and its cardinality the weak total metric dimension of G. Our main contributions are the following ones: (a Graphs with small and large weak total metric bases are characterised. (b We explore the (tight relation to independent 2-domination. (c We introduce a new graph parameter, called weak total adjacency dimension and present results that are analogous to those presented for weak total dimension. (d For trees, we derive a characterisation of the weak total (adjacency metric dimension. Also, exact figures for our parameters are presented for (generalised fans and wheels. (e We show that for Cartesian product graphs, the weak total (adjacency metric dimension is usually pretty small. (f The weak total (adjacency dimension is studied for lexicographic products of graphs.

  13. Lifetime Resolved Fluorescence Fluctuation Spectroscopy

    Science.gov (United States)

    Guo, Peng; Berland, Keith

    2009-11-01

    Fluorescence correlation spectroscopy (FCS) has been widely used investigate molecular dynamics and interactions in biological systems. FCS typically resolves the component species of a sample either through differences in diffusion coefficient or molecular brightness. Diffusion based assays currently have a major limitation which requires that the diffusion coefficients of component species in a sample must be substantially different in order to be resolved. This criterion is not met in many important cases, such as when molecules of similar molecular weight bind to each other. This limitation can be overcome, and resolution of FCS measurements enhanced, by combining FCS measurements with measurements of fluorescence lifetimes. By using of global analysis on simultaneously acquired FCS and lifetime data we show that we can dramatically enhance resolution in FCS measurements, and accurately resolve the concentration and diffusion coefficients of multiple sample components even when their diffusion coefficients are identical provided there is a difference in the lifetime of the component species. We show examples of this technique using both simulations and experiments. It is expected that this method will be of significance for binding assays studying molecular interactions.

  14. A Keck/LRIS Spatially-Resolved Spectroscopic Study of a LINER Galaxy SDSS J091628.05+420818.7

    CERN Document Server

    Bae, Hyun-Jin; Yagi, Masafumi; Yoon, Suk-Jin; Yoshida, Michitoshi

    2012-01-01

    Using spatially-resolved spectra obtained with the Low Resolution Imaging Spectrometer at the Keck I telescope, we investigate the nature of ionizing sources and kinematic properties of emission-line gas in a LINER galaxy SDSS J091628.05+420818.7, which is a nearby (z = 0.0241) and bright (M_r = -20.2) early-type galaxy. After subtracting stellar absorption features using a combination of simple stellar population models, we measure the flux, line-of-sight velocity, and velocity dispersion of four emission lines, i.e., H{\\alpha}, H{\\beta}, [O III] {\\lambda}5007, and [N II] {\\lambda}6584, to study radial change of emission-line fluxes and velocities. Compared to the point-spread-function of the observation, the emission-line region is slightly extended but comparable to the seeing size. The central concentration of emission-line gas suggests that ionization is triggered by a nuclear source, excluding old stellar population as ionizing sources. We find that emission-line gas is counter-rotating with respect to ...

  15. Vibrations of rotating machinery

    CERN Document Server

    Matsushita, Osami; Kanki, Hiroshi; Kobayashi, Masao; Keogh, Patrick

    2017-01-01

    This book opens with an explanation of the vibrations of a single degree-of-freedom (dof) system for all beginners. Subsequently, vibration analysis of multi-dof systems is explained by modal analysis. Mode synthesis modeling is then introduced for system reduction, which aids understanding in a simplified manner of how complicated rotors behave. Rotor balancing techniques are offered for rigid and flexible rotors through several examples. Consideration of gyroscopic influences on the rotordynamics is then provided and vibration evaluation of a rotor-bearing system is emphasized in terms of forward and backward whirl rotor motions through eigenvalue (natural frequency and damping ratio) analysis. In addition to these rotordynamics concerning rotating shaft vibration measured in a stationary reference frame, blade vibrations are analyzed with Coriolis forces expressed in a rotating reference frame. Other phenomena that may be assessed in stationary and rotating reference frames include stability characteristic...

  16. Chiral Rotational Spectroscopy

    CERN Document Server

    Cameron, Robert P; Barnett, Stephen M

    2015-01-01

    We introduce chiral rotational spectroscopy: a new technique that enables the determination of the individual optical activity polarisability components $G_{XX}'$, $G_{YY}'$, $G_{ZZ}'$, $A_{X,YZ}$, $A_{Y,ZX}$ and $A_{Z,XY}$ of chiral molecules, in a manner that reveals the enantiomeric constitution of a sample whilst yielding an incisive signal even for a racemate. Chiral rotational spectroscopy could find particular use in the analysis of molecules that are chiral by virtue of their isotopic constitution and molecules with multiple chiral centres. The principles that underpin chiral rotational spectroscopy can also be exploited in the search for molecular chirality in space, which, if found, may add weight to hypotheses that biological homochirality and indeed life itself are of cosmic origin.

  17. Chiral rotational spectroscopy

    Science.gov (United States)

    Cameron, Robert P.; Götte, Jörg B.; Barnett, Stephen M.

    2016-09-01

    We introduce chiral rotational spectroscopy, a technique that enables the determination of the orientated optical activity pseudotensor components BX X, BY Y, and BZ Z of chiral molecules, in a manner that reveals the enantiomeric constitution of a sample and provides an incisive signal even for a racemate. Chiral rotational spectroscopy could find particular use in the analysis of molecules that are chiral solely by virtue of their isotopic constitution and molecules with multiple chiral centers. A basic design for a chiral rotational spectrometer together with a model of its functionality is given. Our proposed technique offers the more familiar polarizability components αX X, αY Y, and αZ Z as by-products, which could see it find use even for achiral molecules.

  18. Rotating ice blocks

    Science.gov (United States)

    Dorbolo, Stephane; Adami, Nicolas; Grasp Team

    2014-11-01

    The motion of ice discs released at the surface of a thermalized bath was investigated. As observed in some rare events in the Nature, the discs start spinning spontaneously. The motor of this motion is the cooling of the water close to the ice disc. As the density of water is maximum at 4°C, a downwards flow is generated from the surface of the ice block to the bottom. This flow generates the rotation of the disc. The speed of rotation depends on the mass of the ice disc and on the temperature of the bath. A model has been constructed to study the influence of the temperature of the bath. Finally, ice discs were put on a metallic plate. Again, a spontaneous rotation was observed. FNRS is thanked for financial support.

  19. The optical rotator

    DEFF Research Database (Denmark)

    Tandrup, T; Gundersen, Hans Jørgen Gottlieb; Jensen, Eva B. Vedel

    1997-01-01

    The optical rotator is an unbiased, local stereological principle for estimation of cell volume and cell surface area in thick, transparent slabs, The underlying principle was first described in 1993 by Kieu Jensen (T. Microsc. 170, 45-51) who also derived an estimator of length, In this study we...... further discuss the methods derived from this principle and present two new local volume estimators. The optical rotator benefits from information obtained in all three dimensions in thick sections but avoids over-/ underprojection problems at the extremes of the cell. Using computer-assisted microscopes...... the extra measurements demand minimal extra effort and make this estimator even more efficient when it comes to estimation of individual cell size than many of the previous local estimators, We demonstrate the principle of the optical rotator in an example (the cells in the dorsal root ganglion of the rat...

  20. Rotation of cometary meteoroids

    CERN Document Server

    Capek, David

    2014-01-01

    The aim of this study is to estimate the rotational characteristics of meteoroids after their release from a comet during normal activity. The results can serve as initial conditions for further analyses of subsequent evolution of rotation in the interplanetary space. A sophisticated numerical model was applied to meteoroids ejected from 2P/Encke comet. The meteoroid shapes were approximated by polyhedrons with several thousands of surface elements, which have been determined by 3D laser scanning method of 36 terrestrial rock samples. These samples came from three distinct sets with different origin and shape characteristics. Two types of gas-meteoroid interactions (diffuse and specular reflection of gas molecules from the surface of meteoroid) and three gas ejection models (leading to very different ejection velocities) were assumed. The rotational characteristics of ejected meteoroid population were obtained by numerical integration of equations of motion with random initial conditions and random shape sele...

  1. Supernova Seismology: Gravitational Wave Signatures of Rapidly Rotating Core Collapse

    CERN Document Server

    Fuller, Jim; Abdikamalov, Ernazar; Ott, Christian

    2015-01-01

    Gravitational waves (GW) generated during a core-collapse supernova open a window into the heart of the explosion. At core bounce, progenitors with rapid core rotation rates exhibit a characteristic GW signal which can be used to constrain the properties of the core of the progenitor star. We investigate the dynamics of rapidly rotating core collapse, focusing on hydrodynamic waves generated by the core bounce and the GW spectrum they produce. The centrifugal distortion of the rapidly rotating proto-neutron star (PNS) leads to the generation of axisymmetric quadrupolar oscillations within the PNS and surrounding envelope. Using linear perturbation theory, we estimate the frequencies, amplitudes, damping times, and GW spectra of the oscillations. Our analysis provides a qualitative explanation for several features of the GW spectrum and shows reasonable agreement with nonlinear hydrodynamic simulations, although a few discrepancies due to non-linear/rotational effects are evident. The dominant early postbounce...

  2. Comparison between formulas of rotational band for axially symmetric deformed nuclei

    Institute of Scientific and Technical Information of China (English)

    WU Xi; LEI Yi-An

    2008-01-01

    The experimental rotational spectra of the deformed nuclei available in even-even and odd-A nuclei in the rare-earth and actinide regions are systematically analyzed with several rotational spectra formulas,including Bohr-Mottelson's I(I+l)-expansion,Harris'w2-expansion,ab and abc formulas.It is shown that the simple 2-parameter ab formula is much better than the widely used 2-parameter Bohr-Mottelson's AB formula and Harris'αβ formula.The available data of the rotational spectra of both ground-state band in even-even nuclei and one-quaasiparticle band in odd-A nuclei can be conveniently and rather accurately reproduced by ab formula and abc formula.The moment of inertia and the variation with rotational frequency of angular momentum can be satisfactorily reproduced by ab and abc formulas.

  3. Effect of Laser Annealing on Permeability Spectra in Co-based Amorphous Ribbon

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    We investigated the variation of permeability spectra and relaxation frequency in Co-based amor phous ribbon annealed by pulsed Nd:YAG laser at various annealing energy Ea. The complex permeability spectra varies sensitively with the annealing energy, where the spectra could be decomposed into two contributions from domain wall motion,μdw(f)and rotational magnetiza tion μrot(f) by analyzing the rneasured spectra as a function of driving ac field amplitude. The magnitude ofμdw(f) andμrot(f) in dc limit shows maximum at Ea = 176 mJ. The maximum relaxation frequency for rotational magnetization, determined byu″(f) curve, is about 700 kHz at Ea=62 mJ but that for wall motion is about 26 kHz at 230 mJ. These variations reflect the increase of magnetic softness and microstructural change by the annealing.

  4. Imaging electron dynamics with time- and angle-resolved photoelectron spectroscopy

    CERN Document Server

    Popova-Gorelova, Daria; Santra, Robin

    2016-01-01

    We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a molecule by creating a valence electron hole. An ultrashort extreme ultraviolet (XUV) probe pulse creates a second electron hole in the molecule. Information about the electron dynamics is accessed by analyzing angular distributions of photoemission probabilities at a fixed photoelectron energy. We demonstrate that a rigorous theoretical analysis, which takes into account the indistinguishability of transitions induced by the ultrashort, broadband probe pulse and electron hole correlation effects, is necessary for the interpretation of time- and angle-resolved photoelectron spectra. We show how a Fourier analysis of time- and angle-resolved photoelectron spectra from a molecule can be applied to follow its electron dynamics by considering photoelectron distributions from an indol...

  5. Excited states rotational effects on the behavior of excited molecules

    CERN Document Server

    Lim, Edward C

    2013-01-01

    Excited States, Volume 7 is a collection of papers that discusses the excited states of molecules. The first paper reviews the rotational involvement in intra-molecular in vibrational redistribution. This paper analyzes the vibrational Hamiltonian as to its efficacy in detecting the manifestations of intra-molecular state-mixing in time-resolved and time-averaged spectroscopic measurements. The next paper examines the temporal behavior of intra-molecular vibration-rotation energy transfer (IVRET) and the effects of IVRET on collision, reaction, and the decomposition processes. This paper also

  6. Effect of rotation on a rotating hot-wire sensor

    Science.gov (United States)

    Hah, C.; Lakshminarayana, B.

    1978-01-01

    An investigation was conducted to discern the effects of centrifugal and Coriolis forces on a rotating hot-wire. The probe was calibrated in a wind tunnel as well as in a rotating mode. The effect of rotation was found to be negligibly small. A small change in cold resistance (1.5%) was observed in the rotating wire. The rotation seems to have a negligible effect on the fluid mechanics, heat transfer and material characteristics of the wire. This is a significant conclusion in view of the potential application of the hot-wire probe in a rotating passage (such as turbomachinery).

  7. Resolving the bulk ion region of millimeter-wave collective Thomson scattering spectra at ASDEX Upgrade

    DEFF Research Database (Denmark)

    Stejner Pedersen, Morten; Nielsen, Stefan Kragh; Jacobsen, Asger Schou

    2014-01-01

    Collective Thomson scattering (CTS) measurements provide information about the composition and velocity distribution of confined ion populations in fusion plasmas. The bulk ion part of the CTS spectrum is dominated by scattering off fluctuations driven by the motion of thermalized ion populations...

  8. Classification of Battlespace Detonations from Temporally Resolved Multi-Band Imagery and Mid-Infrared Spectra

    Science.gov (United States)

    2005-03-01

    called the heat of detonation and includes only the combustion of the explosive reactants, not the heat associated with the secondary afterburn. This...32:24] 2. Basic Phenomenology As mentioned earlier, the heat of detonation ∆H is the heat (or energy) generated during the reaction and is...232, −++++= eTdTcTbTaTC ip , (5) where the coefficients a through e are defined in Table 2, the heat of detonation becomes an integral

  9. Intracellular Monitoring of AS1411 Aptamer by Time-Resolved Microspectrofluorimetry and Fluorescence Imaging.

    Science.gov (United States)

    Kočišová, Eva; Praus, Petr; Bok, Jiří; Bonneau, Stéphanie; Sureau, Franck

    2015-09-01

    Time-resolved microspectrofluorimetry and fluorescence microscopy imaging-two complementary fluorescence techniques-provide important information about the intracellular distribution, level of uptake and binding/interactions inside living cell of the labeled molecule of interest. They were employed to monitor the "fate" of AS1411 aptamer labeled by ATTO 425 in human living cells. Confocal microspectrofluorimeter adapted for time-resolved intracellular fluorescence measurements by using a phase-modulation principle with homodyne data acquisition was employed to obtain emission spectra and to determine fluorescence lifetimes in U-87 MG tumor brain cells and Hs68 non-tumor foreskin cells. Acquired spectra from both the intracellular space and the reference solutions were treated to observe the aptamer localization and its interaction with biological structures inside the living cell. The emission spectra and the maximum emission wavelengths coming from the cells are practically identical, however significant lifetime lengthening was observed for tumor cell line in comparison to non-tumor one.

  10. Magnetic rotation – past, present and future

    Indian Academy of Sciences (India)

    A K Jain; Deepika Choudhury

    2010-07-01

    Magnetic-dipole rotational (MR) bands were discovered about 15 years ago without any theoretical prediction in contrast to the super-deformed (SD) bands which were predicted long ago. First identification of a quasirotational structure as MR band occurred around 1992 although Kr isotopes probably have the first set of data having the signatures of MR bands as shown by us. Our first compilation of MR bands listed 120 MR bands in 56 nuclides which have now grown to more than 180 bands in 80 nuclides. We have observed new MR bands in the = 130 mass region in 137Pr,139Nd and 135Ba nuclei. This led to the observation of the smallest MR bands in 137Pr, multiple minima in the deformation in 135Ba, coexistence of band structure based on these minima and band crossing of MR bands in = 130 region. Some of these results have been reviewed in this paper along with theoretical calculations. There are still a number of questions related to MR bands which have not been fully resolved. The role of neutrons/protons in magnetic rotation still needs to be delineated. Do the MR bands follow the ( + 1) behaviour? Are these structures as regular as normal rotational bands? How important is the existence of deformation for MR bands? We address some of these questions in this paper.

  11. Parity violation constraints using cosmic microwave background polarization spectra from 2006 and 2007 observations by the QUaD polarimeter.

    Science.gov (United States)

    Wu, E Y S; Ade, P; Bock, J; Bowden, M; Brown, M L; Cahill, G; Castro, P G; Church, S; Culverhouse, T; Friedman, R B; Ganga, K; Gear, W K; Gupta, S; Hinderks, J; Kovac, J; Lange, A E; Leitch, E; Melhuish, S J; Memari, Y; Murphy, J A; Orlando, A; Piccirillo, L; Pryke, C; Rajguru, N; Rusholme, B; Schwarz, R; O'Sullivan, C; Taylor, A N; Thompson, K L; Turner, A H; Zemcov, M

    2009-04-24

    We constrain parity-violating interactions to the surface of last scattering using spectra from the QUaD experiment's second and third seasons of observations by searching for a possible systematic rotation of the polarization directions of cosmic microwave background photons. We measure the rotation angle due to such a possible "cosmological birefringence" to be 0.55 degrees +/-0.82 degrees (random) +/-0.5 degrees (systematic) using QUaD's 100 and 150 GHz temperature-curl and gradient-curl spectra over the spectra over the multipole range 200Lorentz-violating interactions to violation on cosmological scales.

  12. Pileup correction of microdosimetric spectra

    CERN Document Server

    Langen, K M; Lennox, A J; Kroc, T K; De Luca, P M

    2002-01-01

    Microdosimetric spectra were measured at the Fermilab neutron therapy facility using low pressure proportional counters operated in pulse mode. The neutron beam has a very low duty cycle (<0.1%) and consequently a high instantaneous dose rate which causes distortions of the microdosimetric spectra due to pulse pileup. The determination of undistorted spectra at this facility necessitated (i) the modified operation of the proton accelerator to reduce the instantaneous dose rate and (ii) the establishment of a computational procedure to correct the measured spectra for remaining pileup distortions. In support of the latter effort, two different pileup simulation algorithms using analytical and Monte-Carlo-based approaches were developed. While the analytical algorithm allows a detailed analysis of pileup processes it only treats two-pulse and three-pulse pileup and its validity is hence restricted. A Monte-Carlo-based pileup algorithm was developed that inherently treats all degrees of pileup. This algorithm...

  13. 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...

  14. Absorption Spectra of Astaxanthin Aggregates

    CERN Document Server

    Olsina, Jan; Minofar, Babak; Polivka, Tomas; Mancal, Tomas

    2012-01-01

    Carotenoids in hydrated polar solvents form aggregates characterized by dramatic changes in their absorption spectra with respect to monomers. Here we analyze absorption spectra of aggregates of the carotenoid astaxanthin in hydrated dimethylsulfoxide. Depending on water content, two types of aggregates were produced: H-aggregates with absorption maximum around 390 nm, and J-aggregates with red-shifted absorption band peaking at wavelengths >550 nm. The large shifts with respect to absorption maximum of monomeric astaxanthin (470-495 nm depending on solvent) are caused by excitonic interaction between aggregated molecules. We applied molecular dynamics simulations to elucidate structure of astaxanthin dimer in water, and the resulting structure was used as a basis for calculations of absorption spectra. Absorption spectra of astaxanthin aggregates in hydrated dimethylsulfoxide were calculated using molecular exciton model with the resonance interaction energy between astaxanthin monomers constrained by semi-e...

  15. 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.

  16. The Spatiale Rotator

    DEFF Research Database (Denmark)

    Rasmusson, Allan

    2009-01-01

    The inherent demand for unbiasedness for some stereological estimators imposes a demand of not only positional uniform randomness but also isotropic randomness, i.e. directional uniform randomness. In order to comply with isotropy, one must perform a random rotation of the object of interest befo...

  17. Rotator Cuff Injuries.

    Science.gov (United States)

    Connors, G. Patrick

    Many baseball players suffer from shoulder injuries related to the rotator cuff muscles. These injuries may be classified as muscular strain, tendonitis or tenosynovitis, and impingement syndrome. Treatment varies from simple rest to surgery, so it is important to be seen by a physician as soon as possible. In order to prevent these injuries, the…

  18. Rotator Cuff Injuries.

    Science.gov (United States)

    Connors, G. Patrick

    Many baseball players suffer from shoulder injuries related to the rotator cuff muscles. These injuries may be classified as muscular strain, tendonitis or tenosynovitis, and impingement syndrome. Treatment varies from simple rest to surgery, so it is important to be seen by a physician as soon as possible. In order to prevent these injuries, the…

  19. Compact rotating cup anemometer

    Science.gov (United States)

    Wellman, J. B.

    1968-01-01

    Compact, collapsible rotating cup anemometer is used in remote locations where portability and durability are factors in the choice of equipment. This lightweight instrument has a low wind-velocity threshold, is capable of withstanding large mechanical shocks while in its stowed configuration, and has fast response to wind fluctuations.

  20. The rotating quantum vacuum

    CERN Document Server

    Davies, Paul Charles William; Manogue, C A; Davies, Paul C W; Dray, Tevian; Manogue, Corinne A

    1996-01-01

    We derive conditions for rotating particle detectors to respond in a variety of bounded spacetimes and compare the results with the folklore that particle detectors do not respond in the vacuum state appropriate to their motion. Applications involving possible violations of the second law of thermodynamics are briefly addressed.

  1. Rotationally Actuated Prosthetic Hand

    Science.gov (United States)

    Norton, William E.; Belcher, Jewell G., Jr.; Carden, James R.; Vest, Thomas W.

    1991-01-01

    Prosthetic hand attached to end of remaining part of forearm and to upper arm just above elbow. Pincerlike fingers pushed apart to degree depending on rotation of forearm. Simpler in design, simpler to operate, weighs less, and takes up less space.

  2. The rotation-activity relation in M dwarfs

    Science.gov (United States)

    Newton, Elisabeth R.; Irwin, Jonathan; Charbonneau, David; Berlind, Perry L.; Calkins, Michael L.; Mink, Jessica D.

    2017-01-01

    Main sequence stars with masses below approximately 0.35 solar masses are fully-convective, and are expected to have a different type of magnetic dynamo than solar-type stars. Observationally, the dynamo mechanism can be probed through the relationship between rotation and magnetic activity, and the evolution of these properties. Though M dwarfs are the most common type of star in the galaxy, a lack of observational constraints at ages beyond 1 Gyr has hampered studies of the rotation-activity relation. To address this, we have made new measurements of rotation and magnetic activity in nearby, field-age M dwarfs. Combining our 386 rotation period measurements and 247 new optical spectra with data from the literature, we are able to probe the rotation-activity in M dwarfs with masses from 0.1 to 0.6 solar masses. We observe a threshold in the mass--period plane that separates active and inactive M dwarfs. The threshold coincides with the fast-period edge of the slowly rotating population, at approximately the rotation period at which an era of rapid rotational evolution appears to cease. We confirm that the activity of rapidly rotating M dwarfs maintains a saturated value. We have measured rotation periods as long as 140 days, allowing us to probe the unsaturated regime in detail. Our data show a clear power-law decay in relative H-alpha luminosity as a function Rossby number. We discuss implications for the magnetic dynamo mechanism.We acknowledge funding from the National Science Foundation, the David and Lucile Packard Foundation Fellowship for Science and Engineering, and the John Templeton Foundation. E.R.N. acknowledges support from the NSF through a Graduate Research Fellowship and an Astronomy and Astrophysics Postdoctoral Fellowship.

  3. Pulsations of rapidly rotating stars: I. The ACOR numerical code

    CERN Document Server

    Ouazzani, Rhita-Maria; Reese, Daniel

    2012-01-01

    Very high precision seismic space missions such as CoRoT and Kepler provide the means of testing the modeling of transport processes in stellar interiors. For some stars, such as solar-like and red giant stars, a rotational splitting is measured. However, in order to fully exploit these splittings and constrain the rotation profile, one needs to be able to calculate them accurately. For some other stars, such as $\\delta$ Scuti and Be stars, for instance, the observed pulsation spectra are modified by rotation to such an extent that a perturbative treatment of the effects of rotation is no longer valid. We present here a new two-dimensional non-perturbative code, called ACOR (\\textit{Adiabatic Code of Oscillation including Rotation}) which allows us to compute adiabatic non-radial pulsations of rotating stars, without making any assumptions on the sphericity of the star, the fluid properties (i.e. baroclinicity) or the rotation profile. The 2D non-perturbative calculations fully take into account the centrifug...

  4. Rapid Rotation Above and Below the Substellar Boundary

    Science.gov (United States)

    Basri, G.

    1999-05-01

    I present the results of a multiyear survey of very low mass stars and brown dwarfs, at high spectral resolution. The echelle spectra were gathered with the HIRES spectrometer at the Keck Observatory. One primary purpose was to determine rotational velocities for many objects of the late M and L spectral classes. Some of these objects are confirmed brown dwarfs, others are stars near the bottom of the main sequence, and some might be either. I show that the initial indication provided by BRI 0021, that such objects tend to be rapidly rotating and display little H-alpha emission, proves to be a common characteristic. There is a general trend to higher rotation velocities as one looks to objects of lower luminosity; the fastest rotator found so far is the brown dwarf Kelu-1 at 80 km/s (which implies a rotation period of about 90 minutes!). The most active object, PC 0025 (which may well be a brown dwarf), is a relatively slow rotator and probably very young. I discuss a possible explanation for these results: the dynamos for these objects are fully turbulent, driven by convection (and therefore indirectly by the object's luminosity), and quenched when the rotational velocities become too fast in comparison to the convective velocities. I thank the NSF for its support through grant AST96-18439.

  5. An improved dynamic subgrid-scale model and its application to large eddy simulation of rotating channel flows

    Institute of Scientific and Technical Information of China (English)

    LIU; Nansheng; LU; Xiyun; ZHUANG; Lixian

    2004-01-01

    A new dynamic subgrid-scale (SGS) model, which is proved to satisfy the principle of asymptotic material frame indifference (AMFI) for rotating turbulence, is proposed based on physical and mathematical analysis. Comparison with direct numerical simulation (DNS) results verifies that the new SGS model is effective for large eddy simulation (LES) on rotating turbulent flow. The SGS model is then applied to the LES of the spanwise rotating turbulent channel flow to investigate the rotation effect on turbulence characteristics, budget terms in the transport equations of resolved Reynolds stresses, and flow structures near the wall regions of the rotating channel.

  6. FTIR Rotational Spectroscopy.

    Science.gov (United States)

    Woods, Ron; Henderson, Giles

    1987-01-01

    Presented are representative examples of the spectra and the analyses for a linear molecule (HC1), a symmetric top molecule (NH3), and an asymmetric top (H2O). Any combination of these projects could be incorporated in a physical chemistry or molecular spectroscopy laboratory. (RH)

  7. Wave-driven Rotation in Supersonically Rotating Mirrors

    Energy Technology Data Exchange (ETDEWEB)

    A. Fetterman and N.J. Fisch

    2010-02-15

    Supersonic rotation in mirrors may be produced by radio frequency waves. The waves produce coupled diffusion in ion kinetic and potential energy. A population inversion along the diffusion path then produces rotation. Waves may be designed to exploit a natural kinetic energy source or may provide the rotation energy on their own. Centrifugal traps for fusion and isotope separation may benefit from this wave-driven rotation.

  8. Broadband Mid-Infrared Comb-Resolved Fourier Transform Spectroscopy

    Science.gov (United States)

    Lee, Kevin; Mills, Andrew; Mohr, Christian; Jiang, Jie; Fermann, Martin; Maslowski, Piotr

    2014-06-01

    We report on a comb-resolved, broadband, direct-comb spectroscopy system in the mid-IR and its application to the detection of trace gases and molecular line shape analysis. By coupling an optical parametric oscillator (OPO), a 100 m multipass cell, and a high-resolution Fourier transform spectrometer (FTS), sensitive, comb-resolved broadband spectroscopy of dilute gases is possible. The OPO has radiation output at 3.1-3.7 and 4.5-5.5 μm. The laser repetition rate is scanned to arbitrary values with 1 Hz accuracy around 417 MHz. The comb-resolved spectrum is produced with an absolute frequency axis depending only on the RF reference (in this case a GPS disciplined oscillator), stable to 1 part in 10^9. The minimum detectable absorption is 1.6x10-6 wn Hz-1/2. The operating range of the experimental setup enables access to strong fundamental transitions of numerous molecular species for applications based on trace gas detection such as environmental monitoring, industrial gas calibration or medical application of human breath analysis. In addition to these capabilities, we show the application for careful line shape analysis of argon-broadened CO band spectra around 4.7 μm. Fits of the obtained spectra clearly illustrate the discrepancy between the measured spectra and the Voigt profile (VP), indicating the need to include effects such as Dicke narrowing and the speed-dependence of the collisional width and shift in the line shape model, as was shown in previous cw-laser studies. In contrast to cw-laser based experiments, in this case the entire spectrum (˜ 250 wn) covering the whole P and R branches can be measured in 16 s with 417 MHz resolution, decreasing the acquisition time by orders of magnitude. The parallel acquisition allows collection of multiple lines simultaneously, removing the correlation of possible temperature and pressure drifts. While cw-systems are capable of measuring spectra with higher precision, this demonstration opens the door for fast

  9. Estimation of damped oscillation associated spectra from ultrafast transient absorption spectra

    Science.gov (United States)

    van Stokkum, Ivo H. M.; Jumper, Chanelle C.; Snellenburg, Joris J.; Scholes, Gregory D.; van Grondelle, Rienk; Malý, Pavel

    2016-11-01

    When exciting a complex molecular system with a short optical pulse, all chromophores present in the system can be excited. The resulting superposition of electronically and vibrationally excited states evolves in time, which is monitored with transient absorption spectroscopy. We present a methodology to resolve simultaneously the contributions of the different electronically and vibrationally excited states from the complete data. The evolution of the excited states is described with a superposition of damped oscillations. The amplitude of a damped oscillation cos(ωnt)exp(-γnt) as a function of the detection wavelength constitutes a damped oscillation associated spectrum DOASn(λ) with an accompanying phase characteristic φn(λ). In a case study, the cryptophyte photosynthetic antenna complex PC612 which contains eight bilin chromophores was excited by a broadband optical pulse. Difference absorption spectra from 525 to 715 nm were measured until 1 ns. The population dynamics is described by four lifetimes, with interchromophore equilibration in 0.8 and 7.5 ps. We have resolved 24 DOAS with frequencies between 130 and 1649 cm-1 and with damping rates between 0.9 and 12 ps-1. In addition, 11 more DOAS with faster damping rates were necessary to describe the "coherent artefact." The DOAS contains both ground and excited state features. Their interpretation is aided by DOAS analysis of simulated transient absorption signals resulting from stimulated emission and ground state bleach.

  10. Differential rotation in solar-like stars from global simulations

    Energy Technology Data Exchange (ETDEWEB)

    Guerrero, G.; Kosovichev, A. G. [Solar Physics, HEPL, Stanford University, 452 Lomita Mall, Stanford, CA 94305-4085 (United States); Smolarkiewicz, P. K. [European Centre for Medium-Range Weather Forecasts, Reading RG2 9AX (United Kingdom); Mansour, N. N., E-mail: gag@stanford.edu, E-mail: sasha@sun.stanford.edu, E-mail: smolar@ecmwf.int, E-mail: nagi.n.mansour@nasa.gov [NASA, Ames Research Center, Moffett Field, Mountain View, CA 94040 (United States)

    2013-12-20

    To explore the physics of large-scale flows in solar-like stars, we perform three-dimensional anelastic simulations of rotating convection for global models with stratification resembling the solar interior. The numerical method is based on an implicit large-eddy simulation approach designed to capture effects from non-resolved small scales. We obtain two regimes of differential rotation, with equatorial zonal flows accelerated either in the direction of rotation (solar-like) or in the opposite direction (anti-solar). While the models with the solar-like differential rotation tend to produce multiple cells of meridional circulation, the models with anti-solar differential rotation result in only one or two meridional cells. Our simulations indicate that the rotation and large-scale flow patterns critically depend on the ratio between buoyancy and Coriolis forces. By including a sub-adiabatic layer at the bottom of the domain, corresponding to the stratification of a radiative zone, we reproduce a layer of strong radial shear similar to the solar tachocline. Similarly, enhanced super-adiabaticity at the top results in a near-surface shear layer located mainly at lower latitudes. The models reveal a latitudinal entropy gradient localized at the base of the convection zone and in the stable region, which, however, does not propagate across the convection zone. In consequence, baroclinicity effects remain small, and the rotation isocontours align in cylinders along the rotation axis. Our results confirm the alignment of large convective cells along the rotation axis in the deep convection zone and suggest that such 'banana-cell' pattern can be hidden beneath the supergranulation layer.

  11. Rotational stabilization of q < 1 modes

    Energy Technology Data Exchange (ETDEWEB)

    Waelbroeck, F.L.; Aydemir, A.Y. [Univ. of Texas, Austin, TX (United States)

    1996-12-31

    Analyses of high performance discharges with central safety factor below unity have shown that the ideal Magnetohydrodynamic stability threshold for the n=1 kink mode is often violated with impunity. For TFTR (Tokamak Fusion Test Reactor) supershots, the experimental observations can be explained by diamagnetic stabilization of the reconnecting model provided that the fluid free energy is suitably reduced by trapped particle effects. For the broader profiles typical of other high confinement regimes, however, diamagnetic effects cannot account for the experimental results. Furthermore, there is evidence that the Mercier stability condition can also be violated in some cases. Here, we show that toroidal rotation of the plasma can stabilize the kink mode even in the presence of resistivity in configurations that would otherwise be ideally unstable. Two effects can be distinguished. The first effect consists in a reduction of the ideal driving energy. This can be understood in view of the fact that, to a good approximation, the internal kink is a rigid body displacement combining a tilt of the plasma inside the q = 1 surface with a translation along the tilt axis. In the presence of rotation, this displacement must be accompanied by a precessional motion so as to conserve angular momentum. The kinetic energy of the precessional motion must be extracted from the energy driving the displacement. The second effect of rotation is to resolve the Alfven singularity. This is a consequence of the pressure perturbation caused by the equilibrium variation of the entropy within the flux surfaces. It results in the stabilization of resistive as well as weak ideal instabilities, including Mercier modes. For rotationally stabilized equilibria, it also implies the presence of a neutrally stable mode with frequency of the order of the growth rate of the internal kink.

  12. Noncontact depth-resolved micro-scale corneal elastography

    Science.gov (United States)

    Wang, Shang; Larin, Kirill V.

    2015-03-01

    Noninvasive high-resolution depth-resolved measurement of corneal biomechanics is of great clinical significance for improving the diagnosis and optimizing the treatment of various degenerated ocular diseases. Here, we report a micro-scale optical coherence elastography (OCE) method that enables noncontact assessment of the depthwise elasticity distribution in the cornea. The OCE system combines a focused air-puff device with phase-sensitive optical coherence tomography (OCT). Low-pressure short-duration air stream is used to load the cornea with the localized displacement at micron level. The phase-resolved OCT detection with nano-scale sensitivity probes the induced corneal deformation at various locations within a scanning line, providing the ultra-fast imaging of the corneal lamb wave propagation. With spectral analysis, the amplitude spectra and the phase spectra are available for the estimation of the frequency range of the lamb wave and the quantification of the wave propagation, respectively. Curved propagation paths following the top and bottom corneal boundaries are selected inside the cornea for measuring the phase velocity of the lamb wave at the major frequency components over the whole depths. Our pilot experiments on ex vivo rabbit eyes indicate the distinct stiffness of different layers in the cornea, including the epithelium, the anterior stroma, the posterior stroma, and the innermost region, which demonstrates the feasibility of this micro-scale OCE method for noncontact depth-resolved corneal elastography. Also, the quantification of the lamb wave dispersion in the cornea could lead to the measurement of the elastic modulus, suggesting the potential of this method for quantitative monitoring of the corneal biomechanics.

  13. THE FAR-INFRARED ROTATIONAL SPECTRUM OF ETHYLENE OXIDE

    Energy Technology Data Exchange (ETDEWEB)

    Medcraft, Chris; Thompson, Christopher D.; McNaughton, Don [School of Chemistry, Monash University, Wellington Road, Clayton, Victoria 3800 (Australia); Robertson, Evan G. [Department of Chemistry, La Trobe Institute of Molecular Sciences, La Trobe University, Bundoora, Victoria 3086 (Australia); Appadoo, Dominique R. T., E-mail: donald.mcnaughton@monash.edu [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia)

    2012-07-01

    High-resolution FTIR spectra of ethylene oxide have been measured in the far-infrared region using synchrotron radiation. A total of 1182 lines between 15 and 73 cm{sup -1} were assigned, with J{sub max} = 64, expanding upon previous studies that had recorded spectra up to 12 cm{sup -1}, J{sub max} = 49. All available data were co-fitted to provide greatly imp- roved rotational constants for the ground vibrational state that are capable of predicting transitions up to 73 cm{sup -1}.

  14. Light scattering study of Salol: Exploring the effect of rotation-translation coupling

    Science.gov (United States)

    Zhang, Hepeng

    Extensive light scattering experiments, including Brillouin, Raman and photon correlation spectroscopies, have been done to study the rotational and translational dynamics and their coupling in a glassforming liquid of anisotropic molecules, Salol. Pick-Franosch theory was used to fit the full set of data. VH backscattering spectra were first fit with a hybrid function. This part of the analysis, together with photon correlation data, fixed all the parameters characterizing the pure rotational dynamics. The obtained rotational relaxation times agree with the results of dielectric and other experiments in the literature. In VH 90° fitting, the Pick-Franosch theory can produce excellent fits to all 23 spectra from 380 K to 210 K. At temperatures from 380 K to 310 K, the static shear viscosity values obtained from the fits agree with published theological results. From 280 K to 210 K, the relaxation time for shear viscosity was found to be proportional to, and 15 times smaller than, the rotational relaxation time. The stretching coefficient beta for shear viscosity is smaller than that for rotational relaxation and the strength of rotation-translation coupling increases with decreasing temperature. The difference spectra between VV 90° and VH backscattering spectra were analyzed last with the help of parameters obtained from both VH backscattering and VH90° fittings. The difference spectrum shows negative region-VV dip-at high temperatures and low frequencies. The difference spectra were first analyzed by a density-fluctuation-only model, which neglects the rotation-translation coupling. It can fit difference spectra well except where VV dip is. However, the Pick-Franosch theory, which includes rotation-translation coupling, can fit all the difference spectra including the VV dips. Thus we conclude that the VV dip is a consequence of rotation-translation coupling and related to---but less apparent than---the Rytov dip in the VH 90° spectra. The bulk viscosity was

  15. Rotator Cuff Injuries - Multiple Languages

    Science.gov (United States)

    ... Are Here: Home → Multiple Languages → All Health Topics → Rotator Cuff Injuries URL of this page: https://medlineplus.gov/ ... V W XYZ List of All Topics All Rotator Cuff Injuries - Multiple Languages To use the sharing features ...

  16. Speed Rotating Components

    Directory of Open Access Journals (Sweden)

    S. Wittig

    1998-01-01

    Full Text Available Cooling of high speed rotating components is a typical situation found in turbomachinery as well as in automobile engines. Accurate knowledge of discharge coefficients and heat transfer of related components is essential for the high performance of the whole engine. This can be achieved by minimized cooling air flows and avoidance of hot spots. In high speed rotating clutches for example aerodynamic investigations improving heat transfer have not been considered in the past. Advanced concepts of modern plate design try to reduce thermal loads by convective cooling methods. Therefore, secondary cooling air flows have to be enhanced by an appropriate design of the rotor stator system with orifices. CFD modelling is used to improve the basic understanding of the flow field in typical geometries used in these systems.

  17. The Spatiale Rotator

    DEFF Research Database (Denmark)

    Rasmusson, Allan

    2009-01-01

    is obeyed by randomizing the orientation of the virtual probe itself within the thick section. Overall, the benefit is that positional information is kept for any block and section of the specimen. As the Spatial Rotator is a 3D probe, data must be gathered from sections thicker than 25 micro meters to form......The inherent demand for unbiasedness for some stereological estimators imposes a demand of not only positional uniform randomness but also isotropic randomness, i.e. directional uniform randomness. In order to comply with isotropy, one must perform a random rotation of the object of interest before...... it is embedded and sectioned. This has the unfortunate side effect that all information about positioning within the object is lost for blocks and sections. For complex tissue, like the mammalian brain, this information is of utmost importance to ensure measurements are performed in the correct region...

  18. Earth rotation and geodynamics

    Science.gov (United States)

    Bogusz, Janusz; Brzezinski, Aleksander; Kosek, Wieslaw; Nastula, Jolanta

    2015-12-01

    This paper presents the summary of research activities carried out in Poland in 2011-2014 in the field of Earth rotation and geodynamics by several Polish research institutions. It contains a summary of works on Earth rotation, including evaluation and prediction of its parameters and analysis of the related excitation data as well as research on associated geodynamic phenomena such as geocentre motion, global sea level change and hydrological processes. The second part of the paper deals with monitoring of geodynamic phenomena. It contains analysis of geodynamic networks of local, and regional scale using space (GNSS and SLR) techniques, Earth tides monitoring with gravimeters and water-tube hydrostatic clinometer, and the determination of secular variation of the Earth' magnetic field.

  19. A Translational Polarization Rotator

    CERN Document Server

    Chuss, David T; Pisano, Giampaolo; Ackiss, Sheridan; U-Yen, Kongpop; Ng, Ming wah

    2012-01-01

    We explore a free-space polarization modulator in which a variable phase introduction between right- and left-handed circular polarization components is used to rotate the linear polarization of the outgoing beam relative to that of the incoming beam. In this device, the polarization states are separated by a circular polarizer that consists of a quarter-wave plate in combination with a wire grid. A movable mirror is positioned behind and parallel to the circular polarizer. As the polarizer-mirror distance is separated, an incident linear polarization will be rotated through an angle that is proportional to the introduced phase delay. We demonstrate a prototype device that modulates Stokes Q and U over a 20% bandwidth.

  20. The Thomas rotation

    CERN Document Server

    Costella, J P; Rawlinson, A A; Costella, John P.; Kellar, Bruce H. J. Mc; Rawlinson, Andrew A.

    2001-01-01

    We review why the Thomas rotation is a crucial facet of special relativity, that is just as fundamental, and just as "unintuitive" and "paradoxical", as such traditional effects as length contraction, time dilation, and the ambiguity of simultaneity. We show how this phenomenon can be quite naturally introduced and investigated in the context of a typical introductory course on special relativity, in a way that is appropriate for, and completely accessible to, undergraduate students. We also demonstrate, in a more advanced section aimed at the graduate student studying the Dirac equation and relativistic quantum field theory, that careful consideration of the Thomas rotation will become vital as modern experiments in particle physics continue to move from unpolarized to polarized cross-sections.