Vibration-rotation band intensities in the IR spectra of polyatomic molecules

International Nuclear Information System (INIS)

El'kin, M.D.; Kosterina, E.K.; Berezin

1995-01-01

Using the curvilinear vibrational coordinates for a nuclear subsystem, expressions for the effective dipole-moment operators are derived in order to analyze the vibrational-rotational transitions in the IR spectra of polyatomic rigid molecules. The explicit expressions obtained for the intensities of hot bands allow one to estimate the influence of the vibration-rotation interaction within the framework of the adopted molecular-vibration model. The suggested method is shown to be suitable for Raman spectra analysis. 12 refs

Rotationally resolved pulsed-field ionization photoelectron bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) in the energy range of 17.0-18.2 eV

Energy Technology Data Exchange (ETDEWEB)

Song, Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Evans, M. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Ng, C. Y. [Ames Laboratory, U.S. Department of Energy and Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States); Hsu, C.-W. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Jarvis, G. K. [Chemical Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2000-01-15

We have obtained rotationally resolved pulsed-field ionization photoelectron (PFI-PE) spectra for O{sub 2} in the energy range of 17.05-18.13 eV, covering the ionization transitions O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12,N{sup +})(<-)O{sub 2}(X {sup 3}{sigma}{sub g}{sup -},v{sup ''}=0,N{sup ''}). Although these O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}) PFI-PE bands have significant overlaps with vibrational bands for O{sub 2}{sup +}(a {sup 4}{pi}{sub u}) and O{sub 2}{sup +}(X {sup 2}{pi}{sub g}), we have identified all the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12) bands by simulation of spectra obtained using supersonically cooled O{sub 2} samples with rotational temperatures {approx_equal}20 and 220 K. While these v{sup +}=0-12 PFI-PE bands represent the first rotationally resolved photoelectron data for O{sub 2}{sup +}(A {sup 2}{pi}{sub u}), the PFI-PE bands for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) are the first rotationally resolved spectroscopic data for these levels. The simulation also allows the determination of accurate ionization energies, vibrational constants, and rotational constants for O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=0-12). The analysis of the PFI-PE spectra supports the conclusion of the previous emission study that the O{sub 2}{sup +}(A {sup 2}{pi}{sub u},v{sup +}=9 and 10) states are strongly perturbed by a nearby electronic state. (c) 2000 American Institute of Physics.

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.

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.

Detection of shielded radionuclides from weak and poorly resolved spectra using group positive RIVAL

International Nuclear Information System (INIS)

Kump, Paul; Bai, Er-Wei; Chan, Kung-Sik; Eichinger, William

2013-01-01

This paper is concerned with the identification of nuclides from weak and poorly resolved spectra in the presence of unknown radiation shielding materials such as carbon, water, concrete and lead. Since a shield will attenuate lower energies more so than higher ones, isotope sub-spectra must be introduced into models and into detection algorithms. We propose a new algorithm for detection, called group positive RIVAL, that encourages the selection of groups of sub-spectra rather than the selection of individual sub-spectra that may be from the same parent isotope. Indeed, the proposed algorithm incorporates group positive LASSO, and, as such, we supply the consistency results of group positive LASSO and adaptive group positive LASSO. In an example employing various shielding materials and material thicknesses, group positive RIVAL is shown to perform well in all scenarios with the exception of ones in which the shielding material is lead. - Highlights: ► Identification of nuclides from weak and poorly resolved spectra. ► Shielding materials such as carbon, water, concrete, and lead are considered. ► Isotope spectra are decomposed into their sub-spectra. ► A variable selection algorithm is proposed that encourages group selection. ► Simulations demonstrate the proposed method's performance when nuclides have been shielded

Rotationally resolved colors of the targets of NASA's Lucy mission

Science.gov (United States)

Emery, Joshua; Mottola, Stefano; Brown, Mike; Noll, Keith; Binzel, Richard

2018-05-01

We propose rotationally resolved photometry at 3.6 and 4.5 um of 5 Trojan asteroids and one Main Belt asteroid - the targets of NASA's Lucy mission. The proposed Spitzer observations are designed to meet a combination of science goals and mission support objectives. Science goals 1) Search for signatures of volatiles and/or organics on the surfaces. a. This goal includes resolving a discrepancy between previous WISE and Spitzer measurements of Trojans 2) Provide new constraints on the cause of rotational spectral heterogeneity detected on 3548 Eurybates at shorter wavelengths a. Determine whether the heterogeneity (Fig 1) extends to the 3-5 um region 3) Assess the possibility for spectral heterogeneity on the other targets a. This goal will help test the hypothesis of Wong and Brown (2015) that the near-surface interiors of Trojans differ from their surfaces 4) Thermal data at 4.5 um for the Main Belt target Donaldjohanson will refine estimates of size, albedo, and provide the first estimate of thermal inertia Mission support objectives 1) Assess scientifically optimal encounter times (viewing geometries) for the fly-bys a. Characterizing rotational spectral units now will enable the team to choose the most scientifically valuable part of the asteroid to view 2) Gather data to optimize observing parameters for Lucy instruments a. Measuring brightness in the 3 - 5 um region and resolving the discrepancy between WISE and Spitzer will enable better planning of the Lucy spectral observations in this wavelength range 3) The size, albedo, and thermal inertia of Donaldjohanson are fundamental data for planning the encounter with that Main Belt asteroid

A new relation of parameters of Bohr-Mottelson rotational spectra formula

International Nuclear Information System (INIS)

Li Mingliang; Xu Fuxin

2003-01-01

With the first three terms of Harris formula included and Mottelson's method followed, a new relation of the parameters of Bohr-Mottelson rotational spectra formula is brought forward. Superdeformed bands of even-even nuclei and normal deformed bands of nuclei in actinide and rare-earth are fitted with four-parameter Bohr-Mottelson rotational spectra formula. The relations of the parameters A, B, C, D are studied. The result show, for normal deformed bands, the new relation approach the experiment value in the same degree as the relation deduced from ab formula, but for superdeformed bands, the new relation is closer to the experiment than the relation deduced from ab formula. Three-parameter Harris formula may have better convergence than two-parameter Harris formula

Time resolved EUV spectra from Zpinching capillary discharge plasma

Science.gov (United States)

Jancarek, Alexandr; Nevrkla, Michal; Nawaz, Fahad

2015-09-01

We developed symmetrically charged driver to obtain high voltage, high current Z-pinching capillary discharge. Plasma is created by up to 70 kA, 29 ns risetime current pulse passing through a 5 mm inner diameter, 224 mm long capillary filled with gas to initial pressure in the range of 1 kPa. Due to the low inductance design of the driver, the pinch is observable directly from the measured current curve. Time-integrated and time-resolved spectra of discharge plasma radiation are recorded together with the capillary current and analyzed. The most encouraging spectra were captured in the wavelength range 8.3 ÷ 14 nm. This spectral region contains nitrogen Balmer series lines including potentially lasing NVII 2 - 3 transition. Spectral lines are identified in the NIST database using the FLY kinetic code. The line of 13.38 nm wavelength, transition NVII 2 - 3, was observed in gated, and also in time-integrated spectra for currents >60 kA. This work has been supported by the Ministry of Education, Youth and Sports of the Czech Republic grants LG13029.

Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile

Energy Technology Data Exchange (ETDEWEB)

Kolesniková, L.; Alonso, E. R.; Mata, S.; Alonso, J. L. [Grupo de Espectroscopia Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopia y Bioespectroscopia, Parque Científico UVa, Unidad Asociada CSIC, Universidad de Valladolid, E-47011 Valladolid (Spain)

2017-04-01

We report a detailed spectroscopic investigation of the interstellar aminoacetonitrile, a possible precursor molecule of glycine. Using a combination of Stark and frequency-modulation microwave and millimeter wave spectroscopies, we observed and analyzed the room-temperature rotational spectra of 29 excited states with energies up to 1000 cm{sup −1}. We also observed the {sup 13}C isotopologues in the ground vibrational state in natural abundance (1.1%). The extensive data set of more than 2000 new rotational transitions will support further identifications of aminoacetonitrile in the interstellar medium.

Vibrationally resolved photoelectron spectra of lower diamondoids: A time-dependent approach

Science.gov (United States)

Xiong, Tao; Włodarczyk, Radosław; Gallandi, Lukas; Körzdörfer, Thomas; Saalfrank, Peter

2018-01-01

Vibrationally resolved lowest-energy bands of the photoelectron spectra (PES) of adamantane, diamantane, and urotropine were simulated by a time-dependent correlation function approach within the harmonic approximation. Geometries and normal modes for neutral and cationic molecules were obtained from B3LYP hybrid density functional theory (DFT). It is shown that the simulated spectra reproduce the experimentally observed vibrational finestructure (or its absence) quite well. Origins of the finestructure are discussed and related to recurrences of autocorrelation functions and dominant vibrations. Remaining quantitative and qualitative errors of the DFT-derived PES spectra refer to (i) an overall redshift by ˜0.5 eV and (ii) the absence of satellites in the high-energy region of the spectra. The former error is shown to be due to the neglect of many-body corrections to ordinary Kohn-Sham methods, while the latter has been argued to be due to electron-nuclear couplings beyond the Born-Oppenheimer approximation [Gali et al., Nat. Commun. 7, 11327 (2016)].

Experimental investigation of rotation resistance moment energy spectra in multicylindrical circular Couette system with independently rotating cylinders

Directory of Open Access Journals (Sweden)

Serov Anatoly

2017-01-01

Full Text Available The torque of the rotational resistance in the Ku-Etta multi-cylinder system rotating in the direction towards each other is measured. The experiments were carried out for three values of the kinematic viscosity of the working fluid that fills the multicylinder system: water at a temperature of 24 °C (viscosity 0.9 cSt, an aqueous solution of glycerol at 20 °C and 41 °C (2.5 cSt and 5.2 cSt. An attempt is made to investigate the features of a viscous flow in the multicolor Couette flow system from the analysis of the energy spectra of the moment of resistance to rotation of cylinders.

Rotationally resolved state-to-state photoionization and the photoelectron study of vanadium monocarbide and its cations (VC/VC(+)).

Science.gov (United States)

Chang, Yih Chung; Luo, Zhihong; Pan, Yi; Zhang, Zheng; Song, Ying-Nan; Kuang, Sophie Yajin; Yin, Qing Zhu; Lau, Kai-Chung; Ng, C Y

2015-04-21

By employing two-color visible (VIS)-ultraviolet (UV) laser photoionization and pulsed field ionization-photoelectron (PFI-PE) techniques, we have obtained highly rotationally resolved photoelectron spectra for vanadium monocarbide cations (VC(+)). The state-to-state VIS-UV-PFI-PE spectra thus obtained allow unambiguous assignments for the photoionization rotational transitions, resulting in a highly precise value for the adiabatic ionization energy (IE) of vanadium monocarbide (VC), IE(VC) = 57512.0 ± 0.8 cm(-1) (7.13058 ± 0.00010 eV), which is defined as the energy of the VC(+)(X(3)Δ1; v(+) = 0; J(+) = 1) ← VC(X(2)Δ3/2; v'' = 0; J'' = 3/2) photoionization transition. The spectroscopic constants for VC(+)(X(3)Δ1) determined in the present study include the harmonic vibrational frequency ωe(+) = 896.4 ± 0.8 cm(-1), the anharmonicity constant ωe(+)xe(+) = 5.7 ± 0.8 cm(-1), the rotational constants Be(+) = 0.6338 ± 0.0025 cm(-1) and αe(+) = 0.0033 ± 0.0007 cm(-1), the equilibrium bond length re(+) = 1.6549 ± 0.0003 Å, and the spin-orbit coupling constant A = 75.2 ± 0.8 cm(-1) for VC(+)(X(3)Δ1,2,3). These highly precise energetic and spectroscopic data are used to benchmark state-of-the-art CCSDTQ/CBS calculations. In general, good agreement is found between the theoretical predictions and experimental results. The theoretical calculations yield the values, IE(VC) = 7.126 eV; the 0 K bond dissociation energies: D0(V-C) = 4.023 eV and D0(V(+)-C) = 3.663 eV; and heats of formation: ΔH°(f0)(VC) = 835.2, ΔH°(f298)(VC) = 840.4, ΔH°(f0)(VC(+)) = 1522.8, and ΔH°(f298)(VC(+)) = 1528.0 kJ mol(-1).

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.

Research on convergence of nuclear rotational spectra formula

International Nuclear Information System (INIS)

Chen Yongjing; Xu Fuxin

2001-01-01

The superdeformed 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 does not 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

Magnetic rotation spectra of Co/Pt and Co/Cu multilayers in 50-90 eV region

International Nuclear Information System (INIS)

Saito, K.; Igeta, M.; Ejima, T.; Hatano, T.; Arai, A.; Watanabe, M.

2005-01-01

Faraday rotation spectra of Co/Pt multilayers were obtained in the region including Co M 2,3 and Pt N 6,7 absorption edges by using multilayer polarizers, and were transformed to magnetic circular dichroism (MCD) spectra by Kramers-Kronig analysis (KKA). From the dependence of the rotation angle on the layer thickness, it was suggested that the magnetization of Co tends to be uniform in Co layers and that of Pt is localized at Co/Pt interfaces. The orbital magnetic moment of Co was estimated to be about 0.17 μ B /Co. The similarity of electronic states around magnetized Pt site between Co/Pt multilayers and CoPt 3 alloy is suggested by the resemblance of the MCD spectra of both materials around Pt N 6,7 edges. In addition, magnetic Kerr rotation of Co/Cu multilayer was measured and was observed around Co M 2,3 and Cu M 2,3 absorption edges

Fine-structure resolved rotational transitions and database for CN+H2 collisions

Science.gov (United States)

Burton, Hannah; Mysliwiec, Ryan; Forrey, Robert C.; Yang, B. H.; Stancil, P. C.; Balakrishnan, N.

2018-06-01

Cross sections and rate coefficients for CN+H2 collisions are calculated using the coupled states (CS) approximation. The calculations are benchmarked against more accurate close-coupling (CC) calculations for transitions between low-lying rotational states. Comparisons are made between the two formulations for collision energies greater than 10 cm-1. The CS approximation is used to construct a database which includes highly excited rotational states that are beyond the practical limitations of the CC method. The database includes fine-structure resolved rotational quenching transitions for v = 0 and j ≤ 40, where v and j are the vibrational and rotational quantum numbers of the initial state of the CN molecule. Rate coefficients are computed for both para-H2 and ortho-H2 colliders. The results are shown to be in good agreement with previous calculations, however, the rates are substantially different from mass-scaled CN+He rates that are often used in astrophysical models.

Assessment of electron propagator methods for the simulation of vibrationally-resolved valence and core photoionization spectra

Science.gov (United States)

Baiardi, A.; Paoloni, L.; Barone, V.; Zakrzewski, V.G.; Ortiz, J.V.

2017-01-01

The analysis of photoelectron spectra is usually facilitated by quantum mechanical simulations. Due to the recent improvement of experimental techniques, the resolution of experimental spectra is rapidly increasing, and the inclusion of vibrational effects is usually mandatory to obtain a reliable reproduction of the spectra. With the aim of defining a robust computational protocol, a general time-independent formulation to compute different kinds of vibrationally-resolved electronic spectra has been generalized to support also photoelectron spectroscopy. The electronic structure data underlying the simulation are computed using different electron propagator approaches. In addition to the more standard approaches, a new and robust implementation of the second-order self-energy approximation of the electron propagator based on a transition operator reference (TOEP2) is presented. To validate our implementation, a series of molecules has been used as test cases. The result of the simulations shows that, for ultraviolet photoionization spectra, the more accurate non-diagonal approaches are needed to obtain a reliable reproduction of vertical ionization energies, but diagonal approaches are sufficient for energy gradients and pole strengths. For X-ray photoelectron spectroscopy, the TOEP2 approach, besides being more efficient, is also the most accurate in the reproduction of both vertical ionization energies and vibrationally-resolved bandshapes. PMID:28521087

Time-resolved soft x-ray spectra from laser-produced Cu plasma

International Nuclear Information System (INIS)

Cone, K.V.; Dunn, J.; Baldis, H.A.; May, M.J.; Purvis, M.A.; Scott, H.A.; Schneider, M.B.

2012-01-01

The volumetric heating of a thin copper target has been studied with time resolved x-ray spectroscopy. The copper target was heated from a plasma produced using the Lawrence Livermore National Laboratory's Compact Multipulse Terrawatt (COMET) laser. A variable spaced grating spectrometer coupled to an x-ray streak camera measured soft x-ray emission (800-1550 eV) from the back of the copper target to characterize the bulk heating of the target. Radiation hydrodynamic simulations were modeled in 2-dimensions using the HYDRA code. The target conditions calculated by HYDRA were post-processed with the atomic kinetics code CRETIN to generate synthetic emission spectra. A comparison between the experimental and simulated spectra indicates the presence of specific ionization states of copper and the corresponding electron temperatures and ion densities throughout the laser-heated copper target.

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)

Model-independent separation of poorly resolved hypperfine split spectra by a linear combination method

International Nuclear Information System (INIS)

Nagy, D.L.; Dengler, J.; Ritter, G.

1988-01-01

A model-independent evaluation of the components of poorly resolved Moessbauer spectra based on a linear combination method is possible if there is a parameter as a function of which the shape of the individual components do not but their intensities do change and the dependence of the intensities on this parameter is known. The efficiency of the method is demonstrated on the example of low temperature magnetically split spectra of the high-T c superconductor YBa 2 (Cu 0.9 Fe 0 .1 ) 3 O 7-y . (author)

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.

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.

Ultrafast time-resolved faraday rotation in EuO thin films.

Science.gov (United States)

Liu, F; Makino, T; Yamasaki, T; Ueno, K; Tsukazaki, A; Fukumura, T; Kong, Y; Kawasaki, M

2012-06-22

We have investigated the ultrafast spin dynamics in EuO thin films by time-resolved Faraday rotation spectroscopy. The photoinduced magnetization is found to be increased in a transient manner, accompanied with subsequent demagnetization. The dynamical magnetization enhancement showed a maximum slightly below the Curie temperature with prolonged tails toward both lower and higher temperatures and dominates the demagnetization counterpart at 55 K. The magnetization enhancement component decays in ~1 ns. The realization of the transient collective ordering is attributable to the enhancement of the f-d exchange interaction.

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.

The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations

Science.gov (United States)

Defrees, D. J.; Loew, G. H.; Mclean, A. D.

1982-01-01

Ab initio molecular orbital theory has been used to determine the equilibrium geometries, rotational constants, and rotational spectra of four isoelectronic molecules. Two of these, HOCO(plus) and HOCN, are candidate interstellar molecules. The other two, HNCO and HN3, have known rotational constants. Theoretical rotational constants and spectra for the two unknown species were corrected with the mean experimental to theoretical ratios from the two known species. This procedure resulted in predicted frequencies of 83.75 plus or minus 0.2 GHz for the 4(04) to 3(03) transition in HOCN and 85.08 plus or minus 0.2 GHz for the same transition in HOCO(plus). These are the central lines of triplets whose other members are the 4(14) to 3(13) and 4(13) to 3(12) transitions. The triplet splittings were predicted to be 0.36 plus or minus 0.01 GHz for HOCN and 0.33 plus or minus 0.01 GHz for HOCO(plus). These results indicate that HOCO(plus) is a better candidate for the source of a series of lines reported by Thaddeus, Guelin, and Linke than is HOCN.

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

Science.gov (United States)

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

2016-09-01

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

An iterative method for unfolding time-resolved soft x-ray spectra of laser plasmas

International Nuclear Information System (INIS)

Tang Yongjian; Shen Kexi; Xu Hepin

1991-01-01

Dante-recorded temporal waveforms have been unfolded by using Fast Fourier transformation (FFT) and the inverted convolution theorem of Fourier analysis. The conversion of the signals to time-dependent soft x-ray spectra is accomplished on the IBM-PC/XT-286 microcomputer system with the code DTSP including SAND II reported by W.N.Mcelory et al.. An amplitude-limited iterative and periodic smoothing technique has been developed in the code DTSP. Time-resolved soft x-ray spectra with sixteen time-cell, and time-dependent radiation, [T R (t)], have been obtained for hohlraum targets irradiated with laser beams (λ = 1.06 μm) on LF-12 in 1989

Time-resolved x-ray spectra of laser irradiated high-Z targets

International Nuclear Information System (INIS)

Lee, P.H.Y.; Attwood, D.T.; Boyle, M.J.; Campbell, E.M.; Coleman, L.C.; Kornblum, H.N.

1977-01-01

Recent results obtained by using the Livermore 15 psec x-ray streak camera to record x-ray emission from laser-irradiated high-z targets in the 1-20 keV range are reported. Nine to eleven K-edge filter channels were used for the measurements. In the lower energy channels, a dynamic range of x-ray emission intensity of better than three orders of magnitude have been recorded. Data will be presented which describe temporally and spectrally resolved x-ray spectra of gold disk targets irradiated by laser pulses from the Argus facility, including the temporal evolution of the superthermal x-ray tail

Life-time resolved emission spectra in CdI2 crystals

International Nuclear Information System (INIS)

Kawabata, Seiji; Nakagawa, Hideyuki

2007-01-01

The emission spectrum of CdI 2 is composed of ultraviolet (UV), green (G) and yellow (Y and Y') bands peaking at 3.38, 2.50, 2.16 and 2.25 eV, respectively. In order to determine the initial states of the Y- and G-luminescence, decay curves have been measured at 6 and 80 K by varying emission energy. The observed decay curves are composed of two or three exponential components. These decay components were named τ 1 , τ 2 , τ 3 , τ 3' and τ 4 . The emission spectrum for each decay component, i.e., the life-time resolved emission spectrum, was constructed from the observed decay curves. At 6 K, three bands at 2.12, 2.49 and 2.64 eV are obtained for τ 1 , τ 2 and τ 3 components, respectively. At 80 K, a dominant band for the τ 4 component and a weak band for the τ 3' component appear on the same energy position at 2.25 eV. The origin of each emission band in the life-time resolved emission spectra will be briefly discussed

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

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

International Nuclear Information System (INIS)

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

2014-01-01

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( 3 Π 1 ) ← 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 B 0 ″ = 0.6112(10) cm −1 and r 0 ″ = 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 (D 0 ) of TiC + (X 2 Σ + ) and that of TiC(X 3 Σ + ) to be D 0 (Ti + −C) − D 0 (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 Π 1 ; v′, J′), reveals a strong decreasing trend for the photoionization cross

Asymptotic behaviour of optimal fraction-rational series of the perturbation theory at description of molecular rotational spectra

International Nuclear Information System (INIS)

Burenin, A.V.

1994-01-01

A possibility is shown of substantial expansion of the choice of asymptotic behaviour of optimal fraction-rational series of the perturbation theory on description of molecular rotational spectra. The expansion permits to hope for substantial improvement of results of using the conception of effective rotational hamiltonian in a fraction-rational form on the description of highly perturbed vibrational states

Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

Science.gov (United States)

Garner, Scott M.; Miller, Terry A.

2017-06-01

The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

Probing HeII Reionization at z>3.5 with Resolved HeII Lyman Alpha Forest Spectra

Science.gov (United States)

Worseck, Gabor

2017-08-01

The advent of GALEX and COS have revolutionized our view of HeII reionization, the final major phase transition of the intergalactic medium. COS spectra of the HeII Lyman alpha forest have confirmed with high confidence the high HeII transmission that signifies the completion of HeII reionization at z 2.7. However, the handful of z>3.5 quasars observed to date show a set of HeII transmission 'spikes' and larger regions with non-zero transmission that suggest HeII reionization was well underway by z=4. This is in striking conflict with predictions from state-of-the-art radiative transfer simulations of a HeII reionization driven by bright quasars. Explaining these measurements may require either faint quasars or more exotic sources of hard photons at z>4, with concomitant implications for HI reionization. However, many of the observed spikes are unresolved in G140L spectra and are significantly impacted by Poisson noise. Current data cannot reliably probe the ionization state of helium at z>3.5.We request 41 orbits to obtain science-grade G130M spectra of the two UV-brightest HeII-transmitting QSOs at z>3.5 to confirm and resolve their HeII transmission spikes as an unequivocal test of early HeII reionization. These spectra are complemented by recently obtained data from 8m telescopes: (1) Echelle spectra of the coeval HI Lya forest to map the underlying density field that modulates the HeII absorption, and (2) Our dedicated survey for foreground QSOs that may source the HeII transmission. Our recent HST programs revealed the only two viable targets to resolve the z>3.5 HeII Lyman alpha forest, and to conclusively solve this riddle.

GD 358 - the demise of rotational splitting?

International Nuclear Information System (INIS)

Hill, J.A.

1987-01-01

Observations of GD 358 were obtained at the McDonald Observatory in 1982 and 1985 in order to determine its periods, stability, and rates of period change. The period structure could not be resolved, and the results indicate that GD 358 does not fit the rotational splitting model. It is suggested that if the changes in the amplitude spectra of GD 358 are due to beating of stable modes, then the number of modes must be large. 7 references

Rotationally resolved photodetachment spectrum of OH{sup -}, exposed with velocity-map imaging

Energy Technology Data Exchange (ETDEWEB)

Gibson, S T; Cavanagh, S J; Lewis, B R, E-mail: Stephen.Gibson@anu.edu.a, E-mail: Steven.Cavanagh@anu.edu.a [Research School of Physics and Engineering, Australian National University, Canberra ACT 0200 (Australia)

2009-11-01

The photodetachment spectrum of OH{sup -} has been measured using velocity-map imaging for the detection of photoelectrons. The relative electron kinetic-energy resolution, determined to be ({Delta}E/E) = 0.5%, resolves individual rotational transitions, including R3(0) that defines the electron affinity. Previously unobserved, N-, O-, S-, T-branch transitions are also revealed. The angular anisotropy parameters in general exhibit values consistent with electron detachment from O{sup -}, {beta} {approx} -0.8, except for the S, T branches which are significantly more isotropic, with {beta} {approx} -0.4.

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.

Rotational motion in nuclei

International Nuclear Information System (INIS)

Bohr, A.

1976-01-01

Nuclear structure theories are reviewed concerned with nuclei rotational motion. The development of the deformed nucleus model facilitated a discovery of rotational spectra of nuclei. Comprehensive verification of the rotational scheme and a successful classification of corresponding spectra stimulated investigations of the rotational movement dynamics. Values of nuclear moments of inertia proved to fall between two marginal values corresponding to rotation of a solid and hydrodynamic pattern of an unrotating flow, respectively. The discovery of governing role of the deformation and a degree of a symmetry violence for determining rotational degrees of freedon is pointed out to pave the way for generalization of the rotational spectra

Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

Science.gov (United States)

Sulc, Miroslav; Hernandez, Henar; Martinez, Todd J.; Vanicek, Jiri

2014-03-01

We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that cellularization yields further acceleration [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here we focus on increasing its accuracy by first implementing an exact Gaussian basis method (GBM) combining the accuracy of quantum dynamics and efficiency of classical dynamics. The DR is then derived together with ten other methods for computing time-resolved spectra with intermediate accuracy and efficiency. These include the Gaussian DR (GDR), an exact generalization of the DR, in which trajectories are replaced by communicating frozen Gaussians evolving classically with an average Hamiltonian. The methods are tested numerically on time correlation functions and time-resolved stimulated emission spectra in the harmonic potential, pyrazine S0 /S1 model, and quartic oscillator. Both the GBM and the GDR are shown to increase the accuracy of the DR. Surprisingly, in chaotic systems the GDR can outperform the presumably more accurate GBM, in which the two bases evolve separately. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

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.

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

International Nuclear Information System (INIS)

Bai, Er-Wei; Chan, Kung-sik; Eichinger, William; Kump, Paul

2011-01-01

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.

A new automated assign and analysing method for high-resolution rotationally resolved spectra using genetic algorithms

NARCIS (Netherlands)

Meerts, W.L.; Schmitt, M.

2006-01-01

This paper describes a numerical technique that has recently been developed to automatically assign and fit high-resolution spectra. The method makes use of genetic algorithms (GA). The current algorithm is compared with previously used analysing methods. The general features of the GA and its

PHAT+MaNGA: Using resolved stellar populations to improve the recovery of star formation histories from galaxy spectra

Science.gov (United States)

Byler, Nell

2017-08-01

Stellar Population Synthesis (SPS) models are routinely used to interpret extragalactic observations at all redshifts. Currently, the dominant source of uncertainty in SPS modeling lies in the degeneracies associated with synthesizing and fitting complex stellar populations to observed galaxy spectra. To remedy this, we propose an empirical calibration of SPS models using resolved stellar population observations from Hubble Space Telescope (HST) to constrain the stellar masses, ages, and star formation histories (SFHs) in regions matched to 2D spectroscopic observations from MaNGA. We will take advantage of the state of the art observations from the Panchromatic Hubble Andromeda Treasury (PHAT), which maps the dust content, history of chemical enrichment, and history of star formation across the disk of M31 in exquisite detail. Recently, we have coupled these observations with an unprecedented, spatially-resolved suite of IFU observations from MaNGA. With these two comprehensive data sets we can use the true underlying stellar properties from PHAT to properly interpret the aperture-matched integrated spectra from MaNGA. Our MaNGA observations target 20 regions within the PHAT footprint that fully sample the available range in metallicity, SFR, dust content, and stellar density. This transformative dataset will establish a comprehensive link between resolved stellar populations and the inferred properties of unresolved stellar populations across astrophysically important environments. The net data product will be a library of galaxy spectra matched to the true underlying stellar properties, a comparison set that has lasting legacy value for the extragalactic community.

Spatial-Resolved Measurement and Analysis of Extreme-Ultraviolet Emission Spectra from Laser-Produced Al Plasmas

International Nuclear Information System (INIS)

Cao Shi-Quan; Su Mao-Gen; Sun Dui-Xiong; Min Qi; Dong Chen-Zhong

2016-01-01

Extreme ultraviolet emission from laser-produced Al plasma is experimentally and theoretically investigated. Spatial-evolution emission spectra are measured by using the spatio-temporally resolved laser produced plasma technique. Based on the assumptions of a normalized Boltzmann distribution among the excited states and a steady-state collisional-radiative model, we succeed in reproducing the spectra at different detection positions, which are in good agreement with experiments. The decay curves about the electron temperature and electron density, as well as the fractions of individual Al ions and average ionization stage with increasing the detection distance are obtained by comparison with the experimental measurements. These parameters are critical points for deeply understanding the expanding and cooling of laser produced plasmas in vacuum. (paper)

Pressure Monitoring Using Hybrid fs/ps Rotational CARS

Science.gov (United States)

Kearney, Sean P.; Danehy, Paul M.

2015-01-01

We investigate the feasibility of gas-phase pressure measurements at kHz-rates using fs/ps rotational CARS. Femtosecond pump and Stokes pulses impulsively prepare a rotational Raman coherence, which is then probed by a high-energy 6-ps pulse introduced at a time delay from the Raman preparation. Rotational CARS spectra were recorded in N2 contained in a room-temperature gas cell for pressures from 0.1 to 3 atm and probe delays ranging from 10-330 ps. Using published self-broadened collisional linewidth data for N2, both the spectrally integrated coherence decay rate and the spectrally resolved decay were investigated as means for detecting pressure. Shot-averaged and single-laser-shot spectra were interrogated for pressure and the accuracy and precision as a function of probe delay and cell pressure are discussed. Single-shot measurement accuracies were within 0.1 to 6.5% when compared to a transducer values, while the precision was generally between 1% and 6% of measured pressure for probe delays of 200 ps or more, and better than 2% as the delay approached 300 ps. A byproduct of the pressure measurement is an independent but simultaneous measurement of the gas temperature.

Life-time resolved emission spectra in CdCl2 crystals

International Nuclear Information System (INIS)

Kawabata, S.; Nakagawa, H.; Kitaura, M.

2005-01-01

The emission spectrum of CdCl 2 is composed of ultraviolet (UV) and yellow (Y) bands peaking at 3.70 and 2.30 eV, respectively. In order to determine the initial states of the Y-luminescence, decay curves of the Y-emission were measured at 8K by varying emission energy in the range from 1.64 eV to 3.13 eV. The observed decay curves are composed of two or three exponential components. The values of lifetime for them were 900, 460 and 60 μs. The emission spectrum for each decay component, i.e., life-time resolved emission spectrum, was analyzed by the observed decay curves. The emission spectrum for the component of 460 μs lifetime exhibits a dominant band at 2.30 eV and a satellite band at 3.03 eV. The emission spectrum for the component of 60 μs lifetime is reproduced by the three Gaussian bands peaking at 2.21, 2.65 and 2.87 eV. For the component of 900 μs lifetime, only a single band appears at 1.73 eV. The origin of the emission bands in life-time resolved emission spectra is briefly discussed, and the initial states of Y-luminescence are explained by the excited states of a [Cd 2+ Cl - 6 ] 4- complex molecular ion. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Numerical Simulation of the Borehole Magnetic Field for Resolving the Possible Rotation of Tectonic Basins and Plates during ICDP and IODP Experiments

Science.gov (United States)

Lee, S. M.; Parq, J. H.

2017-12-01

An accurate measurement of magnetic field inside the borehole, together with a right set of paleomagnetic measurements on the recovered core samples, should allow one to resolve important elements such as the rotation of the basin or the plate on which the basin is located. The ability to resolve the rotation of the basin can be crucial during drilling experiments by International Continental Scientific Drilling Program (ICDP) and International Ocean Discovery Program (IODP). A good example where the rotation is a central question is the Philippine Sea Plate, which is thought to have rotated about 90° clockwise during the last 55 million years. Despite the significance, previous borehole magnetometers were not accurate enough to achieve such a goal because, among various technical issues, determining the orientation of the sensor inside the borehole to a very high level of accuracy was not easy. The next-generation (third-generation) borehole magnetometer (3GBM) was developed to overcome this difficulty and to bring paleomagnetic investigations to a new level. Even with the new development, however, there are still concerns whether the new instrument can really resolve the rotation because the magnetic field anomalies generated by the sediment is generally very low. In this paper, we present numerical simulations based on finite element method of the magnetic field inside the borehole that were conducted as part of a test to demonstrate that, despite low levels of magnetization, the magnetic fields can be resolved. The results also served as an important input on the design requirements of the borehole magnetometer. Various cases were considered, including the situation where the sedimentary layer is horizontal and inclined. We also explored the cases where volcanic sills were present within the sedimentary layer as they may provide a greater magnetic signature than having sediment alone, and thus improving our chances of determining the rotation. Simulations are

The Rovibronic Spectra of the Cyclopentadienyl Radical

Science.gov (United States)

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

2017-06-01

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

Simultaneous acquisition of pure rotational and vibrational nitrogen spectra using three-laser CARS

International Nuclear Information System (INIS)

Lucht, R.P.; Maris, M.A.

1987-01-01

The author used three-laser coherent anti-Stokes Raman scattering to acquire simultaneously the pure rotational and vibrational spectra from the nitrogen molecule. The energy level schematic for the three-laser CARS process is shown in this paper. Frequency-doubled Nd:YAG laser radiation at frequency ω/sub 1/ is used to pump a broadband dye laser which lasers at a range of frequencies ω/sub s/ and a narrowband dye laser with frequency ω/sub 2/. The three-beams are focused to a common CARS probe volume using a three-dimensional phase-matching geometry. A CARS polarization is established when the frequency difference ω/sub 1/ - ω/sub s/ corresponds to a vibrational Raman resonance. The vibrational polarization scatters the incident ω/sub 2/ beam to produce anti-Stokes radiation at frequency ω/sub 1/ - ω/sub s/ + ω/sub 2/. In a similar fashion, a CARS polarization is also established when the frequency difference ω/sub 2/ - ω/sub s/ is equal to a pure rotational Raman resonance. The pure rotational polarization scatters the Nd:YAG laser radiation at ω/sub 1/ to produce anti-Stokes radiation at ω/sub 2/ - ω/sub s/ + ω/sub 1/

Effects of the application of different window functions and projection methods on processing of 1H J-resolved nuclear magnetic resonance spectra for metabolomics

International Nuclear Information System (INIS)

Tiziani, Stefano; Lodi, Alessia; Ludwig, Christian; Parsons, Helen M.; Viant, Mark R.

2008-01-01

Two dimensional (2D) homonuclear 1 H J-resolved (JRES) nuclear magnetic resonance spectroscopy is increasingly used in metabolomics. This approach visualises metabolite chemical shifts and scalar couplings along different spectral dimensions, thereby increasing peak dispersion and facilitating spectral assignments and accurate quantification. Here, we optimise the processing of 2D JRES spectra by evaluating different window functions, a traditional sine-bell (SINE) and a combined sine-bell-exponential (SEM) function. Furthermore, we evaluate different projection methods for generating 1D projected spectra (pJRES). Spectra were recorded from three disparate types of biological samples and evaluated in terms of sensitivity, reproducibility and resolution. Overall, the SEM window function yielded considerably higher sensitivity and comparable spectral reproducibility and resolution compared to SINE, for both 1D pJRES and 2D JRES datasets. Furthermore, for pJRES spectra, the highest spectral quality was obtained using SEM combined with skyline projection. These improvements lend further support to utilising 2D J-resolved spectroscopy in metabolomics

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

International Nuclear Information System (INIS)

Yan-Jun, Gong; Zhen-Sen, Wu; Jia-Ji, Wu

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

Algebraic descriptions of nuclear and molecular rotation-vibration spectra

International Nuclear Information System (INIS)

Roosmalen, O.S. van.

1982-01-01

The application of algebraic models to the description of rotational and vibrational degrees of freedom of nuclei and molecules are discussed. Simple model Hamiltonians are shown to give good agreement with the energy spectra of diatomic molecules and nuclei. Some formal aspects of path integral methods for many-boson systems are treated. The two representations for the quantum mechanical propagator are compared and appear to be identical in leading order in 1/N (N is the number of bosons). Approximations for both are static and dynamic problems are discussed. Applications of mean field techniques are also treated. A description of tri- and tetra-atomic molecules in terms of a U(4)xU(4) and U(4)xU(4)xU(4) group structure is given. Linear molecules appear to correspond with symmetries of O(4) type. S-matrix elements are calculated to test mean field methods, and the results compared with exact calculations. (Auth.)

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

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

International Nuclear Information System (INIS)

Qin, Feng; Zhao, Hua; Cai, Wei; Duan, Qianqian; Zhang, Zhiguo; Cao, Wenwu

2013-01-01

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 3+ lasers were used as examples to present the method. Upconversion dynamic process of Ho 3+ was studied utilizing a 532 nm CW laser. Quantum cutting dynamic process from Tb 3+ to Yb 3+ was analyzed by a 473 nm CW laser. This method can be applied to any CW laser such as He-Ne laser, Ar + laser, Kr + laser, Ti:sapphire laser, etc

DETERMINING REFLECTANCE SPECTRA OF SURFACES AND CLOUDS ON EXOPLANETS

Energy Technology Data Exchange (ETDEWEB)

Cowan, Nicolas B.; Strait, Talia E., E-mail: n-cowan@northwestern.edu [Center for Interdisciplinary Exploration and Research in Astrophysics (CIERA), Northwestern University, 2131 Tech Dr., IL 60208 (United States)

2013-03-01

Planned missions will spatially resolve temperate terrestrial planets from their host star. Although reflected light from such a planet encodes information about its surface, it has not been shown how to establish surface characteristics of a planet without assuming known surfaces to begin with. We present a reanalysis of disk-integrated, time-resolved, multiband photometry of Earth obtained by the Deep Impact spacecraft as part of the EPOXI Mission of Opportunity. We extract reflectance spectra of clouds, ocean, and land without a priori knowledge of the numbers or colors of these surfaces. We show that the inverse problem of extracting surface spectra from such data is a novel and extreme instance of spectral unmixing, a well-studied problem in remote sensing. Principal component analysis is used to determine an appropriate number of model surfaces with which to interpret the data. Shrink-wrapping a simplex to the color excursions of the planet yields a conservative estimate of the planet's endmember spectra. The resulting surface maps are unphysical, however, requiring negative or larger-than-unity surface coverage at certain locations. Our ''rotational unmixing'' supersedes the endmember analysis by simultaneously solving for the surface spectra and their geographical distributions on the planet, under the assumption of diffuse reflection and known viewing geometry. We use a Markov Chain Monte Carlo to determine best-fit parameters and their uncertainties. The resulting albedo spectra are similar to clouds, ocean, and land seen through a Rayleigh-scattering atmosphere. This study suggests that future direct-imaging efforts could identify and map unknown surfaces and clouds on exoplanets.

Non-Gaussian lineshapes and dynamics of time-resolved linear and nonlinear (correlation) spectra.

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Dinpajooh, Mohammadhasan; Matyushov, Dmitry V

2014-07-17

Signatures of nonlinear and non-Gaussian dynamics in time-resolved linear and nonlinear (correlation) 2D spectra are analyzed in a model considering a linear plus quadratic dependence of the spectroscopic transition frequency on a Gaussian nuclear coordinate of the thermal bath (quadratic coupling). This new model is contrasted to the commonly assumed linear dependence of the transition frequency on the medium nuclear coordinates (linear coupling). The linear coupling model predicts equality between the Stokes shift and equilibrium correlation functions of the transition frequency and time-independent spectral width. Both predictions are often violated, and we are asking here the question of whether a nonlinear solvent response and/or non-Gaussian dynamics are required to explain these observations. We find that correlation functions of spectroscopic observables calculated in the quadratic coupling model depend on the chromophore's electronic state and the spectral width gains time dependence, all in violation of the predictions of the linear coupling models. Lineshape functions of 2D spectra are derived assuming Ornstein-Uhlenbeck dynamics of the bath nuclear modes. The model predicts asymmetry of 2D correlation plots and bending of the center line. The latter is often used to extract two-point correlation functions from 2D spectra. The dynamics of the transition frequency are non-Gaussian. However, the effect of non-Gaussian dynamics is limited to the third-order (skewness) time correlation function, without affecting the time correlation functions of higher order. The theory is tested against molecular dynamics simulations of a model polar-polarizable chromophore dissolved in a force field water.

X-ray absorption spectra and emission spectra of plasmas

International Nuclear Information System (INIS)

Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

2002-01-01

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

The spectra of conical bubble sonoluminescence in 1,2-propanediol and glycol

International Nuclear Information System (INIS)

He Shoujie; Jing Ha; Li Xuechen; Li Qing; Dong Lifang; Wang, Long

2007-01-01

A conical bubble straight tube apparatus was set up to study sonoluminescence. The spectra of conical bubble sonoluminescence for 1,2-propanediol and glycol were detected. The results show that the luminescence is intense, and the spectra consist of a broad background on which five clear sequences of Swan bands and three sequences of the B 2 Σ + → X 2 Σ + transition of CN are superimposed. A band assigned to the A 2 Δ → X 2 Π transition of CH was also measured and the vibrational and rotational structures of Swan bands could be resolved. The origin of the C* 2 and C 2 H* is discussed. Finally, the achieved molecular vibrational temperature is estimated to be about 5400 ± 350 K

Rovibronically selected and resolved two-color laser photoionization and photoelectron study of cobalt carbide cation.

Science.gov (United States)

Huang, Huang; Chang, Yih Chung; Luo, Zhihong; Shi, Xiaoyu; Lam, Chow-Shing; Lau, Kai-Chung; Ng, C Y

2013-03-07

We have conducted a two-color visible-ultraviolet (VIS-UV) resonance-enhanced laser photoionization efficiency and pulsed field ionization-photoelectron (PFI-PE) study of gaseous cobalt carbide (CoC) near its ionization onset in the total energy range of 61,200-64,510 cm(-1). The cold gaseous CoC sample was prepared by a laser ablation supersonically cooled beam source. By exciting CoC molecules thus generated to single N' rotational levels of the intermediate CoC∗((2)Σ(+); v') state using a VIS dye laser prior to UV laser photoionization, we have obtained N(+) rotationally resolved PFI-PE spectra for the CoC(+)(X(1)Σ(+); v(+) = 0 and 1) ion vibrational bands free from interference by impurity species except Co atoms produced in the ablation source. The rotationally selected and resolved PFI-PE spectra have made possible unambiguous rotational assignments, yielding accurate values for the adiabatic ionization energy of CoC(X(2)Σ(+)), IE(CoC) = 62,384.3 ± 0.6 cm(-1) (7.73467 ± 0.00007 eV), the vibrational frequency ωe (+) = 985.6 ± 0.6 cm(-1), the anharmonicity constant ωe (+)χe (+) = 6.3 ± 0.6 cm(-1), the rotational constants (Be (+) = 0.7196 ± 0.0005 cm(-1), αe (+) = 0.0056 ± 0.0008 cm(-1)), and the equilibrium bond length re (+) = 1.534 Å for CoC(+)(X(1)Σ(+)). The observation of the N(+) = 0 level in the PFI-PE measurement indicates that the CoC(+) ground state is of (1)Σ(+) symmetry. Large ΔN(+) = N(+) - N' changes up to 6 are observed for the photoionization transitions CoC(+)(X(1)Σ(+); v(+) = 0-2; N(+)) ← CoC∗((2)Σ(+); v'; N' = 6, 7, 8, and 9). The highly precise energetic and spectroscopic data obtained in the present study have served as a benchmark for testing theoretical predictions based on state-of-the-art ab initio quantum calculations at the CCSDTQ∕CBS level of theory as presented in the companion article.

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

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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.

Phase transition and angular momentum dependence of correlations in the rotational spectra of Ne20 and Ne22

International Nuclear Information System (INIS)

Satpathy, L.; Schmid, K.W.; Krewald, S.; Faessler, A.

1974-01-01

Multi-Configuration-Hartree-Fock (MCHF) calculations with angular momentum projection before the variation of the internal degree of freedom have been performed for the nuclei Ne 20 and Ne 22 . This procedure yields different correlated intrinsic states for the different members of a rotational band. Thus, the angular momentum dependence of correlations has been studied. Experimentally, the ground state spectra of Ne 20 and Ne 22 show properties similar to the phase transitions observed in some rare earth nuclei which have been well reproduced through the present calculations. The calculated spectra show a significant improvement compared to the ones obtained by variation before the angular momentum projection is effected. (author)

Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n -doped anatase TiO2

Science.gov (United States)

Caruso, Fabio; Verdi, Carla; Poncé, Samuel; Giustino, Feliciano

2018-04-01

We develop a first-principles approach based on many-body perturbation theory to investigate the effects of the interaction between electrons and carrier plasmons on the electronic properties of highly doped semiconductors and oxides. Through the evaluation of the electron self-energy, we account simultaneously for electron-plasmon and electron-phonon coupling in theoretical calculations of angle-resolved photoemission spectra, electron linewidths, and relaxation times. We apply this methodology to electron-doped anatase TiO2 as an illustrative example. The simulated spectra indicate that electron-plasmon coupling in TiO2 underpins the formation of satellites at energies comparable to those of polaronic spectral features. At variance with phonons, however, the energy of plasmons and their spectral fingerprints depends strongly on the carrier concentration, revealing a complex interplay between plasmon and phonon satellites. The electron-plasmon interaction accounts for approximately 40% of the total electron-boson interaction strength, and it is key to improve the agreement with measured quasiparticle spectra.

Reconciling past changes in Earth's rotation with 20th century global sea-level rise: Resolving Munk's enigma.

Science.gov (United States)

Mitrovica, Jerry X; Hay, Carling C; Morrow, Eric; Kopp, Robert E; Dumberry, Mathieu; Stanley, Sabine

2015-12-01

In 2002, Munk defined an important enigma of 20th century global mean sea-level (GMSL) rise that has yet to be resolved. First, he listed three canonical observations related to Earth's rotation [(i) the slowing of Earth's rotation rate over the last three millennia inferred from ancient eclipse observations, and changes in the (ii) amplitude and (iii) orientation of Earth's rotation vector over the last century estimated from geodetic and astronomic measurements] and argued that they could all be fit by a model of ongoing glacial isostatic adjustment (GIA) associated with the last ice age. Second, he demonstrated that prevailing estimates of the 20th century GMSL rise (~1.5 to 2.0 mm/year), after correction for the maximum signal from ocean thermal expansion, implied mass flux from ice sheets and glaciers at a level that would grossly misfit the residual GIA-corrected observations of Earth's rotation. We demonstrate that the combination of lower estimates of the 20th century GMSL rise (up to 1990) improved modeling of the GIA process and that the correction of the eclipse record for a signal due to angular momentum exchange between the fluid outer core and the mantle reconciles all three Earth rotation observations. This resolution adds confidence to recent estimates of individual contributions to 20th century sea-level change and to projections of GMSL rise to the end of the 21st century based on them.

Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

Science.gov (United States)

Vanicek, Jiri

2014-03-01

Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

Identifiability analysis of rotational diffusion tensor and electronic transition moments measured in time-resolved fluorescence depolarization experiment

International Nuclear Information System (INIS)

Szubiakowski, Jacek P.

2014-01-01

The subject of this paper is studies of the deterministic identifiability of molecular parameters, such as rotational diffusion tensor components and orientation of electronic transition moments, resulting from the time-resolved fluorescence anisotropy experiment. In the most general case considered, a pair of perpendicularly polarized emissions enables the unique determination of all the rotational diffusion tensor's principal components. The influence of the tensor's symmetry and the associated degeneration of its eigenvalues on the identifiability of the electronic transitions moments is systematically investigated. The analysis reveals that independently of the rotational diffusion tensor's symmetry, the transition moments involved in photoselection and emission processes cannot be uniquely identified without a priori information about their mutual orientation or their orientation with respect to the principal axes of the tensor. Moreover, it is shown that increasing the symmetry of the rotational diffusion tensor deteriorates the degree of the transition moments identifiability. To obtain these results analytically, a novel approach to solve bilinear system of equations for Markov parameters is applied. The effect of the additional information, obtained from fluorescence measurements for different molecular mobilities, to improve the identifiability at various levels of analysis is shown. The effectiveness and reliability of the target analysis method for experimental determination of the molecular parameters is also discussed

Measurement and Simulation of Spontaneous Raman Scattering Spectra in High-Pressure, Fuel-Rich H2-Air Flames

Science.gov (United States)

Kojima, Jun; Nguyen, Quang-Viet

2003-01-01

Rotational vibrational spontaneous Raman spectra (SRS) of H2, N2, and H2O have been measured in H2-air flames at pressures up to 30 atm as a first stem towards establishing a comprehensive Raman spectral database for temperatures and species in high-pressure combustion. A newly developed high-pressure burner facility provides steady, reproducible flames with a high degree of flow precision. We have obtained an initial set of measurements that indicate the spectra are of sufficient quality in terms of spectral resolution, wavelength coverage, and signal-to-noise ratio for use in future reference standards. The fully resolved Stokes and anti-Stokes shifted SRS spectra were collected in the visible wavelength range (400-700 nm) using pulse-stretched 532 nm excitation and a non-intensified CCD spectrograph with a high-speed shutter. Reasonable temperatures were determined via the intensity distribution of rotational H2 lines at stoichiometry and fuel-rich conditions. Theoretical Raman spectra of H2 were computed using a semi-classical harmonic-oscillator model with recent pressure broadening data and were compared with experimental results. The data and simulation indicated that high-J rotational lines of H2 might interfere with the N2 vibrational Q-branch lines, and this could lead to errors in N2-Raman thermometry based on the line-fitting method. From a comparison of N2 Q-branch spectra in lean H2 low-pressure (1.2 atm) and high-pressure (30 atm) flames, we found no significant line-narrowing or -broadening effects at the current spectrometer resolution of 0.04 nm.

Time-resolved spectroscopy of the probe fluorescence in the study of human blood protein dynamic structure on SR beam

International Nuclear Information System (INIS)

Dobretsov, G.E.; Kurek, N.K.; Syrejshchikova, T.I.; Yakimenko, M.N.; Clarke, D.T.; Jones, G.R.; Munro, I.H.

2000-01-01

Time-resolved spectroscopy on the SRS of the Daresbury Laboratory was used for the study of the human serum lipoproteins and human blood albumins with fluorescent probes K-37 and K-35, developed in Russia. The probe K-37 was found sensitive to the difference in dynamic properties of the lipid objects. Two sets of the parameters were used for the description of lipid dynamic structure: (1) time-resolved fluorescence spectra and (2) time-resolved fluorescence depolarization as a function of rotational mobility of lipid molecules. Each measured dynamic parameter reflected the monotonous changes of dynamic properties in the range: lipid spheres-very low density lipoproteins-low density lipoproteins-high density lipoproteins-phospholipid liposomes. The range is characterized by the increase of the ratio polar/ nonpolar lipids. Thus, time-resolved fluorescence could be used to detect some structural modifications in lipoproteins related to atherosclerosis and subsequent cardiovascular diseases development

Space-resolved XUV spectra of CVI and BV lines from a 10 ps KrF laser-produced plasma

International Nuclear Information System (INIS)

Iglesias, E.J.; Griem, H.R.; Elton, R.C.; Scott, H.

1999-01-01

We produced a plasma using highly focused ∼50 mJ, 10 ps pulses from a KrF laser on graphite and boron-carbide targets. We measured space-resolved (along the plasma axis) line profiles of Hydrogen-like and Helium-like Carbon and Boron resonance lines, using a crossed-slit, 1 m grazing-incidence spectrometer, with a spatial resolution ∼50 μm. Synthetic spectra generated with the atomic postprocessor CRETIN provided preliminary estimates of the plasma electron temperature and density. copyright 1999 American Institute of Physics

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

O2 rotational temperature measurements in an atmospheric air microdischarge by radar resonance-enhanced multiphoton ionization

International Nuclear Information System (INIS)

Sawyer, Jordan; Wu, Yue; Zhang, Zhili; Adams, Steven F.

2013-01-01

Nonintrusive spatially resolved rotational temperature measurements in an atmospheric air microdischarge are presented. The measurements were based on coherent microwave Rayleigh scattering (Radar) from resonance-enhanced multiphoton ionization of molecular oxygen. The open air DC microdischarge source operated in a stable “normal-glow” mode and pin-to-pin electrodes spaced 1.3 mm apart. The second harmonic of a tunable dye laser beam was focused between the two electrodes and scanned between 286 and 288 nm. Coherent microwave Rayleigh scattering was used to collect the two-photon rotational spectra of O 2 at C 3 Π(v = 2)←X 3 Σ(v′ = 0) transitions. The Boltzmann plots from analyses of the O 2 rotational lines determined local rotational temperatures at various axial locations between the electrodes. The molecular oxygen rotational temperature varied from ∼1150 K to ∼1350 K within the discharge area. The measurements had an accuracy of ∼±50 K.

O2 rotational temperature measurements in an atmospheric air microdischarge by radar resonance-enhanced multiphoton ionization

Science.gov (United States)

Sawyer, Jordan; Wu, Yue; Zhang, Zhili; Adams, Steven F.

2013-06-01

Nonintrusive spatially resolved rotational temperature measurements in an atmospheric air microdischarge are presented. The measurements were based on coherent microwave Rayleigh scattering (Radar) from resonance-enhanced multiphoton ionization of molecular oxygen. The open air DC microdischarge source operated in a stable "normal-glow" mode and pin-to-pin electrodes spaced 1.3 mm apart. The second harmonic of a tunable dye laser beam was focused between the two electrodes and scanned between 286 and 288 nm. Coherent microwave Rayleigh scattering was used to collect the two-photon rotational spectra of O2 at C3Π(v = 2)←X3Σ(v' = 0) transitions. The Boltzmann plots from analyses of the O2 rotational lines determined local rotational temperatures at various axial locations between the electrodes. The molecular oxygen rotational temperature varied from ˜1150 K to ˜1350 K within the discharge area. The measurements had an accuracy of ˜±50 K.

Structure, spectra and thermal, mechanical, Faraday rotation properties of novel diamagnetic SeO2-PbO-Bi2O3-B2O3 glasses

Science.gov (United States)

Chen, Qiuling; Su, Kai; Li, Yantao; Zhao, Zhiwei

2018-06-01

Faraday rotation diamagnetic glass has attracted research attentions in photonics, sensing and magneto optical devices due to their high refractive index, wide transmittance in UV and Fourier transform infrared (FT-IR) range and temperature independent Faraday rotation. Selenite modified heavy metal oxides glasses with composition of xSeO2-(10-x) B2O3-45PbO-45Bi2O3 (x = 0, 1, 5 and 10mol%) and 15%SeO2-40%PbO-45%Bi2O3 have been fabricated by melt-quenching method in present study. The influence of SeO2 on glass forming ability, thermal, mechanical properties and Faraday rotation were evaluated through X-ray Diffraction (XRD), Fourier transforms infrared spectra (FT-IR), Raman, X-ray photoelectron spectroscopy (XPS), differential scanning calorimetry (DSC), Vicker's hardness and Verdet constant measurements. XRD spectra reveal that the good vitrification was achieved for glass with SeO2 amounts ≤10% even without B2O3. FT-IR, Raman and XPS spectra ascertain the existence of characteristic vibration of SeO4, SeO3, PbO4, BiO3 and BO3 units. The incorporation of SeO2 increases the connectivity of glassy network by increasing the Tg, thermal stability and mechanical hardness. The small band gap, high polarizable Se4+ ions and isolated SeO3 units contribute to Faraday rotation improvement.

Spatially Resolved Gas Temperature Measurements in an Atmospheric Pressure DC Glow Microdischarge with Raman Scattering

Science.gov (United States)

Belostotskiy, S.; Wang, Q.; Donnelly, V.; Economou, D.; Sadeghi, N.

2006-10-01

Spatially resolved rotational Raman spectroscopy of ground state nitrogen N2(X^1σg^+) was used to measure the gas temperature (Tg) in a nitrogen dc glow microdischarge (gap between electrodes d˜500 μm). An original backscattering, confocal optical system was developed for collecting Raman spectra. Stray laser light and Raleigh scattering were blocked by using a triple grating monochromator and spatial filters, designed specifically for these experiments. The optical system provided a spatial resolution of electrodes, Tg increased linearly with jd, reaching 500 K at 1000 mA/cm^2 jd for a pressure of 720 Torr. Spatially resolved gas temperature measurements will also be presented and discussed in combination with a mathematical model for gas heating in the microplasma. This work is supported by DoE/NSF.

Examining transition metal hydrosulfides: The pure rotational spectrum of ZnSH (X̃2A').

Science.gov (United States)

Bucchino, M P; Adande, G R; Halfen, D T; Ziurys, L M

2017-10-21

The pure rotational spectrum of the ZnSH (X̃ 2 A') radical has been measured using millimeter-wave direct absorption and Fourier transform microwave (FTMW) methods across the frequency range 18-468 GHz. This work is the first gas-phase detection of ZnSH by any spectroscopic technique. Spectra of the 66 ZnSH, 68 ZnSH, and 64 ZnSD isotopologues were also recorded. In the mm-wave study, ZnSH was synthesized in a DC discharge by the reaction of zinc vapor, generated by a Broida-type oven, with H 2 S; for FTMW measurements, the radical was made in a supersonic jet expansion by the same reactants but utilizing a discharge-assisted laser ablation source. Between 7 and 9 rotational transitions were recorded for each isotopologue. Asymmetry components with K a = 0 through 6 were typically measured in the mm-wave region, each split into spin-rotation doublets. In the FTMW spectra, hyperfine interactions were also resolved, arising from the hydrogen or deuterium nuclear spins of I = 1/2 or I = 1, respectively. The data were analyzed using an asymmetric top Hamiltonian, and rotational, spin-rotation, and magnetic hyperfine parameters were determined for ZnSH, as well as the quadrupole coupling constant for ZnSD. The observed spectra clearly indicate that ZnSH has a bent geometry. The r m (1) structure was determined to be r Zn-S = 2.213(5) Å, r S-H = 1.351(3) Å, and θ Zn-S-H = 90.6(1)°, suggesting that the bonding occurs primarily through sulfur p orbitals, analogous to H 2 S. The hyperfine constants indicate that the unpaired electron in ZnSH primarily resides on the zinc nucleus.

Progress Towards the Rotational Spectrum of H_5^+ and its Isotopologues

Science.gov (United States)

McGuire, Brett A.; Wang, Yimin; Bowman, Joel M.; Weaver, Susanna L. Widicus

2011-06-01

The reaction of H_3^+ with H_2, arguably the most common bimolecular reaction in the universe, proceeds through the H_5^+ collisional complex. This reaction, and consequently H_5^+, greatly influence the chemical and physical processes in the interstellar medium, playing crucial roles in such varied processes as isotopic fractionation and the formation of complex organic molecules. A thorough understanding of the role of H_5^+ in interstellar chemistry is contingent upon its definitive astronomical detection, necessitating the acquisition of a laboratory rotational spectrum. Rotationally-resolved spectra of H_5^+ in the terahertz region have not yet been observed experimentally. The prediction of this spectrum based on a high-level theoretical study is therefore an important first step to guide experiment. The highly fluxional nature of H_5^+ presents major challenges for theory, especially for the pure rotational spectrum due to the difficulties in determining an accurate dipole moment from a correct description of the highly delocalized zero-point wavefunction. We have now completed this work using the most recent potential energy and dipole moment surfaces for H_5^+ and its isotopologues DH_4^+, D_2H_3^+, D_3H_2^+, D_4H^+, and D_5^+. Pure rotational spectra have been predicted for these species based on the optimized minimum-energy geometries and the zero-point averaged dipole moments calculated from our potential energy surface. We will discuss the implications of these results for the detection of each ion's rotational spectrum, show preliminary predictions of the rotational spectrum for those species possessing permanent dipole moments, and comment on the degree of expected spectral splitting arising from internal motion. Finally, we will report on progress toward the laboratory spectroscopic investigation of these species in the terahertz region.

Particle-rotation coupling in atomic nuclei

International Nuclear Information System (INIS)

Almberger, J.

1980-01-01

Recently an increased interest in the rotational nuclei has been spurred by the new experimental high-spin activities and by the possibilities for lower spins to interpret an impressive amount of experimental data by some comparatively simple model calculations. The author discusses the particle modes of excitation for rotational nuclei in the pairing regime where some puzzles in the theoretical description remain to be resolved. A model comparison is made between the particle-rotor and cranking models which have different definitions of the collective rotation. The cranking model is found to imply a smaller value of the quasiparticle spin alignment than the particle-rotor model. Rotational spectra for both even and odd nuclei are investigated with the use of the many-BCS-quasiparticles plus rotor model. This model gives an accurate description of the ground and S-bands in many even-even rare-earth nuclei. However, the discrepancies for odd-A nuclei between theory and experiments point to the importance of additional physical components. Therefore the rotationally induced quadrupole pair field is considered. This field has an effect on the low spin states in odd-A nuclei, but is not sufficient to account for the experimental data. Another topic considered is the interaction matrix element in crossings for given spin between quasiparticle rotational bands. The matrix elements are found to oscillate as a function of the number of particles, thereby influencing the sharpness of the backbending. Finally the low-spin continuation of the S-band is studied and it is shown that such states can be populated selectively by means of one-particle pickup reactions involving high angular momentum transfer. (Auth.)

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

Science.gov (United States)

Evans, Corey J; Needham, Lisa-Maria E; Walker, Nicholas R; Köckert, Hansjochen; Zaleski, Daniel P; Stephens, Susanna L

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 (2)Π1/2 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 Y01, Y02, Y11, and Y21, 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.

Helical modes generate antimagnetic rotational spectra in nuclei

Science.gov (United States)

Malik, Sham S.

2018-03-01

A systematic analysis of the antimagnetic rotation band using r -helicity formalism is carried out for the first time. The observed octupole correlation in a nucleus is likely to play a role in establishing the antimagnetic spectrum. Such octupole correlations are explained within the helical orbits. In a rotating field, two identical fermions (generally protons) with paired spins generate these helical orbits in such a way that its positive (i.e., up) spin along the axis of quantization refers to one helicity (right-handedness) while negative (down) spin along the same quantization-axis decides another helicity (left-handedness). Since the helicity remains invariant under rotation, therefore, the quantum state of a fermion is represented by definite angular momentum and helicity. These helicity represented states support a pear-shaped structure of a rotating system having z axis as the symmetry axis. A combined operation of parity, time-reversal, and signature symmetries ensures an absence of one of the signature partner band from the observed antimagnetic spectrum. This formalism has also been tested for the recently observed negative parity Δ I =2 antimagnetic spectrum in odd-A 101Pd nucleus and explains nicely its energy spectrum as well as the B (E 2 ) values. Further, this formalism is found to be fully consistent with twin-shears mechanism popularly known for such type of rotational bands. It also provides significant clue for extending these experiments in various mass regions spread over the nuclear chart.

Rotational Spectra of Adrenaline and Noradrenaline

Science.gov (United States)

Cortijo, V.; López, J. C.; Alonso, J. L.

2009-06-01

The emergence of Laser Ablation Molecular Beam Fourier Transform Microwave (LA-MB-FTMW) spectroscopy has rendered accessible the gas-phase study of solid biomolecules with high melting points. Among the biomolecules to benefit from this technique, neurotransmitters have received special attention due to the lack of experimental information and their biological relevance. As a continuation of the we present the study of adrenaline and noradrenaline. The comparison between the experimental rotational and ^{14}N nuclear quadrupole coupling constants and those calculated ab initio provide a definitive test for molecular structures and confirm unambiguously the identification of four conformers of adrenaline and three conformers of noradrenaline. Their relative population in the jet has been evaluated by relative intensity measurements of selected rotational transitions. The most abundant conformer in both neurotransmitters present an extended AG configuration with a O-H\\cdotsN hydrogen bond in the side chain. J.L. Alonso, M.E. Sanz, J.C. López and V. Cortijo, J. Am. Chem. Soc. (in press), 2009

Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase

International Nuclear Information System (INIS)

Wang Haobin; Thoss, Michael

2008-01-01

A quantum dynamical method is presented to accurately simulate time-resolved nonlinear spectra for complex molecular systems. The method combines the nonpertubative approach to describe nonlinear optical signals with the multilayer multiconfiguration time-dependent Hartree theory to calculate the laser-induced polarization for the overall field-matter system. A specific nonlinear optical signal is obtained by Fourier decomposition of the overall polarization. The performance of the method is demonstrated by applications to photoinduced ultrafast electron transfer reactions in mixed-valence compounds and at dye-semiconductor interfaces

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

International Nuclear Information System (INIS)

Back, C.A.; Feldman, U.; Weaver, J.L.; Seely, J.F.; Constantin, C.; Holland, G.; Lee, R.W.; Chung, H.-K.; Scott, H.A.

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 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, λ/δλ 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

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.

Internal energy of HCl upon photolysis of 2-chloropropene at 193 nm investigated with time-resolved Fourier-transform spectroscopy and quasiclassical trajectories

International Nuclear Information System (INIS)

Chang, C.-M.; Huang, Y.-H.; Liu, S.-Y.; Lee, Y.-P.; Pombar-Perez, Marta; Martinez-Nunez, Emilio; Vazquez, Saulo A.

2008-01-01

Following photodissociation of 2-chloropropene (H 2 CCClCH 3 ) at 193 nm, vibration-rotationally resolved emission spectra of HCl (υ≤6) in the spectral region of 1900-2900 cm -1 were recorded with a step-scan time-resolved Fourier-transform spectrometer. All vibrational levels show a small low-J component corresponding to ∼400 K and a major high-J component corresponding to 7100-18 700 K with average rotational energy of 39± 3 11 kJ mol -1 . The vibrational population of HCl is inverted at υ=2, and the average vibrational energy is 86±5 kJ mol -1 . Two possible channels of molecular elimination producing HCl+propyne or HCl+allene cannot be distinguished positively based on the observed internal energy distribution of HCl. The observed rotational distributions fit qualitatively with the distributions of both channels obtained with quasiclassical trajectories (QCTs), but the QCT calculations predict negligible populations for states at small J. The observed vibrational distribution agrees satisfactorily with the total QCT distribution obtained as a weighted sum of contributions from both four-center elimination channels. Internal energy distributions of HCl from 2-chloropropene and vinyl chloride are compared.

DETECTION OF ROTATIONAL SPECTRAL VARIATION ON THE M-TYPE ASTEROID (16) PSYCHE

Energy Technology Data Exchange (ETDEWEB)

Sanchez, Juan A.; Thomas, Cristina [Planetary Science Institute, Tucson, AZ 85719 (United States); Reddy, Vishnu [Lunar and Planetary Laboratory, University of Arizona, Tucson, AZ 85721 (United States); Shepard, Michael K. [Bloomsburg University, Bloomsburg, PA 17815 (United States); Cloutis, Edward A.; Kiddell, Cain; Applin, Daniel [Department of Geography, University of Winnipeg, Winnipeg, Manitoba (Canada); Takir, Driss [Astrogeology Science Center, U.S. Geological Survey, Flagstaff, AZ 86001 (United States); Conrad, Albert, E-mail: jsanchez@psi.edu [LBT Observatory, University of Arizona, Tucson, AZ 85721 (United States)

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 μ m) 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 μ m. Band center values were used to calculate the pyroxene chemistry of the asteroid, whose average value was found to be Fs{sub 30}En{sub 65}Wo{sub 5}. 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.

DETECTION OF ROTATIONAL SPECTRAL VARIATION ON THE M-TYPE ASTEROID (16) PSYCHE

International Nuclear Information System (INIS)

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

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 μ m) 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 μ m. Band center values were used to calculate the pyroxene chemistry of the asteroid, whose average value was found to be Fs 30 En 65 Wo 5 . 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.

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.

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.

The analysis of time-resolved optically stimulated luminescence: I. Theoretical considerations

International Nuclear Information System (INIS)

Chithambo, M L

2007-01-01

This is the first of two linked papers on the analysis of time-resolved optically stimulated luminescence. This paper focusses on a theoretical basis of analytical methods and on methods for interpretation of time-resolved luminescence spectra and calculation of luminescence throughput. Using a comparative analysis of the principal features of time-resolved luminescence and relevant analogues from steady state optical stimulation, formulae for configuring a measurement system for optimum performance are presented. We also examine the possible use of stretched-exponential functions for analysis of time-resolved optically stimulated luminescence spectra

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

International Nuclear Information System (INIS)

Knecht, Stefan; Saue, Trond

2012-01-01

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 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

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

The rotational spectrum of IBr

International Nuclear Information System (INIS)

Tiemann, E.; Moeller, T.

1975-01-01

The microwave spectrum of IBr was measured in the low rotational transition J = 3 → 2 in order to resolve the hyperfine structure as completely as possible. Rotational constants and quadrupole coupling constants were derived for both nuclei. The observation of the rotational spectrum in different vibrational states yields the vibrational dependence of the rotational constants as well as of the hyperfine parameters. The Dunham potential coefficients α 0 , α 1 , α 2 , α 3 are given. (orig.) [de

Sequence-specific 1H NMR resonance assignments of Bacillus subtilis HPr: Use of spectra obtained from mutants to resolve spectral overlap

International Nuclear Information System (INIS)

Wittekind, M.; Klevit, R.E.; Reizer, J.

1990-01-01

On the basis of an analysis of two-dimensional 1 H NMR spectra, the complete sequence-specific 1 H NMR assignments are presented for the phosphocarrier protein HPr from the Gram-positive bacterium Bacillus subtilis. During the assignment procedure, extensive use was made of spectra obtained from point mutants of HPr in order to resolve spectral overlap and to provide verification of assignments. Regions of regular secondary structure were identified by characteristic patterns of sequential backbone proton NOEs and slowly exchanging amide protons. B subtilis HPr contains four β-strands that form a single antiparallel β-sheet and two well-defined α-helices. There are two stretches of extended backbone structure, one of which contains the active site His 15 . The overall fold of the protein is very similar to that of Escherichia coli HPr determined by NMR studies

Time-resolved emission from laser-ablated uranium

International Nuclear Information System (INIS)

Stoffels, E.; Mullen, J. van der; Weijer, P. van de

1991-01-01

Time-resolved emission spectra from the plasma, induced by laser ablation of uranium samples have been studied. The dependence of the emission intensity on time is strongly affected by the nature and pressure of the buffer gas. Air and argon have been used in the pressure range 0.002 to 5 mbar. The emission intensity as a function of time displays three maxima, indicating that three different processes within the expanding plasma plume are involved. On basis of the time-resolved spectra we propose a model that explains qualitatively the phenomena that are responsible for this time behaviour. (author)

Quantum rotation and translation of hydrogen molecules encapsulated inside C₆₀: temperature dependence of inelastic neutron scattering spectra.

Science.gov (United States)

Horsewill, A J; Goh, K; Rols, S; Ollivier, J; Johnson, M R; Levitt, M H; Carravetta, M; Mamone, S; Murata, Y; Chen, J Y-C; Johnson, J A; Lei, X; Turro, N J

2013-09-13

The quantum dynamics of a hydrogen molecule encapsulated inside the cage of a C60 fullerene molecule is investigated using inelastic neutron scattering (INS). The emphasis is on the temperature dependence of the INS spectra which were recorded using time-of-flight spectrometers. The hydrogen endofullerene system is highly quantum mechanical, exhibiting both translational and rotational quantization. The profound influence of the Pauli exclusion principle is revealed through nuclear spin isomerism. INS is shown to be exceptionally able to drive transitions between ortho-hydrogen and para-hydrogen which are spin-forbidden to photon spectroscopies. Spectra in the temperature range 1.6≤T≤280 K are presented, and examples are given which demonstrate how the temperature dependence of the INS peak amplitudes can provide an effective tool for assigning the transitions. It is also shown in a preliminary investigation how the temperature dependence may conceivably be used to probe crystal field effects and inter-fullerene interactions.

Multilinear analysis of Time-Resolved Laser-Induced Fluorescence Spectra of U(VI containing natural water samples

Directory of Open Access Journals (Sweden)

Višňák Jakub

2017-01-01

Full Text Available Natural waters’ uranium level monitoring is of great importance for health and environmental protection. One possible detection method is the Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS, which offers the possibility to distinguish different uranium species. The analytical identification of aqueous uranium species in natural water samples is of distinct importance since individual species differ significantly in sorption properties and mobility in the environment. Samples originate from former uranium mine sites and have been provided by Wismut GmbH, Germany. They have been characterized by total elemental concentrations and TRLFS spectra. Uranium in the samples is supposed to be in form of uranyl(VI complexes mostly with carbonate (CO32− and bicarbonate (HCO3− and to lesser extend with sulphate (SO42− , arsenate (AsO43− , hydroxo (OH− , nitrate (NO3− and other ligands. Presence of alkaline earth metal dications (M = Ca2+ , Mg2+ , Sr2+ will cause most of uranyl to prefer ternary complex species, e.g. Mn(UO2(CO332n-4 (n ∊ {1; 2}. From species quenching the luminescence, Cl− and Fe2+ should be mentioned. Measurement has been done under cryogenic conditions to increase the luminescence signal. Data analysis has been based on Singular Value Decomposition and monoexponential fit of corresponding loadings (for separate TRLFS spectra, the “Factor analysis of Time Series” (FATS method and Parallel Factor Analysis (PARAFAC, all data analysed simultaneously. From individual component spectra, excitation energies T00, uranyl symmetric mode vibrational frequencies ωgs and excitation driven U-Oyl bond elongation ΔR have been determined and compared with quasirelativistic (TDDFT/B3LYP theoretical predictions to cross -check experimental data interpretation.

Multilinear analysis of Time-Resolved Laser-Induced Fluorescence Spectra of U(VI) containing natural water samples

Science.gov (United States)

Višňák, Jakub; Steudtner, Robin; Kassahun, Andrea; Hoth, Nils

2017-09-01

Natural waters' uranium level monitoring is of great importance for health and environmental protection. One possible detection method is the Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS), which offers the possibility to distinguish different uranium species. The analytical identification of aqueous uranium species in natural water samples is of distinct importance since individual species differ significantly in sorption properties and mobility in the environment. Samples originate from former uranium mine sites and have been provided by Wismut GmbH, Germany. They have been characterized by total elemental concentrations and TRLFS spectra. Uranium in the samples is supposed to be in form of uranyl(VI) complexes mostly with carbonate (CO32- ) and bicarbonate (HCO3- ) and to lesser extend with sulphate (SO42- ), arsenate (AsO43- ), hydroxo (OH- ), nitrate (NO3- ) and other ligands. Presence of alkaline earth metal dications (M = Ca2+ , Mg2+ , Sr2+ ) will cause most of uranyl to prefer ternary complex species, e.g. Mn(UO2)(CO3)32n-4 (n ɛ {1; 2}). From species quenching the luminescence, Cl- and Fe2+ should be mentioned. Measurement has been done under cryogenic conditions to increase the luminescence signal. Data analysis has been based on Singular Value Decomposition and monoexponential fit of corresponding loadings (for separate TRLFS spectra, the "Factor analysis of Time Series" (FATS) method) and Parallel Factor Analysis (PARAFAC, all data analysed simultaneously). From individual component spectra, excitation energies T00, uranyl symmetric mode vibrational frequencies ωgs and excitation driven U-Oyl bond elongation ΔR have been determined and compared with quasirelativistic (TD)DFT/B3LYP theoretical predictions to cross -check experimental data interpretation. Note to the reader: Several errors have been produced in the initial version of this article. This new version published on 23 October 2017 contains all the corrections.

Anomalies in the Spectra of the Uncorrelated Components of the Electric Field of the Earth at Frequencies that are Multiples of the Frequencies of Rotation of Relativistic Binary Star Systems

Science.gov (United States)

Grunskaya, L. V.; Isakevich, V. V.; Isakevich, D. V.

2018-05-01

A system is constructed, which, on the basis of extensive experimental material and the use of eigenoscopy, has allowed us to detect anomalies in the spectra of uncorrelated components localized near the rotation frequencies and twice the rotation frequencies of relativistic binary star systems with vanishingly low probability of false alarm, not exceeding 10-17.

State resolved rotational excitation in HD+D2 collisions. II. Angular dependence of 0→2 transitions

International Nuclear Information System (INIS)

Buck, U.; Huisken, F.; Maneke, G.; Schaefer, J.

1983-01-01

Time-of-flight spectra for the scattering of HD molecules from D 2 molecules have been measured at a collision energy of E = 70.3 meV over a range of center-of-mass scattering angles from 45 0 to 158 0 . The spectra reveal clearly resolved transitions at the energy loss ΔE = 33 meV which corresponds to 0→2 transitions of HD and the double transition 0→1 of HD and 0→2 of D 2 . The differential cross sections derived from these spectra increase with increasing scattering angle from 1.7% to 34.7% of the elastic cross section. The pure 0→2 transition of D 2 which only needs 22 meV to be induced could not be detected within our experimental sensitivity of 0.02 A 2 /sr. Closed coupled calculations based on the ab initio potential surface of Meyer and Schaefer show that this result can be explained by the different coupling terms which are responsible for these transitions. In contrast to the 0→1 transition the 0→2 transition of HD proved to be sensitive to the anisotropic part of the interaction potential for the homonuclear system. The comparison of experimental and calculated cross sections for the ab initio potential of Meyer and Schaefer reveals discrepancies for the 0→1 transition of HD, but shows agreement for the 0→2 transition of HD at intermediate angles

Application of two-dimensional J-resolved nuclear magnetic resonance spectroscopy to differentiation of beer

International Nuclear Information System (INIS)

Khatib, Alfi; Wilson, Erica G.; Kim, Hye Kyong; Lefeber, Alfons W.M.; Erkelens, Cornelis; Choi, Young Hae; Verpoorte, Robert

2006-01-01

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. 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 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 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

Preparation and infrared spectra of differently deuterated tetramethyl-derivatives of the IV. main group

International Nuclear Information System (INIS)

Biedermann, S.

1972-01-01

19 different deuterated tetramethyl derivates of the type (CH 3 )sub(4-n)M(CH 3 )sub(n) of C, Si, Ge, Sn and Pb were prepared. Gas cuvettes with polyethylene, NaCl and KBr windows were used to absorb the infra-red spectra, the IR equipment Beckman IR 11 and IR 12 were used. The infra-red spectra of the above mentioned compounds were indicated from 33 to 4,000 cm -1 , the ground, upper and combination vibrations assigned, the PR separations of the partly well resolved rotation-vibration outlines determined and were compared with the calculated PR separations. The revision of the correlations performed by Graham for γsub(s)CH 3 and γsub(as)CH 3 in the race of vibration F 2 with Sn(CH 3 ) 4 and Pb(CH 3 ) 4 and the proposed one with C(CH 3 ) 4 , Si(CH 3 ) 4 and Ge(CH 3 ) 4 could be disproved by the new experimental results. (FW) [de

Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules

Science.gov (United States)

Yachmenev, Andrey; Küpper, Jochen

2017-10-01

A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH3). The method extends the general variational approach TROVE [J. Mol. Spectrosc. 245, 126-140 (2007)] by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH143. These results agree very well with recent experimental spectroscopic data for the pure rotational transitions in the ground vibrational and ν2 states and the rovibrational transitions in the ν1, ν3, 2ν4, and ν1 + ν3 bands. The computed hyperfine-resolved rovibrational spectrum of ammonia will be beneficial for the assignment of experimental rovibrational spectra, further detection of ammonia in interstellar space, and studies of the proton-to-electron mass variation.

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.

Spatially resolved spectra of the 'teacup' active galactic nucleus: tracing the history of a dying quasar

International Nuclear Information System (INIS)

Gagne, J. P.; Crenshaw, D. M.; Fischer, T. C.; Kraemer, S. B.; Schmitt, H. R.; Keel, W. C.; Rafter, S.; 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 the physical conditions of this galaxy with long-slit, ground-based spectroscopy from the Lowell, Lick, and KPNO observatories. With the Lowell 1.8 m 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] λ6716/λ6731 ratio. We generated two-component photoionization models for each spatially resolved Lowell spectrum. These models allow us to calculate the AGN bolometric luminosity seen by the gas at different radii from the nuclear center of the Teacup. Our results show a drop in bolometric luminosity by more than two orders of magnitude from the EELR to the nucleus, suggesting that the AGN has decreased in luminosity by this amount in a continuous fashion over 46,000 yr, supporting the case for a dying AGN in this galaxy independent of any IR based evidence. We demonstrate that spatially resolved photoionization modeling could be applied to EELRs to investigate long timescale variability.

Spatially resolved spectra of the 'teacup' active galactic nucleus: tracing the history of a dying quasar

Energy Technology Data Exchange (ETDEWEB)

Gagne, J. P.; Crenshaw, D. M.; Fischer, T. C. [Department of Physics and Astronomy, Georgia State University, Astronomy Offices, 25 Park Place South SE, Suite 600, Atlanta, GA 30303 (United States); Kraemer, S. B. [Department of Physics, Catholic University of America, 620 Michigan Avenue, N.E., Washington, DC 20064 (United States); Schmitt, H. R. [Naval Research Laboratory, Washington, DC 20375 (United States); Keel, W. C. [Department of Physics and Astronomy, University of Alabama, Box 870324, Tuscaloosa, AL 35487 (United States); Rafter, S. [Physics Department, Technion, Haifa 32000 (Israel); Bennert, V. N. [Physics Department, California Polytechnic State University San Luis Obispo, CA 93407 (United States); Schawinski, K., E-mail: gagne@chara.gsu.edu [Institute for Astronomy, Department of Physics, ETH Zurich, Wolfgang-Pauli-Strasse 27, CH-8093 Zurich (Switzerland)

2014-09-01

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 the physical conditions of this galaxy with long-slit, ground-based spectroscopy from the Lowell, Lick, and KPNO observatories. With the Lowell 1.8 m 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] λ6716/λ6731 ratio. We generated two-component photoionization models for each spatially resolved Lowell spectrum. These models allow us to calculate the AGN bolometric luminosity seen by the gas at different radii from the nuclear center of the Teacup. Our results show a drop in bolometric luminosity by more than two orders of magnitude from the EELR to the nucleus, suggesting that the AGN has decreased in luminosity by this amount in a continuous fashion over 46,000 yr, supporting the case for a dying AGN in this galaxy independent of any IR based evidence. We demonstrate that spatially resolved photoionization modeling could be applied to EELRs to investigate long timescale variability.

Time-resolved resonance Raman spectroscopy of radiation-chemical processes

International Nuclear Information System (INIS)

Tripathi, G.N.R.

1983-01-01

A tunable pulsed laser Raman spectrometer for time resolved Raman studies of radiation-chemical processes is described. This apparatus utilizes the state of art optical multichannel detection and analysis techniques for data acquisition and electron pulse radiolysis for initiating the reactions. By using this technique the resonance Raman spectra of intermediates with absorption spectra in the 248-900 nm region, and mean lifetimes > 30 ns can be examined. This apparatus can be used to time resolve the vibrational spectral overlap between transients absorbing in the same region, and to follow their decay kinetics by monitoring the well resolved Raman peaks. For kinetic measurements at millisecond time scale, the Raman technique is preferable over optical absorption method where low frequency noise is quite bothersome. A time resolved Raman study of the pulse radiolytic oxidation of aqueous tetrafluorohydroquinone and p-methoxyphenol is briefly discussed. 15 references, 5 figures

Probing the Electronic Environment of Methylindoles using Internal Rotation and (14)N Nuclear Quadrupole Coupling.

Science.gov (United States)

Gurusinghe, Ranil M; Tubergen, Michael J

2016-05-26

High-resolution rotational spectra were recorded in the 10.5-21.0 GHz frequency range for seven singly methylated indoles. (14)N nuclear quadrupole hyperfine structure and spectral splittings arising from tunneling along the internal rotation of the methyl group were resolved for all indole species. The nuclear quadrupole coupling constants were used to characterize the electronic environment of the nitrogen atom, and the program XIAM was used to fit the barrier to internal rotation to the measured transition frequencies. The best fit barriers were found to be 277.1(2), 374.32(4), 414.(5), 331.6(2), 126.8675(15), 121.413(4), and 426(3) cm(-1) for 1-methylindole through 7-methylindole, respectively. The fitted barriers were found to be in good agreement with barriers calculated at the ωB97XD/6-311++G(d,p) level. The complete set of experimental barriers is compared to theoretical investigations of the origins of methyl torsional barriers and confirms that the magnitude of these barriers is an overall effect of individual hyperconjugative and structural interactions of many bonding/antibonding orbitals.

Asteroid rotation rates

International Nuclear Information System (INIS)

Binzel, R.P.; Farinella, P.

1989-01-01

Within the last decade the data base of asteroid rotation parameters (rotation rates and lightcurve amplitudes) has become sufficiently large to identify some definite rends and properties which can help us to interpret asteroid collisional evolution. Many significant correlations are found between rotation parameters and diameter, with distinct changes occurring near 125 km. The size range, which is also the diameter above which self-gravity may become important, perhaps represents a division between surviving primordial asteroids and collisional fragments. A Maxwellian is able to fit the observed rotation rate distributions of asteroids with D>125 km, implying that their rotation rates may be determined by collisional evolution. Asteroids with D<125 km show an excess of slow rotators and their non-Maxwellian distributions suggests that their rotation rates are more strongly influenced by other processes, such as the distribution resulting from their formation in catastrophic disruption events. Other correlations observed in the data set include different mean rotation rates for C, S and M type asteroids implying that their surface spectra are indicative of bulk properties

Study of the photoexcited carrier dynamics in InP:Fe using time-resolved reflection and photoluminescence spectra

International Nuclear Information System (INIS)

Huang Shihua; Li Xi; Lu Fang

2004-01-01

The photoexcited carrier dynamics and photoluminescence of the undoped InP and Fe implanted InP was studied by time-resolved reflection and photoluminescence spectra. The decay times of reflection recovery and the radiative recombination for Fe implanted InP are shorter than those of undoped InP. Considering the surface recombination, a model was developed to simulate the reflection recovery dynamics, it agrees with the experimental results very well. Moreover, we obtained the ambipolar diffusion coefficient and the surface recombination velocity by using the model. For Fe-doped InP, the surface recombination velocity is much larger than that for the undoped InP, which is probably due to Fe 2+/3+ trapping centers and the large surface band bending. The PL decay time for Fe implanted InP is shorter than that for undoped InP, which is ascribed to the capture centers introduced by metallic precipitates

New layout of time resolved beam energy spectrum measurement for dragon-I

International Nuclear Information System (INIS)

Liao Shuqing; Zhang Kaizhi; Shi Jinshui

2010-01-01

A new layout of time resolved beam energy spectrum measurement is proposed for Dragon-I by a new method named RBS (rotating beams in solenoids). The basic theory of RBS and the new layout are presented and the measuring error is also discussed. The derived time resolved beam energy spectrum is discrete and is determined by measuring the beam's rotating angle and expanding width through a group of solenoids at the export of Dragon-I. (authors)

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

Directory of Open Access Journals (Sweden)

Tamás Csörgő

2018-03-01

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

Restoration of three-dimensional MR images degraded by rotational movements

International Nuclear Information System (INIS)

Wood, M.L.

1990-01-01

This paper describes a method to restore three-dimensional (3D) magnetic resonance (MR) images that have been degraded by rotational movements, such as head nodding by a restless patient. The technique for acquiring the 3D MR images includes additional MR signals, which provide one-dimensional (1D) and two-dimensional (2D) projections of anatomy. The 1D projections detect gross movements, and the 2D projections resolve displacements in one plane. The 2D projections are transformed from Cartesian coordinates to polar coordinates to identify rotation. A spatial transformation to reverse the rotation is applied to the imaging data after they have been Fourier transformed to resolve structures in the plane of rotation, but before the Fourier transform for the third direction

Binding and relaxation behavior of Coumarin-153 in lecithin-taurocholate mixed micelles: A time resolved fluorescence spectroscopic study

Science.gov (United States)

Chakrabarty, Debdeep; Chakraborty, Anjan; Seth, Debabrata; Hazra, Partha; Sarkar, Nilmoni

2005-09-01

The microenvironment of the bile salt-lecithin mixed aggregates has been investigated using steady state and picosecond time resolved fluorescence spectroscopy. The steady state spectra show that the polarity of the bile salt is higher compared to lecithin vesicles or the mixed aggregates. We have observed slow solvent relaxation in bile salt micelles and lecithin vesicles. The solvation time is gradually slowed down due to gradual addition of the bile salt in lecithin vesicles. Addition of bile salt leads to the tighter head group packing in lecithin. Thus, mobility of the water molecules becomes slower and consequently the solvation time is also retarded. We have observed bimodal slow rotational relaxation time in all these systems.

Time resolved resonance Raman spectra of anilino radical and aniline radical cation

International Nuclear Information System (INIS)

Tripathi, G.N.R.; Schuler, R.H.

1987-01-01

We report, in this paper, submicrosecond time resolved resonance Raman spectra of anilino radical and its radical cation as observed in pulse radiolytic studies of the oxidation of aniline in aqueous solution. By excitation in resonance with the broad and weak electronic transition of anilino radical at 400 nm (ε--1250 M -1 cm -1 ) we have observed, for the first time, the vibrational features of this radical. The Wilson ν 8 /sub a/ ring stretching mode at 1560 cm -1 is most strongly resonance enhanced. The ν 7 /sub a/ CN stretching band at 1505 cm -1 , which is shifted to higher frequency by 231 cm -1 with respect to aniline, is also prominent. The frequency of this latter mode indicates that the CN bond in the radical has considerable double bond character. The Raman spectrum of aniline radical cation, excited in resonance with the --425 nm electronic absorption (ε--4000 M -1 cm -1 ), shows features which are similar to phenoxyl radical. Most of the observed frequencies of this radical in solution are in good agreement with vibrational energies determined by recent laser photoelectron spectroscopic studies in the vapor phase. The bands most strongly enhanced in the resonance Raman spectrum are, however, weak in the photoelectron spectrum. While the vibrational frequencies observed for anilino radical and its isoelectronic cation are quite similar, the resonance enhancement patterns are very different. In particular the ν 14 b 2 mode of anilino radical observed at 1324 cm -1 is highly resonance enhanced because of strong vibronic coupling between the 400 nm 2 A 2 -- 2 B 1 and the higher 2 B 1 -- 2 B 1 electronic transitions

The rotational spectra of HCNH/+/ and COH/+/ from quantum mechanical calculations

Science.gov (United States)

Defrees, D. J.; Loew, G. H.; Mclean, A. D.

1982-01-01

A description is provided of ab initio molecular orbital calculations designed to provide accurate predictions for the J = 1 to 0 rotational line of the candidate interstellar molecules HCNH(+) and COH(+). The former is believed to be important in the formation of both HCN and HNC in the interstellar medium. The latter, a metastable isomer of HCO(+), was first proposed as an interstellar molecule by Herbst et al. (1976). Attention is given to thermochemical arguments that this molecule can be formed in the same reactions which are proposed to form HCO(+), taking into account theoretical data which establish its stability to intramolecular rearrangement. Rotational constants are derived by applying an empirical correction to the ab initio rotational constants.

The role of quasiparticles in rotating transitional nuclei

International Nuclear Information System (INIS)

Frauendorf, Stefan

1984-01-01

The yrast sequency of nuclei rotating about the symmetry axis is classified in analogy to class I and II superconductors, where the quasiparticles play the role of the quantized flux in metals. The experimental spectra show a class I behaviour. The ω-dependence of the quasiparticle excitation energy in collectively rotating nuclei is used as evidence for magnitude of the pair correlations and the occurrence of triaxial shapes. A transition from triaxial to oblate shape explains the experimental spectra and E2-transition probabilities in the N=88-90 nuclei. (author)

Scanning photoelectron microscope for nanoscale three-dimensional spatial-resolved electron spectroscopy for chemical analysis.

Science.gov (United States)

Horiba, K; Nakamura, Y; Nagamura, N; Toyoda, S; Kumigashira, H; Oshima, M; Amemiya, K; Senba, Y; Ohashi, H

2011-11-01

In order to achieve nondestructive observation of the three-dimensional spatially resolved electronic structure of solids, we have developed a scanning photoelectron microscope system with the capability of depth profiling in electron spectroscopy for chemical analysis (ESCA). We call this system 3D nano-ESCA. For focusing the x-ray, a Fresnel zone plate with a diameter of 200 μm and an outermost zone width of 35 nm is used. In order to obtain the angular dependence of the photoelectron spectra for the depth-profile analysis without rotating the sample, we adopted a modified VG Scienta R3000 analyzer with an acceptance angle of 60° as a high-resolution angle-resolved electron spectrometer. The system has been installed at the University-of-Tokyo Materials Science Outstation beamline, BL07LSU, at SPring-8. From the results of the line-scan profiles of the poly-Si/high-k gate patterns, we achieved a total spatial resolution better than 70 nm. The capability of our system for pinpoint depth-profile analysis and high-resolution chemical state analysis is demonstrated. © 2011 American Institute of Physics

IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part II

International Nuclear Information System (INIS)

Tennyson, Jonathan; Bernath, Peter F.; Brown, Linda R.; Campargue, Alain; Csaszar, Attila G.; Daumont, Ludovic; Gamache, Robert R.; Hodges, Joseph T.; Naumenko, Olga V.; Polyansky, Oleg L.; Rothman, Laurence S.; Toth, Robert A.; Vandaele, Ann Carine; Zobov, Nikolai F.; Fally, Sophie; Fazliev, Alexander Z.; Furtenbacher, Tibor; Gordon, Iouli E.; Hu, Shui-Ming

2010-01-01

This is the second of a series of articles reporting critically evaluated rotational-vibrational line positions, transition intensities, pressure dependences, and energy levels, with associated critically reviewed assignments and uncertainties, for all the main isotopologues of water. This article presents energy levels and line positions of the following singly deuterated isotopologues of water: HD 16 O, HD 17 O, and HD 18 O. The MARVEL (measured active rotational-vibrational energy levels) procedure is used to determine the levels, the lines, and their self-consistent uncertainties for the spectral regions 0-22 708, 0-1674, and 0-12 105 cm -1 for HD 16 O, HD 17 O, and HD 18 O, respectively. For HD 16 O, 54 740 transitions were analyzed from 76 sources, the lines come from spectra recorded both at room temperature and from hot samples. These lines correspond to 36 690 distinct assignments and 8818 energy levels. For HD 17 O, only 485 transitions could be analyzed from three sources; the lines correspond to 162 MARVEL energy levels. For HD 18 O, 8729 transitions were analyzed from 11 sources and these lines correspond to 1864 energy levels. The energy levels are checked against ones determined from accurate variational nuclear motion computations employing exact kinetic energy operators. This comparison shows that the measured transitions account for about 86% of the anticipated absorbance of HD 16 O at 296 K and that the transitions predicted by the MARVEL energy levels account for essentially all the remaining absorbance. The extensive list of MARVEL lines and levels obtained are given in the Supplementary Material of this article, as well as in a distributed information system applied to water, W-DIS, where they can easily be retrieved. In addition, the transition and energy level information for H 2 17 O and H 2 18 O, given in the first paper of this series [Tennyson, et al. J Quant Spectr Rad Transfer 2009;110:573-96], has been updated.

Time-resolved x-ray line diagnostics of laser-produced plasmas

International Nuclear Information System (INIS)

Kauffman, R.L.; Matthews, D.L.; Kilkenny, J.D.; Lee, R.W.

1982-11-01

We have examined the underdense plasma conditions of laser irradiated disks using K x-rays from highly ionized ions. A 900 ps laser pulse of 0.532 μm light is used to irradiate various Z disks which have been doped with low concentrations of tracer materials. The tracers, whose Z's range from 13 to 22, are chosen so that their K x-ray spectrum is sensitive to typical underdense plasma temperatures and densities. Spectra are measured using a time-resolved crystal spectrograph recording the time history of the x-ray spectrum. A spatially-resolved, time-integrated crystal spectrograph also monitors the x-ray lines. Large differences in Al spectra are observed when the host plasms is changed from SiO 2 to PbO or In. Spectra will be presented along with preliminary analysis of the data

Time-resolved x-ray line diagnostics of laser-produced plasmas

International Nuclear Information System (INIS)

Kauffman, R.L.; Matthews, D.L.; Kilkenny, J.D.; Lee, R.W.

1982-01-01

We have examined the underdense plasma conditions of laser irradiated disks using K x-rays from highly ionized ions. A 900 ps laser pulse of 0.532 μm light is used to irradiate various Z disks which have been doped with low concentrations of tracer materials. The tracers whose Z's range from 13 to 22 are chosen so that their K x-ray spectrum is sensitive to typical underdense plasma temperatures and densities. Spectra are measured using a time-resolved crystal spectrograph recording the time history of the x-ray spectrum. A spatially-resolved, time-integrated crystal spectrograph also monitors the x-ray lines. Large differences in Al spectra are observed when the host plasma is changed from SiO 2 to PbO or In. Spectra will be presented along with preliminary analysis of the data

Trajectory resolved analysis of LEIS energy spectra: Neutralization and surface structure

International Nuclear Information System (INIS)

Beikler, Robert; Taglauer, Edmund

2001-01-01

For a quantitative evaluation of low-energy ion scattering (LEIS) data with respect to surface composition and structure a detailed analysis of the energy spectra is required. This includes the identification of multiple scattering processes and the determination of ion survival probabilities. We analyzed scattered ion energy spectra by using the computer code MARLOWE for which we developed a new analysis routine that allows to record energy distributions in dependence of the number of projectile-target atom collisions, in dependence of the distance of closest approach, or in dependence of the scattering crystalline layer. This procedure also permits the determination of ion survival probabilities by applying simple collision-dependent neutralization models. Experimental energy spectra for various projectile (He + , Ne + , Na + ) and target (transition metals, oxides) combinations are well reproduced and quantitative results for ion survival probabilities are obtained. These are largely in agreement with results obtained for bimetallic crystal surfaces obtained in a different way. Such MARLOWE calculations are also useful for the identification of structure relevant processes. This is shown exemplarily for the reconstructed Au(1 1 0) surface including a possibility to determine the (1x2)→(1x1) transition temperature

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.

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.

A symmetry based study of positron annihilation spectra

International Nuclear Information System (INIS)

Adam, G.; Adam, S.; Inst. of Physics and Nuclear Engineering, Bucharest

1995-01-01

The authors describe a method for off-line analysis of spectra measured by two-dimensional angular correlation of annihilation radiation (2D-ACAR) positron spectroscopy. The method takes into account, at all its stages, two salient data features: the piecewise constant discretization of the 2D physical momentum distribution into square pixels, performed by the setup, and the occurrence of a characteristic 2D projected symmetry of the positron-electron pair momentum distribution. Several validating criteria are derived which secure significantly increased reliability of the output. The method is tested on 2D-ACAR spectra measured on (R)Ba 2 Cu 3 O 7-δ (R123; R = Y, Dy) single crystals. It resolves ridge Fermi surfaces (FS) up to 3rd Umklapp components on both kinds of R123 spectra. Moreover, on a c-axis-projected Y123 spectrum, measured at 300 K, it resolves a small but clear signature of the pillbox FS at the S point of the first Brillouin zone as well

INTERPRETATION OF INFRARED VIBRATION-ROTATION SPECTRA OF INTERSTELLAR AND CIRCUMSTELLAR MOLECULES

International Nuclear Information System (INIS)

Lacy, John H.

2013-01-01

Infrared vibration-rotation lines can be valuable probes of interstellar and circumstellar molecules, especially symmetric molecules, which have no pure rotational transitions. But most such observations have been interpreted with an isothermal absorbing slab model, which leaves out important radiative transfer and molecular excitation effects. A more realistic non-LTE and non-isothermal radiative transfer model has been constructed. The results of this model are in much better agreement with the observations, including cases where lines in one branch of a vibration-rotation band are in absorption and another in emission. In general, conclusions based on the isothermal absorbing slab model can be very misleading, but the assumption of LTE may not lead to such large errors, particularly if the radiation field temperature is close to the gas temperature.

Symmetries and rotational line intensities in diatomic molecules

International Nuclear Information System (INIS)

Veseth, L.

1986-02-01

The general theory of angular momenta and the full rotation group is used to reconsider the theory of the intensity factors of rotational lines in the spectra of diatomic molecules (Hoenl-London factors). It is shown that the use of the rotational symmetry (rotation matrices) leads to compact derivations of the symmetry properties of the molecular wave functions, as well as the matrix elements of the transitions operator. The present work is restricted to spin-allowed electric dipole transitions, and the general sum rule characteristic of this type of transitions is rederived by use of the general angular momentum theory. A main purpose of the present work has been to provide a unified theoretical basis for exact numerical computations of Hoenl-London factors for all types of spin-allowed electric dipole transitions in diatomic molecules. The computed Hoenl-London factors are then in the next step intended to be the basis for construction of synthetic molecular band spectra, with particular applications to upper atmosperic emissions (aurora)

Rotational spectroscopy with an optical centrifuge.

Science.gov (United States)

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

2014-03-07

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)O2. Using the technique of resonance-enhanced multi-photon ionization, we record the spectrum of multiple ro-vibrational transitions between X(3)Σg(-) and C(3)Πg electronic manifolds of oxygen. Direct control of rotational excitation, extending to rotational quantum numbers as high as N ≳ 120, enables us to interpret the complex structure of rotational spectra of C(3)Πg beyond thermally accessible levels.

Observation of rotating nuclear molecules and determination of their lifetimes

Energy Technology Data Exchange (ETDEWEB)

Comas, V.; Heinz, S.; Ackermann, D.; Heredia, J.; Hessberger, F.P.; Khuyagbaatar, J.; Kindler, B.; Lommel, B.; Mann, R. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Hofmann, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Goethe-Universitaet Frankfurt, Institut fuer Physik, Frankfurt (Germany)

2012-12-15

Long-living rotating nuclear molecules (or ''dinuclear systems'') have been observed at the velocity filter SHIP at GSI in reactions of {sup 64}Ni + {sup 207}Pb at Coulomb barrier energies. The rotation was directly revealed by the velocity spectra of deep inelastic target-like transfer products which are formed during the lifetime of the nuclear molecule and emitted after its breakup. The corresponding rotation angles were about 180 degree pointing to long nuclear interaction times or lifetimes of the system, respectively. We deduced the lifetimes from the lines in the velocity spectra originating from two different rotation angles. Further, the unambiguous correlation of a certain transfer product with its individual velocity spectrum allowed us to study the lifetimes as a function of the number of transferred protons. (orig.)

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.

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.

2014-01-01

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. PMID:25360367

Consultants' meeting on prompt fission neutron spectra of major actinides. Summary report

International Nuclear Information System (INIS)

Capote Noy, R.; Maslov, V.; Bauge, E.; Ohsawa, T.; Vorobyev, A.; Chadwick, M.B.; Oberstedt, S.

2009-01-01

A Consultants' Meeting on 'Prompt Fission Neutron Spectra of Major Actinides' was held at IAEA Headquarters, Vienna, Austria, to discuss the adequacy and quality of the recommended prompt fission neutron spectra to be found in existing nuclear data applications libraries. These prompt fission neutron spectra were judged to be inadequate, and this problem has proved difficult to resolve by means of theoretical modelling. Major adjustments may be required to ensure the validity of such important data. There is a strong requirement for an international effort to explore and resolve these difficulties and recommend prompt fission neutron spectra and uncertainty covariance matrices for the actinides over the neutron energy range from thermal to 20 MeV. Participants also stressed that there would be a strong need for validation of the resulting data against integral critical assembly and dosimetry data. (author)

Rotating machinery surveillance system reduces plant downtime and radiation exposure

International Nuclear Information System (INIS)

Bohanick, J.S.; Robinson, J.C.; Allen, J.W.

1988-01-01

A rotating machinery surveillance system (RMSS) was permanently installed at Grand Gulf nuclear station (GGNS) as part of a program sponsored by the US Department of Energy whose goal was to reduce radiation exposure to power plant personnel resulting from the inspection, maintenance, and repair of rotating machinery. The RMSS was installed at GGNS in 1983 to continuously monitor 173 analog vibration signals from proximity probes mounted on 26 machine trains and ∼450 process data points via a computer data link. Vibration frequency spectra, i.e., the vibration amplitude versus frequency of vibration, and various characterizations of these spectra are the fundamental data collected by the RMSS for performing machinery diagnostics. The RMSS collects vibration frequency spectra on a daily basis for all the monitored rotating equipment and automatically stores the collected spectra for review by the vibration engineer. Vibration spectra automatically stored by the RMSS fall into categories that include the last normal, alarm, minimum and maximum, past three-day data set, baseline, current, and user-saved spectra. During first and second fuel-cycle operation at GGNS, several significant vibration problems were detected by the RMSS. Two of these are presented in this paper: recirculation pumps and turbine-generator bearing degradation. The total reduction in personnel radiation exposure at GGNS from 1985 to 1987 due to the presence of the RMSS was estimated to be in the range from 49 to 54 person-rem

Rotational Spectrum and Internal Rotation Barrier of 1-Chloro-1,1-difluoroethane

Science.gov (United States)

Alonso, José L.; López, Juan C.; Blanco, Susana; Guarnieri, Antonio

1997-03-01

The rotational spectra of 1-chloro-1,1-difluoroethane (HCFC-142b) has been investigated in the frequency region 8-115 GHz with Stark, waveguide Fourier transform (FTMW), and millimeter-wave spectrometers. Assignments in large frequency regions with the corresponding frequency measurements have been made for the ground andv18= 1 (CH3torsion) vibrational states of the35Cl isotopomer and for the ground state of the37Cl species. Accurate rotational, quartic centrifugal distortion, and quadrupole coupling constants have been determined from global fits considering all these states. SmallA-Einternal rotation splittings have been observed for thev18= 1 vibrational state using FTMW spectroscopy. The barrier height for the internal rotation of the methyl group has been determined to be 3751 (4) cal mol-1, in disagreement with the previous microwave value of 4400 (100) cal mol-1reported by G. Graner and C. Thomas [J. Chem. Phys.49,4160-4167 (1968)].

Effects of resolved boundary layer turbulence on near-ground rotation in simulated quasi-linear convective systems (QLCSs)

Science.gov (United States)

Nowotarski, C. J.

2017-12-01

Though most strong to violent tornadoes are associated with supercell thunderstorms, quasi-linear convective systems (QLCSs) pose a risk of tornadoes, often at times and locations where supercell tornadoes are less common. Because QLCS low-level mesocyclones and tornado signatures tend to be less coherent, forecasting such tornadoes remains particularly difficult. The majority of simulations of such storms rely on horizontally homogeneous base states lacking resolved boundary layer turbulence and surface fluxes. Previous work has suggested that heterogeneities associated with boundary layer turbulence in the form of horizontal convective rolls can influence the evolution and characteristics of low-level mesocyclones in supercell thunderstorms. This study extends methods for generating boundary layer convection to idealized simulations of QLCSs. QLCS simulations with resolved boundary layer turbulence will be compared against a control simulation with a laminar boundary layer. Effects of turbulence, the resultant heterogeneity in the near-storm environment, and surface friction on bulk storm characteristics and the intensity, morphology, and evolution of low-level rotation will be presented. Although maximum surface vertical vorticity values are similar, when boundary layer turbulence is included, a greater number of miso- and meso-scale vortices develop along the QLCS gust front. The source of this vorticity is analyzed using Eulerian decomposition of vorticity tendency terms and trajectory analysis to delineate the relative importance of surface friction and baroclinicity in generating QLCS vortices. The role of anvil shading in suppressing boundary layer turbulence in the near-storm environment and subsequent effects on QLCS vortices will also be presented. Finally, implications of the results regarding inclusion of more realistic boundary layers in future idealized simulations of deep convection will be discussed.

Metabolic profiling based on two-dimensional J-resolved 1H NMR data and parallel factor analysis

DEFF Research Database (Denmark)

Yilmaz, Ali; Nyberg, Nils T; Jaroszewski, Jerzy W.

2011-01-01

the intensity variances along the chemical shift axis are taken into account. Here, we describe the use of parallel factor analysis (PARAFAC) as a tool to preprocess a set of two-dimensional J-resolved spectra with the aim of keeping the J-coupling information intact. PARAFAC is a mathematical decomposition......-model was done automatically by evaluating amount of explained variance and core consistency values. Score plots showing the distribution of objects in relation to each other, and loading plots in the form of two-dimensional pseudo-spectra with the same appearance as the original J-resolved spectra...

Coherent spin-rotational dynamics of oxygen superrotors

Science.gov (United States)

Milner, Alexander A.; Korobenko, Aleksey; Milner, Valery

2014-09-01

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≈ 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≤slant 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-rotational coherence due to collisions is measured as a function of the molecular angular momentum and its dependence on the collisional adiabaticity parameter is discussed. We find that at high values of N, the rotational decoherence of oxygen is much faster than that of the previously studied non-magnetic nitrogen molecules, pointing at the effects of spin relaxation in paramagnetic gases.

Simultaneous analysis of rotational and vibrational-rotational spectra of DF and HF to obtain irreducible molecular constants for HF

International Nuclear Information System (INIS)

Horiai, Koui; Uehara, Hiromichi

2011-01-01

Graphical abstract: Available rotational and vibrational-rotational spectral lines of DF and HF are analyzed simultaneously using a non-Born-Oppenheimer effective Hamiltonian. Research highlights: → Simultaneous analysis of DF and HF spectral data. → Application of a non-Born-Oppenheimer effective Hamiltonian. → Twenty irreducible molecular constants for HF have been determined. - Abstract: Analytic expressions of corrections for the breakdown of the Born-Oppenheimer approximation to Dunham's Y ij with optimal parameters, i.e., determinable clusters of expansion coefficients, are applied to a data analysis of the rotational and vibrational-rotational transitions of HF reported in the literature. All the available spectral lines of the two isotopologues, DF and HF, are simultaneously fitted to a single set of molecular parameters of HF within experimental errors. Fitting of a data set of 595 spectral transitions for DF and HF has generated only 20 minimal independent parameter values, i.e., 'irreducible' molecular constants of HF, that are sufficient to precisely generate 82 Y ij coefficients and 144 band constants in total: 41 Y ij and 72 band constants each for DF and HF.

Plasma-liquid system with rotational gliding discharge with liquid electrode

International Nuclear Information System (INIS)

Nedybaliuk, O.A.; Solomenko, O.V; Martysh, E.V.; Fedirchuk, I.I.

2014-01-01

Plasma-liquid system based on rotational gliding discharge with one liquid electrode was developed. Emission spectra of plasma of rotational gliding discharge with one liquid electrode were investigated. Discovered effective mechanism of controlling non-isothermal level of plasma in dynamic plasma-liquid systems. Major mechanism of expulsion of metal anode material from plasma-liquid systems with rotational discharges was shown.

Sensitivity of reactor integral parameters to #betta##betta# parameter of resolved resonances of fertile isotopes and to the α values, in thermal and epithermal spectra

International Nuclear Information System (INIS)

Barroso, D.E.G.

1982-01-01

A sensitivity analysis of reactor integral parameter to more 10% variation in the resolved resonance parameters #betta##betta# of the fertile isotope and the variations of more 10% in the α values (#betta# sub(#betta#)/#betta# sub(f)) of fissile isotopes of PWR fuel elements, is done. The analysis is made with thermal and epithermal spectra, those last generated in a fuel cell with low V sub(M)/V sub(F). The HAMMER system, the interface programs HELP and LITHE and the HAMMER computer codes, were used as a base for this study. (E.G.) [pt

Rotation of the cosmic microwave background polarization from weak gravitational lensing.

Science.gov (United States)

Dai, Liang

2014-01-31

When a cosmic microwave background (CMB) photon travels from the surface of last scatter through spacetime metric perturbations, the polarization vector may rotate about its direction of propagation. This gravitational rotation is distinct from, and occurs in addition to, the lensing deflection of the photon trajectory. This rotation can be sourced by linear vector or tensor metric perturbations and is fully coherent with the curl deflection field. Therefore, lensing corrections to the CMB polarization power spectra as well as the temperature-polarization cross correlations due to nonscalar perturbations are modified. The rotation does not affect lensing by linear scalar perturbations, but needs to be included when calculations go to higher orders. We present complete results for weak lensing of the full-sky CMB power spectra by general linear metric perturbations, taking into account both deflection of the photon trajectory and rotation of the polarization. For the case of lensing by gravitational waves, we show that the B modes induced by the rotation largely cancel those induced by the curl component of deflection.

Rotational and vibrational synthetic spectra of linear parent molecules in comets

International Nuclear Information System (INIS)

Crovisier, J.

1987-01-01

We evaluate and model the excitation conditions of linear parent molecules in cometary atmospheres. The model is valid for most linear molecules without electronic angular momentum. It takes into account collisions and infrared excitation. The molecule rotational population distribution is computed as a function of distance to nucleus. The line intensities of the strongest parallel and perpendicular fundamental vibrational bands, as well as the pure rotational lines, can then be evaluated. This model is applied to several candidate parent molecules, for observing conditions corresponding to available or planned instruments, either ground-based or aboard aircrafts, satellites or space probes

Seismic diagnosis from gravity modes strongly affected by rotation

Science.gov (United States)

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

2017-10-01

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.

Molecular vibration-rotation spectra starting from the Fues potential

International Nuclear Information System (INIS)

Ley Koo, E.

1976-01-01

The solution of Schroedinger's equation for the Fues potential is analyzed and compared with the corresponding problems for the Coulomb, harmonic oscillator and molecular potentials. These comparisons allow us to emphasize certain pedagogical, conceptual and computational advantages of the Fues potential which make it a favorable alternative as the starting point in the analysis of molecular vibration-rotation and in the determination of potential energy curves. (author)

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.

Prospects for asteroseismology of rapidly rotating B-type stars

OpenAIRE

Saio, Hideyuki

2013-01-01

In rapidly rotating stars Coriolis forces and centrifugal deformations modify the properties of oscillations; the Coriolis force is important for low-frequency modes, while the centrifugal deformation affects mainly p-modes. Here, we discuss properties of g- and r-mode oscillations in rotating stars. Predicted frequency spectra of high-order g-modes (and r-modes) excited in rapidly rotating stars show frequency groupings associated with azimuthal order $m$. We compare such properties with obs...

Renner-Teller modelling of recent experimental spectra of H{sub 2}S{sup +}

Energy Technology Data Exchange (ETDEWEB)

Duxbury, Geoffrey [Department of Physics, SUPA, University of Strathclyde, John Anderson Building, 107 Rottenrow, Glagow G4 0NG, Scotland (United Kingdom)

2015-01-22

Recently there has been a renewal of interest in the spectroscopy and dynamics of the formation and fragmentation of the hydrogen sulphide ion, including. rotationally resolved spectra of higher vibrational states of the ∼A{sup 2}A{sub 1}−∼X{sup 2}B{sub 1} system than were obtained previously, and a comprehensive imaging study of the photo-fragmentation routes of highly excited H{sub 2}S{sup +}. In collaboration with Ch. Jungen and A. Alijah I have extended our previous l basis approach to the calculation of the effects of orbital angular momentum in H{sub 2}S{sup +} to include the stretch - bender extensions, with the options of using either the K- or l basis. This new code is being used to calculate the complicated orbital angular momentum and spin-orbit coupling effects responsible for the ro-vibronic pattern measured in some of the new experimental results.

The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes as seen in ECMWF analyses

Science.gov (United States)

Burgess, A. B. H.; Erler, A. R.; Shepherd, T. G.

2012-04-01

We present spectra, nonlinear interaction terms, and fluxes computed for horizontal wind fields from high-resolution meteorological analyses made available by ECMWF for the International Polar Year. Total kinetic energy spectra clearly show two spectral regimes: a steep spectrum at large scales and a shallow spectrum in the mesoscale. The spectral shallowing appears at ~200 hPa, and is due to decreasing rotational power with height, which results in the shallower divergent spectrum dominating in the mesoscale. The spectra we find are steeper than those observed in aircraft data and GCM simulations. Though the analyses resolve total spherical harmonic wavenumbers up to n = 721, effects of dissipation on the fluxes and spectra are visible starting at about n = 200. We find a weak forward energy cascade and a downscale enstrophy cascade in the mesoscale. Eddy-eddy nonlinear kinetic energy transfers reach maximum amplitudes at the tropopause, and decrease with height thereafter; zonal mean-eddy transfers dominate in the stratosphere. In addition, zonal anisotropy reaches a minimum at the tropopause. Combined with strong eddy-eddy interactions, this suggests flow in the tropopause region is very active and bears the greatest resemblance to isotropic turbulence. We find constant enstrophy flux over a broad range of wavenumbers around the tropopause and in the upper stratosphere. A relatively constant spectral enstrophy flux at the tropopause suggests a turbulent inertial range, and that the enstrophy flux is resolved. A main result of our work is its implications for explaining the shallow mesoscale spectrum observed in aircraft wind measurements, GCM studies, and now meteorological analyses. The strong divergent component in the shallow mesoscale spectrum indicates unbalanced flow, and nonlinear transfers decreasing quickly with height are characteristic of waves, not turbulence. Together with the downscale flux of energ y through the shallow spectral range, these

NGC 1866: First Spectroscopic Detection of Fast-rotating Stars in a Young LMC Cluster

Energy Technology Data Exchange (ETDEWEB)

Dupree, A. K.; Dotter, A.; Johnson, C. I. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Marino, A. F.; Milone, A. P. [Australian National University, The Research School of Astronomy and Astrophysics, Mount Stromlo Observatory, Weston Creek, ACT 2611 (Australia); Bailey, J. I. III [Leiden Observatory, Niels Bohrweg 2, NL-2333 CA Leiden (Netherlands); Crane, J. D. [The Observatories of the Carnegie Institution for Science, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Mateo, M. [Department of Astronomy, University of Michigan, Ann Arbor, MI 48109 (United States); Olszewski, E. W. [The University of Arizona, 933 N. Cherry Avenue, Tucson, AZ 85721 (United States)

2017-09-01

High-resolution spectroscopic observations were taken of 29 extended main-sequence turnoff (eMSTO) stars in the young (∼200 Myr) Large Magellanic Cloud (LMC) cluster, NGC 1866, using the Michigan/ Magellan Fiber System and MSpec spectrograph on the Magellan -Clay 6.5 m telescope. These spectra reveal the first direct detection of rapidly rotating stars whose presence has only been inferred from photometric studies. The eMSTO stars exhibit H α emission (indicative of Be-star decretion disks), others have shallow broad H α absorption (consistent with rotation ≳150 km s{sup −1}), or deep H α core absorption signaling lower rotation velocities (≲150 km s{sup −1}). The spectra appear consistent with two populations of stars—one rapidly rotating, and the other, younger and slowly rotating.

SPATIALLY RESOLVED SPECTROSCOPY OF EUROPA’S LARGE-SCALE COMPOSITIONAL UNITS AT 3–4 μ m WITH KECK NIRSPEC

Energy Technology Data Exchange (ETDEWEB)

Fischer, P. D.; Brown, M. E.; Trumbo, S. K. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States); Hand, K. P., E-mail: pfischer@caltech.edu [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States)

2017-01-01

We present spatially resolved spectroscopic observations of Europa’s surface at 3–4 μ m obtained with the near-infrared spectrograph and adaptive optics system on the Keck II telescope. These are the highest quality spatially resolved reflectance spectra of Europa’s surface at 3–4 μ m. The observations spatially resolve Europa’s large-scale compositional units at a resolution of several hundred kilometers. The spectra show distinct features and geographic variations associated with known compositional units; in particular, large-scale leading hemisphere chaos shows a characteristic longward shift in peak reflectance near 3.7 μ m compared to icy regions. These observations complement previous spectra of large-scale chaos, and can aid efforts to identify the endogenous non-ice species.

Nuclear squid: Diabolic pair transfer in rotating nuclei

Energy Technology Data Exchange (ETDEWEB)

Nikam, R S; Ring, P; Canto, L F

1987-02-19

A new unexpected behavior of pair transfer matrix elements in superfluid rotating nuclei is predicted. With increasing angular velocity they drop to zero, change their sign and in some cases even oscillate between positive and negative values. This effect is related to diabolical points in rotating quasiparticle spectra and is closely analogous to the DC-Josephson effect in superconductors in the presence of a magnetic field.

Programming for time resolved spectrum in pulse radiolysis experiments

International Nuclear Information System (INIS)

Betty, C.A.; Panajkar, M.S.; Shirke, N.D.

1993-01-01

A user friendly program in Pascal has been developed for data acquisition and subsequent processing of time resolved spectra of transient species produced in pulse radiolysis experiments. The salient features of the program are (i) thiocyanate dosimetry and (ii) spectrum acquisition. The thiocyanate dosimetry is carried out to normalize experimental conditions to a standard value as determined by computing absorbance of the transient signal CNS -2 that is produced from thiocyanate solution by a 7 MeV electron pulse. Spectrum acquisition allows the acquisition of the time resolved data at 20 different times points and subsequent display of the plots of absorbance vs. wavelength for the desired time points during the experiment. It is also possible to plot single time point spectrum as well as superimposed spectra for different time points. Printing, editing and merging facilities are also provided. (author). 2 refs., 7 figs

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.

Resonance rotational level crossing in the fluorosulfate radical FSO3rad and experimental determination of the rotational A and the centrifugal distortion DK constants

Science.gov (United States)

Kolesniková, Lucie; Koucký, Jan; Kania, Patrik; Uhlíková, Tereza; Beckers, Helmut; Urban, Štěpán

2018-01-01

The resonance crossing of rotational levels with different fine-structure components and different k rotational quantum numbers was observed in the rotational spectra of the symmetric top fluorosulfate radical FSO3rad. Detailed measurements were performed to analyze these weak resonances as well as the A1-A2 splittings of the K = 3 and K = 6 transitions. The resonance level crossing enabled the experimental determination of "forbidden" parameters, the rotational A and the centrifugal distortion DK constants as well as the corresponding resonance off-diagonal matrix element.

SpectraPLOT, Visualization Package with a User-Friendly Graphical Interface

Science.gov (United States)

Sebald, James; Macfarlane, Joseph; Golovkin, Igor

2017-10-01

SPECT3D is a collisional-radiative spectral analysis package designed to compute detailed emission, absorption, or x-ray scattering spectra, filtered images, XRD signals, and other synthetic diagnostics. The spectra and images are computed for virtual detectors by post-processing the results of hydrodynamics simulations in 1D, 2D, and 3D geometries. SPECT3D can account for a variety of instrumental response effects so that direct comparisons between simulations and experimental measurements can be made. SpectraPLOT is a user-friendly graphical interface for viewing a wide variety of results from SPECT3D simulations, and applying various instrumental effects to the simulated images and spectra. We will present SpectraPLOT's ability to display a variety of data, including spectra, images, light curves, streaked spectra, space-resolved spectra, and drilldown plasma property plots, for an argon-doped capsule implosion experiment example. Future SpectraPLOT features and enhancements will also be discussed.

Relativistic theory of nuclear spin-rotation tensor with kinetically balanced rotational London orbitals

Energy Technology Data Exchange (ETDEWEB)

Xiao, Yunlong; Zhang, Yong; Liu, Wenjian, E-mail: liuwjbdf@gmail.com [Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, and Center for Computational Science and Engineering, Peking University, Beijing 100871 (China)

2014-10-28

Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same “direct relativistic mapping” between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].

Spin-Rotation Hyperfine Splittings at Moderate to High J Values in Methanol

Science.gov (United States)

Xu, Li-Hong; Hougen, Jon T.; Belov, Sergey; Golubiatnikov, G. Yu; Lapinov, Alexander; Ilyushin, V.; Alekseev, E. A.; Mescheryakov, A. A.

2015-06-01

In this talk we present a possible explanation, based on torsionally mediated proton-spin-overall-rotation interaction operators, for the surprising observation in Nizhny Novgorod several years ago of doublets in some Lamb-dip sub-millimeter-wave transitions between torsion-rotation states of E symmetry in methanol. These observed doublet splittings, some as large as 70 kHz, were later confirmed by independent Lamb-dip measurements in Kharkov. In this talk we first show the observed J-dependence of the doublet splittings for two b-type Q branches (one from each laboratory), and then focus on our theoretical explanation. The latter involves three topics: (i) group theoretically allowed terms in the spin-rotation Hamiltonian, (ii) matrix elements of these terms between the degenerate components of torsion-rotation E states, calculated using wavefunctions from an earlier global fit of torsion-rotation transitions of methanol in the vt = 0, 1, and 2 states, and (iii) least-squares fits of coefficients of these terms to about 35 experimentally resolved doublet splittings in the quantum number ranges of K = -2 to +2, J = 13 to 34, and vt = 0. Rather pleasing residuals are obtained for these doublet splittings, and a number of narrow transitions, in which no doublet splitting could be detected, are also in agreement with predictions from the theory. Some remaining disagreements between experiment and the present theoretical explanation will be mentioned. G. Yu. Golubiatnikov, S. P. Belov, A. V. Lapinov, "CH_3OH Sub-Doppler Spectroscopy," (Paper MF04) and S.P. Belov, A.V. Burenin, G.Yu. Golubiatnikov, A.V. Lapinov, "What is the Nature of the Doublets in the E-Methanol Lamb-dip Spectra?" (Paper FB07), 68th International Symposium on Molecular Spectroscopy, Columbus, Ohio, June 2013. Li-Hong Xu, J. Fisher, R.M. Lees, H.Y. Shi, J.T. Hougen, J.C. Pearson, B.J. Drouin, G.A. Blake, R. Braakman, "Torsion-Rotation Global Analysis of the First Three Torsional States (vt = 0, 1, 2

Pattern recognition in spectra

International Nuclear Information System (INIS)

Gebran, M; Paletou, F

2017-01-01

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

Non-contact measurement of rotation angle with solo camera

Science.gov (United States)

Gan, Xiaochuan; Sun, Anbin; Ye, Xin; Ma, Liqun

2015-02-01

For the purpose to measure a rotation angle around the axis of an object, a non-contact rotation angle measurement method based on solo camera was promoted. The intrinsic parameters of camera were calibrated using chessboard on principle of plane calibration theory. The translation matrix and rotation matrix between the object coordinate and the camera coordinate were calculated according to the relationship between the corners' position on object and their coordinates on image. Then the rotation angle between the measured object and the camera could be resolved from the rotation matrix. A precise angle dividing table (PADT) was chosen as the reference to verify the angle measurement error of this method. Test results indicated that the rotation angle measurement error of this method did not exceed +/- 0.01 degree.

Energy-resolved attosecond interferometric photoemission from Ag(111) and Au(111) surfaces

Science.gov (United States)

Ambrosio, M. J.; Thumm, U.

2018-04-01

Photoelectron emission from solid surfaces induced by attosecond pulse trains into the electric field of delayed phase-coherent infrared (IR) pulses allows the surface-specific observation of energy-resolved electronic phase accumulations and photoemission delays. We quantum-mechanically modeled interferometric photoemission spectra from the (111) surfaces of Au and Ag, including background contributions from secondary electrons and direct emission by the IR pulse, and adjusted parameters of our model to energy-resolved photoelectron spectra recently measured at a synchrotron light source by Roth et al. [J. Electron Spectrosc. 224, 84 (2018), 10.1016/j.elspec.2017.05.008]. Our calculated spectra and photoelectron phase shifts are in fair agreement with the experimental data of Locher et al. [Optica 2, 405 (2015), 10.1364/OPTICA.2.000405]. Our model's not reproducing the measured energy-dependent oscillations of the Ag(111) photoemission phases may be interpreted as evidence for subtle band-structure effects on the final-state photoelectron-surface interaction not accounted for in our simulation.

Synthesis of optical holograms of rotating objects

International Nuclear Information System (INIS)

Bogdanova, T.V.; Titar', V.P.; Tomchuk, E.Ya.

1998-01-01

A method of synthesis of rotating objects is analyzed and its advantages over the previously known methods and restrictions caused by the nonlinear character of motion of objects being studied are determined. Numerical simulation is used to study properties of synthesized holograms and the images reconstructed with their help. The resolving power of synthesized holograms is determined. The pulsed response of the system used for the synthesis of rotating objects is studied and its isoplanar sections are determined. It is shown that in the optical range, in contrast to the radio-frequency range, one can synthesize holograms and reconstruct visual images not only of rotating objects, but of vibrating objects as well. For small angles of object rotation (0.0025 rad), an image with a high resolution power (0.0004 m) can be obtained

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.

BinMag: Widget for comparing stellar observed with theoretical spectra

Science.gov (United States)

Kochukhov, O.

2018-05-01

BinMag examines theoretical stellar spectra computed with Synth/SynthMag/Synmast/Synth3/SME spectrum synthesis codes and compare them to observations. An IDL widget program, BinMag applies radial velocity shift and broadening to the theoretical spectra to account for the effects of stellar rotation, radial-tangential macroturbulence, instrumental smearing. The code can also simulate spectra of spectroscopic binary stars by appropriate coaddition of two synthetic spectra. Additionally, BinMag can be used to measure equivalent width, fit line profile shapes with analytical functions, and to automatically determine radial velocity and broadening parameters. BinMag interfaces with the Synth3 (ascl:1212.010) and SME (ascl:1202.013) codes, allowing the user to determine chemical abundances and stellar atmospheric parameters from the observed spectra.

Simultaneous rotational and vibrational CARS generation through a multiple-frequency combination technique

International Nuclear Information System (INIS)

Alden, M.; Bengtsson, P.E.; Edner, H.

1987-01-01

One most promising laser technique for probing combustion processes is coherent anti-Stokes Raman scattering (CARS), which due to its coherent nature and signal strength is applied in several real-world applications. Until today almost all CARS experiments are based on probing the population of molecular vibrational energy levels. However, there are several reasons rotational CARS, i.e. probing of rotational energy levels, may provide a complement to or even a better choice than vibrational CARS. Recently an alternative way to produce rotational CARS spectra is proposed, which is based on a multiple-frequency combination technique. The energy-level diagram for this process is presented. Two dye laser beams at ω/sub r/, and one fix frequency laser beam at ω/sub g/ are employed. ω/sub r,1/ and ω/sub r,2/ are two frequencies of many possible pairs with a frequency difference matching a rotational transition in a molecule. The excitation induced by ω/sub r,1/ and ω/sub r,2/ is then scattered by the narrowband ω/sub g/ beam resulting in a CARS beam ω/sub g/ at ω/sub g/ + ω/sub r,1/ - ω/sub r,2/. An interesting feature with this technique is that it is possible to generate simultaneously a rotational and vibrational CARS spectrum by using a double-folded boxcars phase matching approach. The authors believe that the proposed technique for producing rotational and vibration CARS spectra could be of interest, e.g., when measuring in highly turbulent flows. In this case the rotational CARS spectra could use for temperature measurements in the cooler parts, whereas vibrational CARS are to be preferred when measuring in the hotter parts

Rotational and divergent kinetic energy in the mesoscale model ALADIN

Directory of Open Access Journals (Sweden)

V. Blažica

2013-03-01

Full Text Available Kinetic energy spectra from the mesoscale numerical weather prediction (NWP model ALADIN with horizontal resolution 4.4 km are split into divergent and rotational components which are then compared at horizontal scales below 300 km and various vertical levels. It is shown that about 50% of kinetic energy in the free troposphere in ALADIN is divergent energy. The percentage increases towards 70% near the surface and in the upper troposphere towards 100 hPa. The maximal percentage of divergent energy is found at stratospheric levels around 100 hPa and at scales below 100 km which are not represented by the global models. At all levels, the divergent energy spectra are characterised by shallower slopes than the rotational energy spectra, and the difference increases as horizontal scales become larger. A very similar vertical distribution of divergent energy is obtained by using the standard ALADIN approach for the computation of spectra based on the extension zone and by applying detrending approach commonly used in mesoscale NWP community.

Spatially-resolved luminescence spectroscopy of CdSe quantum dots synthesized in ionic liquid crystal matrices

Energy Technology Data Exchange (ETDEWEB)

Magaryan, K.A., E-mail: xmagaros@gmail.com [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Mikhailov, M.A. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Karimullin, K.R. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); E.K. Zavoyski Kazan Physical-Technical Institute of RAS, 10/7 Sibirski trakt Str., Kazan 420029 (Russian Federation); Knyazev, M.V.; Eremchev, I.Y. [Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); Naumov, A.V. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Institute for Spectroscopy of RAS, 5 Fizicheskaya Str., Troitsk, Moscow 142190 (Russian Federation); Vasilieva, I.A. [Moscow State Pedagogical University, 29 Malaya Pirogovskaya Str., Moscow 119992 (Russian Federation); Klimusheva, G.V. [Institute of Physics, NAS of Ukraine, 46 Prospect Nauki, Kiev 03028 (Ukraine)

2016-01-15

The paper is devoted to investigation of luminescence properties of new quantum dot (QD)-doped materials. We studied CdSe QDs (1.8 nm and 2.3 nm) grown inside of a liquid crystalline cadmium alcanoate matrix. Temperature dependence of parameters of fluorescence spectra obtained in a wide temperature range using epi-luminescence microscopy technique was analyzed. Spatially-resolved luminescence images were measured for the areas of the samples of 150×150 µm{sup 2}. Strong correlation between fluorescence spectra and sample structure was observed. - Highlights: • Glassy matrix with CdSe quantum dots inside fabricated in liquid crystalline mesophase. • Study of luminescence properties in a wide range of low temperatures. • Strong dependence of the luminescence spectra on spatial inhomogeneities. • Spatially-resolved luminescence imaging of quantum dots in liquid crystalline matrix.

Spatially-resolved luminescence spectroscopy of CdSe quantum dots synthesized in ionic liquid crystal matrices

International Nuclear Information System (INIS)

Magaryan, K.A.; Mikhailov, M.A.; Karimullin, K.R.; Knyazev, M.V.; Eremchev, I.Y.; Naumov, A.V.; Vasilieva, I.A.; Klimusheva, G.V.

2016-01-01

The paper is devoted to investigation of luminescence properties of new quantum dot (QD)-doped materials. We studied CdSe QDs (1.8 nm and 2.3 nm) grown inside of a liquid crystalline cadmium alcanoate matrix. Temperature dependence of parameters of fluorescence spectra obtained in a wide temperature range using epi-luminescence microscopy technique was analyzed. Spatially-resolved luminescence images were measured for the areas of the samples of 150×150 µm 2 . Strong correlation between fluorescence spectra and sample structure was observed. - Highlights: • Glassy matrix with CdSe quantum dots inside fabricated in liquid crystalline mesophase. • Study of luminescence properties in a wide range of low temperatures. • Strong dependence of the luminescence spectra on spatial inhomogeneities. • Spatially-resolved luminescence imaging of quantum dots in liquid crystalline matrix.

Pilot Assessment of Brain Metabolism in Perinatally HIV-Infected Youths Using Accelerated 5D Echo Planar J-Resolved Spectroscopic Imaging.

Science.gov (United States)

Iqbal, Zohaib; Wilson, Neil E; Keller, Margaret A; Michalik, David E; Church, Joseph A; Nielsen-Saines, Karin; Deville, Jaime; Souza, Raissa; Brecht, Mary-Lynn; Thomas, M Albert

2016-01-01

To measure cerebral metabolite levels in perinatally HIV-infected youths and healthy controls using the accelerated five dimensional (5D) echo planar J-resolved spectroscopic imaging (EP-JRESI) sequence, which is capable of obtaining two dimensional (2D) J-resolved spectra from three spatial dimensions (3D). After acquisition and reconstruction of the 5D EP-JRESI data, T1-weighted MRIs were used to classify brain regions of interest for HIV patients and healthy controls: right frontal white (FW), medial frontal gray (FG), right basal ganglia (BG), right occipital white (OW), and medial occipital gray (OG). From these locations, respective J-resolved and TE-averaged spectra were extracted and fit using two different quantitation methods. The J-resolved spectra were fit using prior knowledge fitting (ProFit) while the TE-averaged spectra were fit using the advanced method for accurate robust and efficient spectral fitting (AMARES). Quantitation of the 5D EP-JRESI data using the ProFit algorithm yielded significant metabolic differences in two spatial locations of the perinatally HIV-infected youths compared to controls: elevated NAA/(Cr+Ch) in the FW and elevated Asp/(Cr+Ch) in the BG. Using the TE-averaged data quantified by AMARES, an increase of Glu/(Cr+Ch) was shown in the FW region. A strong negative correlation (r 0.6) were shown between Asp/(Cr+Ch) and CD4 counts in the FG and BG. The complimentary results using ProFit fitting of J-resolved spectra and AMARES fitting of TE-averaged spectra, which are a subset of the 5D EP-JRESI acquisition, demonstrate an abnormal energy metabolism in the brains of perinatally HIV-infected youths. This may be a result of the HIV pathology and long-term combinational anti-retroviral therapy (cART). Further studies of larger perinatally HIV-infected cohorts are necessary to confirm these findings.

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

Polarization of electron cyclotron emission spectra in LHD

International Nuclear Information System (INIS)

Vries, P.C. de; Nagayama, Y.; Kawahata, K.; Inagaki, S.; Sasao, H.; Nagasaki, K.

1999-07-01

Electron cyclotron emission (ECE) can be used to determine the electron temperature profile in magnetized plasmas. The complex structure of the magnetic field configuration in the Large Helical Device (LHD), which has a large shear, complicates the analysis of the ECE spectrum. In a sheared magnetic field the propagation of X and O-mode polarization through the plasma are coupled, causing mode conversion and polarization rotation. Mode scrambling is also caused by wall reflections. In this report, this mode conversion in LHD is numerically analyzed. It was found that at low density mode conversion scrambles the ECE spectra. However, at higher density (n eo > 1.0·10 19 m -3 ) the polarization mode is found to rotate with the sheared magnetic field, yielding only a negligible mode conversion. Wall reflections are found to depolarize the ECE spectrum. Notwithstanding the LHD magnetic configuration, it is shown that temperature profiles could be revealed from the ECE spectra. (author)

VARIABILITY IN OPTICAL SPECTRA OF ε ORIONIS

International Nuclear Information System (INIS)

Thompson, Gregory B.; Morrison, Nancy D.

2013-01-01

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

The effect of Demkov coupling in the rotational predissociation of 3He4He+, ch. 4

International Nuclear Information System (INIS)

Asselt, N.P.F.B. van; Maas, J.G.; Los, J.

1976-01-01

The momentum distribution of the 3 He + and the 4 He + fragments, both originating from rotational predissociation of 3 He 4 He + has been measured. There is a pronounced difference between the intensity distributions in both spectra. This difference is explained as the result of a Demkov coupling between the two lowest electronic states of the molecular ion. The rotational quantum numbers of the states involved are calculated from the spectra

Postoperative stiff shoulder after open rotator cuff repair: a 3- to 20-year follow-up study.

Science.gov (United States)

Vastamäki, H; Vastamäki, M

2014-12-01

Stiffness after a rotator cuff tear is common. So is stiffness after an arthroscopic rotator cuff repair. In the literature, however, postoperative restriction of passive range of motion after open rotator cuff repair in shoulders with free passive range of motion at surgery has seldom been recognized. We hypothesize that this postoperative stiffness is more frequent than recognized and slows the primary postoperative healing after a rotator cuff reconstruction. We wondered how common is postoperative restriction of both active and passive range of motion after open rotator cuff repair in shoulders with free passive preoperative range of motion, how it recovers, and whether this condition influences short- and long-term results of surgery. We also explored factors predicting postoperative shoulder stiffness. We retrospectively identified 103 postoperative stiff shoulders among 416 consecutive open rotator cuff repairs, evaluating incidence and duration of stiffness, short-term clinical results and long-term range of motion, pain relief, shoulder strength, and functional results 3-20 (mean 8.7) years after surgery in 56 patients. The incidence of postoperative shoulder stiffness was 20%. It delayed primary postoperative healing by 3-6 months and resolved during a mean 6.3 months postoperatively. External rotation resolved first, corresponding to that of the controls at 3 months; flexion and abduction took less than 1 year after surgery. The mean summarized range of motion (flexion + abduction + external rotation) increased as high as 93% of the controls' range of motion by 6 months and 100% by 1 year. Flexion, abduction, and internal rotation improved to the level of the contralateral shoulders as did pain, strength, and function. Age at surgery and condition of the biceps tendon were related to postoperative stiffness. Postoperative stiff shoulder after open rotator cuff repair is a common complication resolving in 6-12 months with good long-term results. © The

Energy spectra of vibron and cluster models in molecular and nuclear systems

Science.gov (United States)

Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

2018-03-01

The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.

Science.gov (United States)

Falge, Mirjam; Fröbel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie

2017-08-02

If the adiabatic approximation is valid, electrons smoothly adapt to molecular geometry changes. In contrast, as a characteristic of diabatic dynamics, the electron density does not follow the nuclear motion. Recently, we have shown that the asymmetry in time-resolved photoelectron spectra serves as a tool to distinguish between these dynamics [Falge et al., J. Phys. Chem. Lett., 2012, 3, 2617]. Here, we investigate the influence of an additional, moderately intense infrared (IR) laser field, as often applied in attosecond time-resolved experiments, on such asymmetries. This is done using a simple model for coupled electronic-nuclear motion. We calculate time-resolved photoelectron spectra and their asymmetries and demonstrate that the spectra directly map the bound electron-nuclear dynamics. From the asymmetries, we can trace the IR field-induced population transfer and both the field-driven and intrinsic (non-)adiabatic dynamics. This holds true when considering superposition states accompanied by electronic coherences. The latter are observable in the asymmetries for sufficiently short XUV pulses to coherently probe the coupled states. It is thus documented that the asymmetry is a measure for phases in bound electron wave packets and non-adiabatic dynamics.

High-resolution K-shell spectra from laser excited molybdenum plasmas

Directory of Open Access Journals (Sweden)

Szabo C.I.

2013-11-01

Full Text Available X-ray spectra from Molybdenum plasmas were recorded by a Cauchois-type cylindrically bent Transmission Crystal Spectrometer (TCS. The absolutely calibrated spectrometer provides an unprecedented resolution of inner shell transitions (K x-ray radiation. This tool allows us to resolve individual lines from different charge states existing inside the laser-produced plasma. The inner shell transitions from highly charged Molybdenum shown in this report have never been resolved before in such detail in a laser-produced plasma.

Flare stars of the Orion Nebula - spectra of an outburst

International Nuclear Information System (INIS)

Carter, B.D.; O'Mara, B.J.; Ross, J.E.

1988-01-01

For the first time, detailed, time-resolved spectra of a flare event of an Orion cluster flare star are presented. These spectra, covering ∼ λλ3600-4600, were obtained by using the Anglo-Australian Telescope with a fibre coupler to simultaneously monitor 23 flare stars in the region of the Orion Nebula. The flare spectra reveal continuous emission which filled in the photospheric Ca I 4226 A absorption, and hydrogen Balmer, Ca II H and K, He I 4026 A and He I 4471 A line emission. Overall, the spectral behaviour indicates similarities to strong outbursts of the classical dMe flare stars. (author)

Rotation and rotation-vibration spectroscopy of the 0+-0- inversion doublet in deuterated cyanamide.

Science.gov (United States)

Kisiel, Zbigniew; Kraśnicki, Adam; Jabs, Wolfgang; Herbst, Eric; Winnewisser, Brenda P; Winnewisser, Manfred

2013-10-03

The pure rotation spectrum of deuterated cyanamide was recorded at frequencies from 118 to 649 GHz, which was complemented by measurement of its high-resolution rotation-vibration spectrum at 8-350 cm(-1). For D2NCN the analysis revealed considerable perturbations between the lowest Ka rotational energy levels in the 0(+) and 0(-) substates of the lowest inversion doublet. The final data set for D2NCN exceeded 3000 measured transitions and was successfully fitted with a Hamiltonian accounting for the 0(+) ↔ 0(-) coupling. A smaller data set, consisting only of pure rotation and rotation-vibration lines observed with microwave techniques was obtained for HDNCN, and additional transitions of this type were also measured for H2NCN. The spectroscopic data for all three isotopic species were fitted with a unified, robust Hamiltonian allowing confident prediction of spectra well into the terahertz frequency region, which is of interest to contemporary radioastronomy. The isotopic dependence of the determined inversion splitting, ΔE = 16.4964789(8), 32.089173(3), and 49.567770(6) cm(-1), for D2NCN, HDNCN, and H2NCN, respectively, is found to be in good agreement with estimates from a simple reduced quartic-quadratic double minimum potential.

A Study of Charge-Exchange Neutrals from a Rotating Plasma

DEFF Research Database (Denmark)

Jørgensen, L. W.; Sillesen, Alfred Hegaard

1980-01-01

Measurements of charge-exchange neutrals leaving a rotating plasma (a puffatron device) are reported. Neutrals are observed only during the breakdown phase (2-3 mu s) indicating that the created plasma is fully ionized. Several energy spectra of the neutrals for different plasma parameters are ob....... Neutral particle measurements at different distances from the puffatron midplane show ionization velocities parallel with the magnetic field of about 2*104 ms-1 and plasma expansion velocities of about 5-6*104 ms-1 corresponding to an electron temperature of about 25 eV.......Measurements of charge-exchange neutrals leaving a rotating plasma (a puffatron device) are reported. Neutrals are observed only during the breakdown phase (2-3 mu s) indicating that the created plasma is fully ionized. Several energy spectra of the neutrals for different plasma parameters...... are obtained. These spectra are grossly explained using a single-particle orbit model of the plasma ions. Assuming a Maxwellian distribution for the spread in the ion Larmor energy for the central part of the measured energy spectra, it is possible to determine the ion energy during the breakdown phase...

Covariance J-resolved spectroscopy: Theory and application in vivo.

Science.gov (United States)

Iqbal, Zohaib; Verma, Gaurav; Kumar, Anand; Thomas, M Albert

2017-08-01

Magnetic resonance spectroscopy (MRS) is a powerful tool capable of investigating the metabolic status of several tissues in vivo. In particular, single-voxel-based 1 H spectroscopy provides invaluable biochemical information from a volume of interest (VOI) and has therefore been used in a variety of studies. Unfortunately, typical one-dimensional MRS data suffer from severe signal overlap and thus important metabolites are difficult to distinguish. One method that is used to disentangle overlapping resonances is the two-dimensional J-resolved spectroscopy (JPRESS) experiment. Due to the long acquisition duration of the JPRESS experiment, a limited number of points are acquired in the indirect dimension, leading to poor spectral resolution along this dimension. Poor spectral resolution is problematic because proper peak assignment may be hindered, which is why the zero-filling method is often used to improve resolution as a post-processing step. However, zero-filling leads to spectral artifacts, which may affect visualization and quantitation of spectra. A novel method utilizing a covariance transformation, called covariance J-resolved spectroscopy (CovJ), was developed in order to improve spectral resolution along the indirect dimension (F 1 ). Comparison of simulated data demonstrates that peak structures remain qualitatively similar between JPRESS and the novel method along the diagonal region (F 1 = 0 Hz), whereas differences arise in the cross-peak (F 1 ≠0 Hz) regions. In addition, quantitative results of in vivo JPRESS data acquired on a 3T scanner show significant correlations (r 2 >0.86, pCOVariance Spectral Evaluation of 1 H Acquisitions using Representative prior knowledge' (Cov-SEHAR), was developed in order to quantify γ-aminobutyric acid and glutamate from the CovJ spectra. These preliminary findings indicate that the CovJ method may be used to improve spectral resolution without hindering metabolite quantitation for J-resolved spectra

The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra

Energy Technology Data Exchange (ETDEWEB)

Vasilatou, K.; Michaud, J. M.; Baykusheva, D.; Grassi, G.; Merkt, F. [Laboratorium für Physikalische Chemie, ETH Zürich, CH-8093 Zurich (Switzerland)

2014-08-14

The cyclopropene radical cation (c-C{sub 3}H{sub 4}{sup +}) is an important but poorly characterized three-membered-ring hydrocarbon. We report on a measurement of the high-resolution photoelectron and photoionization spectra of cyclopropene and several deuterated isotopomers, from which we have determined the rovibrational energy level structure of the X{sup ~+} {sup 2}B{sub 2} ground electronic state of c-C{sub 3}H{sub 4}{sup +} at low energies for the first time. The synthesis of the partially deuterated isotopomers always resulted in mixtures of several isotopomers, differing in their number of D atoms and in the location of these atoms, so that the photoelectron spectra of deuterated samples are superpositions of the spectra of several isotopomers. The rotationally resolved spectra indicate a C{sub 2v}-symmetric R{sub 0} structure for the ground electronic state of c-C{sub 3}H{sub 4}{sup +}. Two vibrational modes of c-C{sub 3}H{sub 4}{sup +} are found to have vibrational wave numbers below 300 cm{sup −1}, which is surprising for such a small cyclic hydrocarbon. The analysis of the isotopic shifts of the vibrational levels enabled the assignment of the lowest-frequency mode (fundamental wave number of ≈110 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to the CH{sub 2} torsional mode (ν{sub 8}{sup +}, A{sub 2} symmetry) and of the second-lowest-frequency mode (≈210 cm{sup −1} in c-C{sub 3}H{sub 4}{sup +}) to a mode combining a CH out-of-plane with a CH{sub 2} rocking motion (ν{sub 15}{sup +}, B{sub 2} symmetry). The potential energy along the CH{sub 2} torsional coordinate is flat near the equilibrium structure and leads to a pronounced anharmonicity.

Computer simulation of molecular absorption spectra for asymmetric top molecules

International Nuclear Information System (INIS)

Bende, A.; Tosa, V.; Cosma, V.

2001-01-01

The effective Hamiltonian formalism has been used to develop a model for infrared multiple-photon absorption (IRMPA) process in asymmetric top molecules. Assuming a collisionless regime, the interaction between the molecule and laser field can be described by the time-dependent Schroedinger equation. By using the rotating wave approximation and Laplace transformation, the time-dependent problem reduces to a time-independent eigen problem for an effective Hamiltonian which can be solved only numerically for a real vibrational-rotational structure of polyatomic molecule. The vibrational-rotational structure is assumed to be an anharmonic oscillator coupled to an asymmetric rigid rotor. The main assumptions taken into account for this model are the following: (1) the excitation is coherent, i.e. the collision (if present during the laser pulse) does not influence the excitation; (2) the excitation starts from the ground state and is near resonant to a normal mode, thus, the rotating wave approximation can be applied; (3) after absorbing N photons the vibrational energy of the excited mode leak into a quasicontinuum; (4) the thermal population of the ground state is given by the Maxwell-Boltzmann distribution law. The energy levels of the asymmetric top molecules cannot be represented by an explicit formula analogous to that for the symmetric top, according to quantum mechanics, but we can consider it a deviation from the prolate or oblate case of the symmetric top, and we can find in the same manner the selection rules of the asymmetric case using the selection rules for the symmetric case. The infrared bands of asymmetric top molecules are not resolved, but if the dispersion used is not too small, so that the envelopes of the bands can be distinguished from simple maxima, it is possible to draw conclusions as to the type of the bands. In this case, the simulation of the absorption spectra can give us some important information about the types of these bands. In

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.

Time resolved Thomson scattering measurements on a high pressure mercury lamp

NARCIS (Netherlands)

Vries, de N.; Zhu, Xiao-Yan; Kieft, E.R.; Mullen, van der J.J.A.M.

2005-01-01

Time resolved Thomson scattering (TS) measurements have been performed on an ac driven high pressure mercury lamp. For this high intensity discharge (HID) lamp, TS is coherent and a coherent fitting routine, including rotational Raman calibration, was used to determine ne and Te from the measured

Spectroscopy of Molecules in Extreme Rotational States Using AN Optical Centrifuge

Science.gov (United States)

Mullin, Amy S.; Toro, Carlos; Echibiri, Geraldine; Liu, Qingnan

2012-06-01

Our lab has developed a high-power optical centrifuge that is capable of trapping and spinning large number densities of molecules into extreme rotational states. By coupling this device with high resolution transient IR absorption spectroscopy, we measure the time-resolved behavior and energy profiles of individual ro-vibrational states of molecules in very high rotational states. Recent results will be discussed on the spectroscopy of new rotational states, collisional dynamics in the optical centrifuge, spatially-dependent energy profiles and possibilities for new chemistry induced by centrifugal forces.

Time-resolved x-ray laser induced photoelectron spectroscopy of isochoric heated copper

International Nuclear Information System (INIS)

Nelson, A.J.; Dunn, J.; Hunter, J.; Widmann, K.

2005-01-01

Time-resolved x-ray photoelectron spectroscopy is used to probe the nonsteady-state evolution of the valence band electronic structure of laser heated ultrathin (50 nm) copper. A metastable phase is studied using a 527 nm wavelength 400 fs laser pulse containing 0.1-2.5 mJ laser energy focused in a large 500x700 μm 2 spot to create heated conditions of 0.07-1.8x10 12 W cm -2 intensity. Valence band photoemission spectra are presented showing the changing occupancy of the Cu 3d level with heating are presented. These picosecond x-ray laser induced time-resolved photoemission spectra of laser-heated ultrathin Cu foil show dynamic changes in the electronic structure. The ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials

[A new measurement method of time-resolved spectrum].

Science.gov (United States)

Shi, Zhi-gang; Huang, Shi-hua; Liang, Chun-jun; Lei, Quan-sheng

2007-02-01

A new method for measuring time-resolved spectrum (TRS) is brought forward. Programming with assemble language controlled the micro-control-processor (AT89C51), and a kind of peripheral circuit constituted the drive circuit, which drived the stepping motor to run the monochromator. So the light of different kinds of expected wavelength could be obtained. The optical signal was transformed to electrical signal by optical-to-electrical transform with the help of photomultiplier tube (Hamamatsu 1P28). The electrical signal of spectrum data was transmitted to the oscillograph. Connecting the two serial interfaces of RS232 between the oscillograph and computer, the electrical signal of spectrum data could be transmitted to computer for programming to draw the attenuation curve and time-resolved spectrum (TRS) of the swatch. The method for measuring time-resolved spectrum (TRS) features parallel measurement in time scale but serial measurement in wavelength scale. Time-resolved spectrum (TRS) and integrated emission spectrum of Tb3+ in swatch Tb(o-BBA)3 phen were measured using this method. Compared with the real time-resolved spectrum (TRS). It was validated to be feasible, credible and convenient. The 3D spectra of fluorescence intensity-wavelength-time, and the integrated spectrum of the swatch Tb(o-BBA)3 phen are given.

SUBMILLIMETER-WAVE ROTATIONAL SPECTROSCOPY OF H2F+

International Nuclear Information System (INIS)

Fujimori, R.; Kawaguchi, K.; Amano, T.

2011-01-01

Five pure rotational transitions of H 2 F + generated by a discharge in an HF/H 2 /Ar mixture were observed in the range 473-774 GHz with a backward-wave oscillator based submillimeter-wave spectrometer. A simultaneous analysis of the rotational lines with 120 combination differences for the ground state derived from the infrared spectra was carried out to determine the precise molecular constants for the ground state. The rotational transition frequencies that lie below 2 THz were calculated, together with their estimated uncertainties, to facilitate future astronomical identifications. The chemistry for H 2 F + formation in interstellar space is discussed in comparison with a case for recently detected H 2 Cl + .

A review of the analysis of complex time-resolved fluorescence anisotropy data

International Nuclear Information System (INIS)

Smith, Trevor A; Ghiggino, Kenneth P

2015-01-01

Time-resolved fluorescence anisotropy measurements (TRAMs) are widely used to probe the dynamics of the various processes that can lead to the depolarisation of emission following photoselection by polarised excitation. The most commonly investigated of these emission depolarising phenomena is molecular rotational motion, but TRAMs are very useful for determining the kinetics of a host of other processes. In this paper we review several examples for which we have observed in our laboratories initially unexpectedly complex temporal behaviour of the time-resolved fluorescence anisotropy signal from relatively ‘simple’ chemical systems. In certain circumstances the anisotropy (i) decays on timescales when superficially it might be thought it should remain constant, (ii) shows marked ‘dip and rise’ behaviour in its intensity, or (iii) can change sign as the anisotropy evolves in time. Fundamentally simple processes, including molecular rotational motion, energy migration and excited state photophysics, can cause such behaviour. (topical review)

Spatially resolved X-ray spectra of coronal active regions

International Nuclear Information System (INIS)

Catura, R.C.; Acton, L.W.; Joki, E.G.; Rapley, C.G.; Culhane, J.L.

1975-01-01

X-ray spectra from a number of coronal active regions were obtained during ATM support rocket flights carried out by the Lockheed group on June 11 and December 19, 1973. Multi-grid collimators were used to provide fields of view of 40ins. diameter and 90ins. diameter for a number of scanning crystal spectrometers and a bent crystal spectrometer which employed a position sensitive proportional counter to register the diffracted spectrum. A solar image was produced on film and on a TV camera on board the rocket with the aid of a 1 A Hα filter. A small part of the X-ray collimator was used to generate a multiple spot diffraction pattern which was superimposed on the Hα image and the composite picture was transmitted to the ground. Pre-launch calibrations allowed the spot corresponding to the X-ray collimator axis to be identified and so the collimator pointing direction on the solar disc was controlled from the ground by means of commands sent to the rocket. (Auth.)

B0 insensitive multiple-quantum resolved sodium imaging using a phase-rotation scheme

Science.gov (United States)

Fiege, Daniel P.; Romanzetti, Sandro; Tse, Desmond H. Y.; Brenner, Daniel; Celik, Avdo; Felder, Jörg; Jon Shah, N.

2013-03-01

Triple-quantum filtering has been suggested as a mechanism to differentiate signals from different physiological compartments. However, the filtering method is sensitive to static field inhomogeneities because different coherence pathways may interfere destructively. Previously suggested methods employed additional phase-cycles to separately acquire pathways. Whilst this removes the signal dropouts, it reduces the signal-to-noise per unit time. In this work we suggest the use of a phase-rotation scheme to simultaneously acquire all coherence pathways and then separate them via Fourier transform. Hence the method yields single-, double- and triple-quantum filtered images. The phase-rotation requires a minimum of 36 instead of six cycling steps. However, destructive interference is circumvented whilst maintaining full signal-to-noise efficiency for all coherences.

Calculation of restricted rotational states in the methyl group

CERN Document Server

Ozaki, Y

2002-01-01

A methyl group attached to a molecule in the solid phase has a certain amount of hindrance in its rotational motion. The rotational potential can usually be expressed by the 3rd-order and the 6th-order terms of periodic functions. In the intermediate region with respect to the field strength and also the degree of mixing of two components, much variety appears in the structure of the rotational energy levels. The energy values correspond to the various molecular surroundings. The matrix elements are also derived, which yield the intensity of inelastic neutron scattering spectra. One example of calculated intensities is given. (orig.)

a Chiral Tagging Strategy for Determining Absolute Configuration and Enantiomeric Excess by Molecular Rotational Spectroscopy

Science.gov (United States)

Evangelisti, Luca; Caminati, Walther; Patterson, David; Thomas, Javix; Xu, Yunjie; West, Channing; Pate, Brooks

2017-06-01

The introduction of three wave mixing rotational spectroscopy by Patterson, Schnell, and Doyle [1,2] has expanded applications of molecular rotational spectroscopy into the field of chiral analysis. Chiral analysis of a molecule is the quantitative measurement of the relative abundances of all stereoisomers of the molecule and these include both diastereomers (with distinct molecular rotational spectra) and enantiomers (with equivalent molecular rotational spectra). This work adapts a common strategy in chiral analysis of enantiomers to molecular rotational spectroscopy. A "chiral tag" is attached to the molecule of interest by making a weakly bound complex in a pulsed jet expansion. When this tag molecule is enantiopure, it will create diastereomeric complexes with the two enantiomers of the molecule being analyzed and these can be differentiated by molecule rotational spectroscopy. Identifying the structure of this complex, with knowledge of the absolute configuration of the tag, establishes the absolute configuration of the molecule of interest. Furthermore, the diastereomer complex spectra can be used to determine the enantiomeric excess of the sample. The ability to perform chiral analysis will be illustrated by a study of solketal using propylene oxide as the tag. The possibility of using current methods of quantum chemistry to assign a specific structure to the chiral tag complex will be discussed. Finally, chiral tag rotational spectroscopy offers a "gold standard" method for determining the absolute configuration of the molecule through determination of the substitution structure of the complex. When this measurement is possible, rotational spectroscopy can deliver a quantitative three dimensional structure of the molecule with correct stereochemistry as the analysis output. [1] David Patterson, Melanie Schnell, John M. Doyle, Nature 497, 475 (2013). [2] David Patterson, John M. Doyle, Phys. Rev. Lett. 111, 023008 (2013).

HIGH RESOLUTION OPTICAL AND NIR SPECTRA OF HBC 722

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeong-Eun; Park, Sunkyung [School of Space Research, Kyung Hee University, 1732 Deogyeong-daero, Giheung-gu, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of); Green, Joel D.; Cochran, William D. [Department of Astronomy, University of Texas at Austin, TX (United States); Kang, Wonseok; Lee, Sang-Gak [National Youth Space Center, 200 Deokheungyangjjok-gil, Dongil-myeon, Goheung-gun, Jeollanam-do 548-951 (Korea, Republic of); Sung, Hyun-Il, E-mail: jeongeun.lee@khu.ac.kr, E-mail: sunkyung@khu.ac.kr, E-mail: joel@astro.as.utexas.edu, E-mail: wdc@astro.as.utexas.edu, E-mail: wskang@kywa.or.kr, E-mail: sanggak@kywa.or.kr, E-mail: hisung@kasi.re.kr [Korea Astronomy and Space Science Institute, 776 Daedeok-daero, Yuseong-gu, Daejeon 305-348 (Korea, Republic of)

2015-07-01

We present the results of high resolution (R ≥ 30,000) optical and near-IR spectroscopic monitoring observations of HBC 722, a recent FU Orionis object that underwent an accretion burst in 2010. We observed HBC 722 in the optical/near-IR with the Bohyunsan Optical Echelle Spectrograph, Hobby–Eberly Telescope-HRS, and Immersion Grating Infrared Spectrograph, at various points in the outburst. We found atomic lines with strongly blueshifted absorption features or P Cygni profiles, both evidence of a wind driven by the accretion. Some lines show a broad double-peaked absorption feature, evidence of disk rotation. However, the wind-driven and disk-driven spectroscopic features are anti-correlated in time; the disk features became strong as the wind features disappeared. This anti-correlation might indicate that the rebuilding of the inner disk was interrupted by the wind pressure during the first 2 years. The half-width at half-depth of the double-peaked profiles decreases with wavelength, indicative of the Keplerian rotation; the optical spectra with the disk feature are fitted by a G5 template stellar spectrum convolved with a rotation velocity of 70 km s{sup −1} while the near-IR disk features are fitted by a K5 template stellar spectrum convolved with a rotation velocity of 50 km s{sup −1}. Therefore, the optical and near-IR spectra seem to trace the disk at 39 and 76 R{sub ⊙}, respectively. We fit a power-law temperature distribution in the disk, finding an index of 0.8, comparable to optically thick accretion disk models.

A simple approach to spectrally resolved fluorescence and bright field microscopy over select regions of interest.

Science.gov (United States)

Dahlberg, Peter D; Boughter, Christopher T; Faruk, Nabil F; Hong, Lu; Koh, Young Hoon; Reyer, Matthew A; Shaiber, Alon; Sherani, Aiman; Zhang, Jiacheng; Jureller, Justin E; Hammond, Adam T

2016-11-01

A standard wide field inverted microscope was converted to a spatially selective spectrally resolved microscope through the addition of a polarizing beam splitter, a pair of polarizers, an amplitude-mode liquid crystal-spatial light modulator, and a USB spectrometer. The instrument is capable of simultaneously imaging and acquiring spectra over user defined regions of interest. The microscope can also be operated in a bright-field mode to acquire absorption spectra of micron scale objects. The utility of the instrument is demonstrated on three different samples. First, the instrument is used to resolve three differently labeled fluorescent beads in vitro. Second, the instrument is used to recover time dependent bleaching dynamics that have distinct spectral changes in the cyanobacteria, Synechococcus leopoliensis UTEX 625. Lastly, the technique is used to acquire the absorption spectra of CH 3 NH 3 PbBr 3 perovskites and measure differences between nanocrystal films and micron scale crystals.

A simple approach to spectrally resolved fluorescence and bright field microscopy over select regions of interest

Science.gov (United States)

Dahlberg, Peter D.; Boughter, Christopher T.; Faruk, Nabil F.; Hong, Lu; Koh, Young Hoon; Reyer, Matthew A.; Shaiber, Alon; Sherani, Aiman; Zhang, Jiacheng; Jureller, Justin E.; Hammond, Adam T.

2016-11-01

A standard wide field inverted microscope was converted to a spatially selective spectrally resolved microscope through the addition of a polarizing beam splitter, a pair of polarizers, an amplitude-mode liquid crystal-spatial light modulator, and a USB spectrometer. The instrument is capable of simultaneously imaging and acquiring spectra over user defined regions of interest. The microscope can also be operated in a bright-field mode to acquire absorption spectra of micron scale objects. The utility of the instrument is demonstrated on three different samples. First, the instrument is used to resolve three differently labeled fluorescent beads in vitro. Second, the instrument is used to recover time dependent bleaching dynamics that have distinct spectral changes in the cyanobacteria, Synechococcus leopoliensis UTEX 625. Lastly, the technique is used to acquire the absorption spectra of CH3NH3PbBr3 perovskites and measure differences between nanocrystal films and micron scale crystals.

Highly Resolved Studies of Vacuum Ultraviolet Photoionization Dynamics

Science.gov (United States)

Kakar, Sandeep

We use measurements of dispersed fluorescence from electronically excited photoions to study fundamental aspects of intramolecular dynamics. Our experimental innovations make it possible to obtain highly resolved photoionization data that offer qualitative insights into molecular scattering. In particular, we obtain vibrationally resolved data to probe coupling between the electronic and nuclear degrees of freedom by studying the distribution of vibrational energy among photoions. Vibrationally resolved branching ratios are measured over a broad spectral range of excitation energy and their non-Franck-Condon behavior is used as a tool to investigate two diverse aspects of shape resonant photoionization. First, vibrational branching ratios are obtained for the SiF_4 5a _1^{-1} and CS_2 5sigma_{rm u} ^{-1} photoionization channels to help elucidate the microscopic aspects of shape resonant wavefunction for polyatomic molecules. It is shown that in such molecules the shape resonant wavefunction is not necessarily attributable to a specific bond in the molecule. Second, the multichannel aspect of shape resonant photoionization dynamics, reflected in continuum channel coupling, is investigated by obtaining vibrational branching ratios for the 2 sigma_{rm u}^{ -1} and 4sigma^{ -1} photoionization of the isoelectronic molecules N_2 and CO, respectively. These data indicate that effects of continuum coupling may be widespread. We also present the first set of rotationally resolved data over a wide energy range for the 2 sigma_{rm u}^{ -1} photoionization of N_2. These data probe the partitioning of the angular momentum between the photoelectron and photoion, and highlight the multicenter nature of the molecular potential. These case studies illustrate the utility of dispersed fluorescence measurements as a complement to photoelectron spectroscopy for obtaining highly resolved data for molecular photoionization. These measurements makes it possible to probe intrinsically

Spectrum fluctuations from regular and damped rotational structures in {sup 16}`8Yb and {sup 163}Tm nuclei

Energy Technology Data Exchange (ETDEWEB)

Herskind, B; Dossing, T; Ninel, N; Atac, A; Jensen, H J; Hagemann, G B; Lieder, R M; Maj, A; Nyberg, J; Piiparinen, M; Sugawara, M; Virtanen, A [Niels Bohr Inst., Copenhagen (Denmark); Leoni, S; Vigezzi, E; Bosetti, P; Bracco, A; Broglia, R A; Million, B [Milan Univ. (Italy); Matsuo, M [Kyoto Univ., Uji (Japan). Uji Research Center of Yukawa Inst. for Theoretical Physics; Bergstrom, M; Brockstedt, A; Carlsson, H; Ekstrom, P; Nordlund, A; Ryde, H [Lund Univ. (Sweden). Dept. of Physics; Jongman, J [Rijksuniversiteit Groningen (Netherlands). Kernfysisch Versneller Inst.; Ingebretsen, F; Tjom, P O [Oslo Univ. (Norway); Lonnroth, T [Aabo Akademi, Turku (Finland). Dept. of Physics

1992-08-01

A new method has been developed for analyzing fluctuations of count in two-dimensional gamma ray energy coincidence spectra of deformed nuclei formed in heavy ion fusion reactions. Most of the gamma decay cascades flow through regions of high level density, and the method is based upon assumptions about average properties of the excited states. Transition energies along discrete rotational bands are viewed as randomly selected from a continuous distribution of rotational frequencies and moments of inertia. For damped rotational motion, implying a mixing of the rotational bands, a random matrix model is assumed, leading to smooth energy spectra, and strong fluctuations of the transition strengths. The method is illustrated for {sup 168}Yb and {sup 163}Tm. 4 refs., 4 figs.

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

X-ray spectrometer having 12 000 resolving power at 8 keV energy

Science.gov (United States)

Seely, John F.; Hudson, Lawrence T.; Henins, Albert; Feldman, Uri

2017-10-01

An x-ray spectrometer employing a thin (50 μm) silicon transmission crystal was used to record high-resolution Cu Kα spectra from a laboratory x-ray source. The diffraction was from the (331) planes that were at an angle of 13.26° to the crystal surface. The components of the spectral lines resulting from single-vacancy (1s) and double-vacancy (1s and 3d) transitions were observed. After accounting for the natural lifetime widths from reference double-crystal spectra and the spatial resolution of the image plate detector, the intrinsic broadening of the transmission crystal was measured to be as small as 0.67 eV and the resolving power 12 000, the highest resolving power achieved by a compact (0.5 m long) spectrometer employing a single transmission crystal operating in the hard x-ray region. By recording spectra with variable source-to-crystal distances and comparing to the calculated widths from various geometrical broadening mechanisms, the primary contributions to the intrinsic crystal broadening were found to be the source height at small distances and the crystal apertured height at large distances. By reducing these two effects, using a smaller source size and vignetting the crystal height, the intrinsic crystal broadening is then limited by the crystal thickness and the rocking curve width and would be 0.4 eV at 8 keV energy (20 000 resolving power).

A distribution-free test for anomalous gamma-ray spectra

International Nuclear Information System (INIS)

Chan, Kung-sik; Li, Jinzheng; Eichinger, William; Bai, Er-Wei

2014-01-01

Gamma-ray spectra are increasingly acquired in monitoring cross-border traffic, or in an area search for lost or orphan special nuclear material (SNM). The signal in such data is generally weak, resulting in poorly resolved spectra, thereby making it hard to detect the presence of SNM. We develop a new test for detecting anomalous spectra by characterizing the complete shape change in a spectrum from background radiation; the proposed method may serve as a tripwire for routine screening for SNM. We show that, with increasing detection time, the limiting distribution of the test is given by some functional of the Brownian bridge. The efficacy of the proposed method is illustrated by simulations. - Highlights: • We develop a new non-parametric test for detecting anomalous gamma-ray spectra. • The proposed test has good empirical power for detecting weak signals. • It can serve as an effective tripwire for invoking more thorough scrutiny of the source

Calculated and experimental low-loss electron energy loss spectra of dislocations in diamond and GaN

CERN Document Server

Jones, R; Gutiérrez-Sosa, A; Bangert, U; Heggie, M I; Blumenau, A T; Frauenheim, T; Briddon, P R

2002-01-01

First-principles calculations of electron energy loss (EEL) spectra for bulk GaN and diamond are compared with experimental spectra acquired with a scanning tunnelling electron microscope offering ultra-high-energy resolution in low-loss energy spectroscopy. The theoretical bulk low-loss EEL spectra, in the E sub g to 10 eV range, are in good agreement with experimental data. Spatially resolved spectra from dislocated regions in both materials are distinct from bulk spectra. The main effects are, however, confined to energy losses lying above the band edge. The calculated spectra for low-energy dislocations in diamond are consistent with the experimental observations, but difficulties remain in understanding the spectra of threading dislocations in GaN.

Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

Science.gov (United States)

Roussis, Stilianos G; Proulx, Richard

2003-03-15

A method has been developed for the reduction of the chemical formulas of compounds in complex mixtures from the isotopic peak distributions of high-resolution mass spectra. The method is based on the principle that the observed isotopic peak distribution of a mixture of compounds is a linear combination of the isotopic peak distributions of the individual compounds in the mixture. All possible chemical formulas that meet specific criteria (e.g., type and number of atoms in structure, limits of unsaturation, etc.) are enumerated, and theoretical isotopic peak distributions are generated for each formula. The relative amount of each formula is obtained from the accurately measured isotopic peak distribution and the calculated isotopic peak distributions of all candidate formulas. The formulas of compounds in simple spectra, where peak components are fully resolved, are rapidly determined by direct comparison of the calculated and experimental isotopic peak distributions. The singular value decomposition linear algebra method is used to determine the contributions of compounds in complex spectra containing unresolved peak components. The principles of the approach and typical application examples are presented. The method is most useful for the characterization of complex spectra containing partially resolved peaks and structures with multiisotopic elements.

The ultrasonic relaxation spectra for furfural molecules undergoing conformational changes

International Nuclear Information System (INIS)

Mirzaev, S. Z.; Telyaev, S. Q.; Egamberdiev, K.

2011-01-01

The acoustic spectra of liquid furfural have been investigated in the frequency range from 0.1MHz to 150 MHz and at the temperatures from 303.15 K to 333.15 K. The ultrasonic spectra of pure furfural show two relaxation processes. One relaxation process is located in the frequency range ∼0.2 MHz, and the second in the frequency range ∼2 MHz. The process with the lower relaxation frequency has been assigned to the 'X0-cis and X0-trans' internal rotation of furfural molecules. (authors)

Time-resolved x-ray spectra from laser-generated high-density plasmas

Science.gov (United States)

Andiel, U.; Eidmann, Klaus; Witte, Klaus-Juergen

2001-04-01

We focused frequency doubled ultra short laser pulses on solid C, F, Na and Al targets, K-shell emission was systematically investigated by time resolved spectroscopy using a sub-ps streak camera. A large number of laser shots can be accumulated when triggering the camera with an Auston switch system at very high temporal precision. The system provides an outstanding time resolution of 1.7ps accumulating thousands of laser shots. The time duration of the He-(alpha) K-shell resonance lines was observed in the range of (2-4)ps and shows a decrease with the atomic number. The experimental results are well reproduced by hydro code simulations post processed with an atomic kinetics code.

Valley-selective optical Stark effect probed by Kerr rotation

Science.gov (United States)

LaMountain, Trevor; Bergeron, Hadallia; Balla, Itamar; Stanev, Teodor K.; Hersam, Mark C.; Stern, Nathaniel P.

2018-01-01

The ability to monitor and control distinct states is at the heart of emerging quantum technologies. The valley pseudospin in transition metal dichalcogenide (TMDC) monolayers is a promising degree of freedom for such control, with the optical Stark effect allowing for valley-selective manipulation of energy levels in WS2 and WSe2 using ultrafast optical pulses. Despite these advances, understanding of valley-sensitive optical Stark shifts in TMDCs has been limited by reflectance-based detection methods where the signal is small and prone to background effects. More sensitive polarization-based spectroscopy is required to better probe ultrafast Stark shifts for all-optical manipulation of valley energy levels. Here, we show time-resolved Kerr rotation to be a more sensitive probe of the valley-selective optical Stark effect in monolayer TMDCs. Compared to the established time-resolved reflectance methods, Kerr rotation is less sensitive to background effects. Kerr rotation provides a fivefold improvement in the signal-to-noise ratio of the Stark effect optical signal and a more precise estimate of the energy shift. This increased sensitivity allows for observation of an optical Stark shift in monolayer MoS2 that exhibits both valley and energy selectivity, demonstrating the promise of this method for investigating this effect in other layered materials and heterostructures.

Frequency-resolved interferometric measurement of local density fluctuations for turbulent combustion analysis

International Nuclear Information System (INIS)

Köberl, S; Giuliani, F; Woisetschläger, J; Fontaneto, F

2010-01-01

A validation of a novel interferometric measurement technique for the frequency-resolved detection of local density fluctuation in turbulent combustion analysis was performed in this work. Two laser vibrometer systems together with a signal analyser were used to obtain frequency spectra of density fluctuations across a methane-jet flame. Since laser vibrometry is based on interferometric techniques, the derived signals are path-integrals along the measurement beam. To obtain local frequency spectra of density fluctuations, long-time-averaged measurements from each of the two systems were performed using correlation functions and cross spectra. Results were compared to data recorded by standard interferometric techniques for validation purposes. Additionally, Raman scattering and laser Doppler velocimetry were used for flame characterization

Time-resolved measurements with intense ultrashort laser pulses: a 'molecular movie' in real time

International Nuclear Information System (INIS)

Rudenko, A; Ergler, Th; Feuerstein, B; Zrost, K; Schroeter, C D; Moshammer, R; Ullrich, J

2007-01-01

We report on the high-resolution multidimensional real-time mapping of H 2 + and D 2 + nuclear wave packets performed employing time-resolved three-dimensional Coulomb explosion imaging with intense laser pulses. Exploiting a combination of a 'reaction microscope' spectrometer and a pump-probe setup with two intense 6-7 fs laser pulses, we simultaneously visualize both vibrational and rotational motion of the molecule, and obtain a sequence of snapshots of the squared ro-vibrational wave function with time-step resolution of ∼ 0.3 fs, allowing us to reconstruct a real-time movie of the ultrafast molecular motion. We observe fast dephasing, or 'collapse' of the vibrational wave packet and its subsequent revival, as well as signatures of rotational excitation. For D 2 + we resolve also the fractional revivals resulting from the interference between the counter-propagating parts of the wave packet

The rotational spectrum of CuCCH(X̃  1Σ+): a Fourier transform microwave discharge assisted laser ablation spectroscopy and millimeter/submillimeter study.

Science.gov (United States)

Sun, M; Halfen, D T; Min, J; Harris, B; Clouthier, D J; Ziurys, L M

2010-11-07

The pure rotational spectrum of CuCCH in its ground electronic state (X̃  (1)Σ(+)) has been measured in the frequency range of 7-305 GHz using Fourier transform microwave (FTMW) and direct absorption millimeter/submillimeter methods. This work is the first spectroscopic study of CuCCH, a model system for copper acetylides. The molecule was synthesized using a new technique, discharge assisted laser ablation spectroscopy (DALAS). Four to five rotational transitions were measured for this species in six isotopologues ((63)CuCCH, (65)CuCCH, (63)Cu(13)CCH, (63)CuC(13)CH, (63)Cu(13)C(13)CH, and (63)CuCCD); hyperfine interactions arising from the copper nucleus were resolved, as well as smaller splittings in CuCCD due to deuterium quadrupole coupling. Five rotational transitions were also recorded in the millimeter region for (63)CuCCH and (65)CuCCH, using a Broida oven source. The combined FTMW and millimeter spectra were analyzed with an effective Hamiltonian, and rotational, electric quadrupole (Cu and D) and copper nuclear spin-rotation constants were determined. From the rotational constants, an r(m)(2) structure for CuCCH was established, with r(Cu-C) = 1.8177(6) Å, r(C-C) = 1.2174(6) Å, and r(C-H) = 1.046(2) Å. The geometry suggests that CuCCH is primarily a covalent species with the copper atom singly bonded to the C≡C-H moiety. The copper quadrupole constant indicates that the bonding orbital of this atom may be sp hybridized. The DALAS technique promises to be fruitful in the study of other small, metal-containing molecules of chemical interest.

State resolved rotational excitation cross-sections and rates in H2 + H2 collisions

International Nuclear Information System (INIS)

Sultanov, Renat A.; Guster, Dennis

2006-01-01

Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H 2 -H 2 system are used from the following works: [A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J. Peterson, J. Chem. Phys., 116 (2002) 666; P. Diep, J.K. Johnson, J. Chem. Phys., 113 (2000) 3480; P. Diep, J.K. Johnson, J. Chem. Phys., 112 (2000) 4465]. Cross-sections for rotational transitions 00 → 20, 22, 40, 42, 44 and corresponding rate coefficients are calculated using a quantum-mechanical approach. Results are compared for a wide range of kinetic temperatures 300 K ≤ T≤ 3000 K

Doppler limited rotational transitions of OH and SH radicals measured by continuous-wave terahertz photomixing

Science.gov (United States)

Eliet, Sophie; Martin-Drumel, Marie-Aline; Guinet, Mickaël; Hindle, Francis; Mouret, Gaël; Bocquet, Robin; Cuisset, Arnaud

2011-12-01

A continuous-wave terahertz (CW-THz) source generated by photomixing has been employed to detect and quantify radicals produced in a cold plasma probing their spin-rotation transitions. Due to their dual interest for both atmospherists and astrophysicists, the hydroxyl OH and the mercapto SH radicals have been chosen. The photomixing technique which can access the largest range of THz frequencies of any known coherent source, allowed to resolve the Doppler-limited hyperfine transitions of OH in the 2.5 THz frequency region. Line profile analysis of the hyperfine components demonstrated that OH radicals have been detected in this region at a ppm level at a temperature close to 490 K. The hyperfine structure of SH has been resolved for the first time above 1 THz. Ten new frequency transitions have been measured in the 1.3-2.6 THz frequency range using the CW-THz synthesizer based on a frequency comb. With relative uncertainties better than 10 -7, the CW-THz frequencies measured in this study are now competitive with those measured by other instruments such as frequency multiplication chains or FT-FIR spectrometers and are now capable to improve the predictions of the complete high-resolution spectra of these radicals collected in the atmospheric and astrophysical spectroscopic databases. versioncorrigeeAC 2011-07-18 17:32 2011 Arnaud Cuisset.

Review of RDC Soft Computing Techniques for Accurate Measurement of Resolver Rotor Angle

Directory of Open Access Journals (Sweden)

Chandra Mohan Reddy Sivappagari

2013-03-01

Full Text Available A resolver is a position sensor or transducer that measures the instantaneous angular position of the rotating shaft to which it is attached. Resolver produces two amplitude modulated signals; SIN and COS as output signals. These two signals need to be demodulated and converted to digital signals before they can be used for control. There are several techniques available in the literature to measure the rotor shaft angle. This paper focuses on the design of both hardware and software based resolver to digital converter (RDC techniques available in the literature. This literature review helps the researchers to know about all these methods and plan future work on RDCs to improve the angle tracking performance.

The analysis on centrifugal compressor rotating stall

International Nuclear Information System (INIS)

Kim, Ji Hwan; Kim, Kwang Ho; Shin, You Hwan

2003-01-01

In the present study, the performance characteristics and the number of stall cell during rotating stall of a centrifugal air compressor were experimentally investigated. Rotating stall in the vaneless diffuser were investigated by measuring unsteady pressure fluctuations at several different diffuser radius using a high frequency pressure transducer. The number of stall cell and their rotational speeds are distinctive features of the rotating stall phenomenon. The present study is mainly forced on the analysis for the stall cell number and its propagation speed unstable operating region of the compressor. The interpretation method of visualization is based on the pressure distribution in the circumference pressure fields while plotting the pressure and its harmonics variations in time in polar coordinates. To obtain the visualize the existence rotating stall, auto-correlation function and the frequency spectra of the pressure fluctuations were measured at r/r2=1.52. When the flow coefficient is lower than 0.150, the static pressure at impeller inlet is higher than that at inlet duct of the compressor. And the flow coefficient is lower than 0.086, several stall cell groups of discrete frequencies are observed

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

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

Science.gov (United States)

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

2017-08-01

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

Spatially resolved x-ray laser spectra and demonstration of gain in nickel-like systems

Energy Technology Data Exchange (ETDEWEB)

Whelan, D.A.; Keane, C.J.; MacGowan, B.J.; Matthews, D.L.; Trebes, J.E.; Eckart, M.J.

1987-09-25

A recent series of experiments have provided spatially resolved near field images of several candidate x-ray lasing transition in neon-like, nickel-like, and hydrogen-like ions from laser-produced plasmas. From these time-gated, spatially, and spectrally resolved measurements the source size for the J = 0 - 1 and the J = 2 - 1 transitions in Ne-like selenium have been determined. Source regions as small as 50 ..mu..m have been observed on transitions with gain-length products >9. In addition, we have obtained the first experimental evidence for the amplification of spontaneous emission in the nickel-like ions of europium and ytterbium. Gains of order 1 cm/sup -1/ and gain-length products of up to 3.8 are observed on the J = 0 - 1, 4d-4p transitions in Eu + 35 at 65.26 and 71.00 A. Analogous transitions in Yb = +42 have been identified and some evidence for ASE has been observed. 7 refs., 11 figs.

Spatially resolved X-ray laser spectra and demonstration of gain in nickel-like systems

International Nuclear Information System (INIS)

Whelan, D.A.; Keane, C.J.; MacGowan, B.J.; Matthews, D.L.; Trebes, J.E.; Eckart, M.J.

1987-01-01

A recent series of experiments have provided spatially resolved near field images of several candidate x-ray lasing transition in neon-like, nickel-like, and hydrogen-like ions from laser-produced plasmas. From these time-gated, spatially, and spectrally resolved measurements the source size for the J=0-1 and the J=2-1 transitions in Ne-like selenium have been determined. Source regions as small as 50 μm have been observed on transitions with gain-length products >9. In addition, the authors have obtained the first experimental evidence for the amplification of spontaneous emission in the nickel-like ions of europium and ytterbium. Gains of order 1 cm/sup -1/ and gain-length products of up to 3.8 are observed on the J=0-1,4d-4p transitions in Eu/sup +35/ at 65.83 and 71.00A. Analogous transitions in Yb/sup +42/ have been identified and some evidence for ASE has been observed

Optical rotation and electron spin resonance of an electro-optically active polythiophene

International Nuclear Information System (INIS)

Goto, Hiromasa

2010-01-01

Graphical abstract: The electro-chiroptical polythiophene displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. - Abstract: A chiroptical polythiophene, is synthesized by electrolytic polymerization in a cholesteric liquid crystal electrolyte solution. The polymer displays a fingerprint texture similar to that of the cholesteric electrolyte solution. Upon electrochemical doping, the polymer displays optical rotation at wavelengths corresponding to the doping band observable in the absorption spectra. The formation of polarons on the main-chain is confirmed by electron spin resonance measurements. The results demonstrate the intermolecular chirality of polarons in this π-conjugated polymer, indicating continuum delocalized polarons are in a three-dimensional helical environment.

Accounting for many-body correlation effects in the calculation of the valence band photoelectron emission spectra of ferromagnets

International Nuclear Information System (INIS)

Minar, J.; Chadov, S.; Ebert, H.; Chioncel, L.; Lichtenstein, A.; De Nadai, C.; Brookes, N.B.

2005-01-01

The influence of dynamical correlation effects on the valence band photoelectron emission of ferromagnetic Fe, Co and Ni has been investigated. Angle-resolved as well as angle-integrated valence band photoelectron emission spectra were calculated on the basis of the one-particle Green's function, which was obtained by using the fully relativistic Korringa-Kohn-Rostoker method. The correlation effects have been included in terms of the electronic self-energy which was calculated self-consistently within Dynamical Mean-Field Theory (DMFT). In addition a theoretical approach to calculate high-energy angle-resolved valence band photoelectron emission spectra is presented

A preliminary layout and PIC simulations of the time resolved beam energy spectrum measurement for DRAGON-I

International Nuclear Information System (INIS)

Liao Shuqing; Zhang Kaizhi; Shi Jingshui

2010-01-01

The time resolved beam energy spectrum for DRAGON-I can be measured with a new method which is named RBS (Rotating Beam in Solenoid). The beam energy spectrum is determined by measuring the beam rotation angle and its expansion width at the exit of DRAGON-I. The rotation beam is shaped by a slit at the exit of DRAGON-I, then rotated in the magnetic field of the solenoids and the resulted beamlet is measured by the Cherenkov screen. The beam motion in the solenoids is simulated by PARMELA and the relationships between the beam rotation angle's expansion width and the beam energy spread, emittance are discussed. The measurement error is also discussed in this paper. (authors)

VizieR Online Data Catalog: Iso-propyl cyanide rotational study (Kolesnikova+, 2017)

Science.gov (United States)

Kolesnikova, L.; Alonso, E. R.; Mata, S.; Cernicharo, J.; Alonso, J. L.

2018-02-01

A detailed analysis of the rotational spectra of the interstellar iso-propyl cyanide has been carried out up to 480GHz using three different high-resolution spectroscopic techniques. Jet-cooled broadband chirped pulse Fourier transform microwave spectroscopy from 6 to 18GHz allowed us to measure and analyze the ground-state rotational transitions of all singly substituted 13C and 15N isotopic species in their natural abundances. The monohydrate of iso-propyl cyanide, in which the water molecule bounds through a stronger O-H...N and weaker bifurcated (C-H)2...O hydrogen bonds in a Cs configuration, has also been detected in the supersonic expansion. Stark-modulation spectroscopy in the microwave and millimeter wave range from 18 to 75GHz allowed us to analyze the vibrational satellite pattern arising from pure rotational transitions in the low-lying vibrational excited states. Finally, assignments and measurements were extended through the millimeter and submillimeter wave region. The room temperature rotational spectra made possible the assignment and analysis of pure rotational transitions in 19 vibrationally excited states. Significant perturbations were found above 100GHz in most of the observed excited states. Due to the complexity of the interactions and importance of this astrophysical region for future radioastronomical detection, both a graphical plot approach and a coupled fit have been used to assign and measure almost 10000 new lines. (1 data file).

Angle-resolved photoemission study of NiO and CoO

International Nuclear Information System (INIS)

Shen, Z.X.; Lindberg, P.A.P.; Shih, C.K.; Spicer, W.E.; Lindau, I.

1989-01-01

The authors report an angle-resolved photoemission investigation of the electronic structures of NiO and CoO. The lattice effects on the photoemission spectra of these highly correlated materials are important. The magnitudes of dispersions of the oxygen bands agree with band calculations, but the experimental data of the localized 3d bands do not agree with the band calculations

Measurements of spatially resolved high resolution spectra of laser-produced plasmas. FY 83 annual report

International Nuclear Information System (INIS)

Feldman, U.

1984-01-01

A high resolution grazing incidence spectrograph, provided by the Naval Research Laboratory and the Goddard Space Flight Center, has been installed on the Omega laser facility of the Laboratory for Laser Energetics (LLE) at the University of Rochester. This 3 meter instrument, with a 1200 lines/mm grating blazed at 2 0 35', has produced extremely high quality spectra in the wavelength region 10 A to 100 A. Spectra have been obtained from glass microballoon targets that are coated with a variety of high-Z materials. Transitions from the Na-like and Ne-like ionization stages of Fe, Ni, Cu, and Kr have been identified

Understanding reconstructed Dante spectra using high resolution spectroscopy

Energy Technology Data Exchange (ETDEWEB)

May, M. J., E-mail: may13@llnl.gov; Widmann, K.; Kemp, G. E.; Thorn, D.; Colvin, J. D.; Schneider, M. B.; Moore, A.; Blue, B. E. [L-170 Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, California 94551 (United States); Weaver, J. [Naval Research Laboratory, 4555 Overlook Ave. SW, Washington, DC 20375 (United States)

2016-11-15

The Dante is an 18 channel filtered diode array used at the National Ignition Facility (NIF) to measure the spectrally and temporally resolved radiation flux between 50 eV and 20 keV from various targets. The absolute flux is determined from the radiometric calibration of the x-ray diodes, filters, and mirrors and a reconstruction algorithm applied to the recorded voltages from each channel. The reconstructed spectra are very low resolution with features consistent with the instrument response and are not necessarily consistent with the spectral emission features from the plasma. Errors may exist between the reconstructed spectra and the actual emission features due to assumptions in the algorithm. Recently, a high resolution convex crystal spectrometer, VIRGIL, has been installed at NIF with the same line of sight as the Dante. Spectra from L-shell Ag and Xe have been recorded by both VIRGIL and Dante. Comparisons of these two spectroscopic measurements yield insights into the accuracy of the Dante reconstructions.

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 200

Coherence spectra of rotational and translational components of mining induced seismic events

Czech Academy of Sciences Publication Activity Database

Lyubushin, Alexei A.; Kaláb, Zdeněk; Lednická, Markéta; Knejzlík, Jaromír

2015-01-01

Roč. 50, č. 4 (2015), s. 391-402 ISSN 2213-5812 Institutional support: RVO:68145535 Keywords : rotational component * squared Morlet wavelet coefficient * coherence spectrum * S-5-SR seismometer Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.528, year: 2015 http://link.springer.com/article/10.1007/s40328-015-0099-3

Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)

Science.gov (United States)

Fournier, Frédéric; Zheng, Wanquan; Carrez, Serge; Dubost, Henri; Bourguignon, Bernard

2004-09-01

Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopy.

Science.gov (United States)

Chen, Jin-Dah; Lee, Yuan-Pern

2011-03-07

A step-scan Fourier-transform spectrometer coupled with a multipass absorption cell was employed to detect temporally resolved infrared absorption spectra of CH(3)OSO produced upon irradiation of a flowing gaseous mixture of CH(3)OS(O)Cl in N(2) or CO(2) at 248 nm. Two intense transient features with origins near 1152 and 994 cm(-1) are assigned to syn-CH(3)OSO; the former is attributed to overlapping bands at 1154 ± 3 and 1151 ± 3 cm(-1), assigned to the S=O stretching mixed with CH(3) rocking (ν(8)) and the S=O stretching mixed with CH(3) wagging (ν(9)) modes, respectively, and the latter to the C-O stretching (ν(10)) mode at 994 ± 6 cm(-1). Two weak bands at 2991 ± 6 and 2956 ± 3 cm(-1) are assigned as the CH(3) antisymmetric stretching (ν(2)) and symmetric stretching (ν(3)) modes, respectively. Observed vibrational transition wavenumbers agree satisfactorily with those predicted with quantum-chemical calculations at level B3P86∕aug-cc-pVTZ. Based on rotational parameters predicted at that level, the simulated rotational contours of these bands agree satisfactorily with experimental results. The simulation indicates that the S=O stretching mode of anti-CH(3)OSO near 1164 cm(-1) likely makes a small contribution to the observed band near 1152 cm(-1). A simple kinetic model of self-reaction is employed to account for the decay of CH(3)OSO and yields a second-order rate coefficient k=(4 ± 2)×10(-10) cm(3)molecule(-1)s(-1). © 2011 American Institute of Physics.

New Methodology For Use in Rotating Field Nuclear MagneticResonance

Energy Technology Data Exchange (ETDEWEB)

Jachmann, Rebecca C. [Univ. of California, Berkeley, CA (United States)

2007-01-01

High-resolution NMR spectra of samples with anisotropicbroadening are simplified to their isotropic spectra by fast rotation ofthe sample at the magic angle 54.7 circ. This dissertation concerns thedevelopment of novel Nuclear Magnetic Resonance (NMR) methodologies basedwhich would rotate the magnetic field instead of the sample, rotatingfield NMR. It provides an over of the NMR concepts, procedures, andexperiments needed to understand the methodologies that will be used forrotating field NMR. A simple two-dimensional shimming method based onharmonic corrector rings which can provide arbitrary multiple ordershimming corrections were developed for rotating field systems, but couldbe used in shimming other systems as well. Those results demonstrate, forexample, that quadrupolar order shimming improves the linewidth by up toan order of magnitude. An additional order of magnitude reduction is inprinciple achievable by utilizing this shimming method for z-gradientcorrection and higher order xy gradients. A specialized pulse sequencefor the rotating field NMR experiment is under development. The pulsesequence allows for spinning away from the magic angle and spinningslower than the anisotropic broadening. This pulse sequence is acombination of the projected magic angle spinning (p-MAS) and magic angleturning (MAT) pulse sequences. This will be useful to rotating field NMRbecause there are limits on how fast a field can be spun and spin at themagic angle is difficult. One of the goals of this project is forrotating field NMR to be used on biological systems. The p-MAS pulsesequence was successfully tested on bovine tissue samples which suggeststhat it will be a viable methodology to use in a rotating field set up. Aside experiment on steering magnetic particle by MRI gradients was alsocarried out. Some movement was seen in these experiment, but for totalcontrol over steering further experiments would need to bedone.

New Methodology For Use in Rotating Field Nuclear MagneticResonance

Energy Technology Data Exchange (ETDEWEB)

Jachmann, Rebecca C. [Univ. of California, Berkeley, CA (United States)

2007-05-18

High-resolution NMR spectra of samples with anisotropicbroadening are simplified to their isotropic spectra by fast rotation ofthe sample at the magic angle 54.7 circ. This dissertation concerns thedevelopment of novel Nuclear Magnetic Resonance (NMR) methodologies basedwhich would rotate the magnetic field instead of the sample, rotatingfield NMR. It provides an over of the NMR concepts, procedures, andexperiments needed to understand the methodologies that will be used forrotating field NMR. A simple two-dimensional shimming method based onharmonic corrector rings which can provide arbitrary multiple ordershimming corrections were developed for rotating field systems, but couldbe used in shimming other systems as well. Those results demonstrate, forexample, that quadrupolar order shimming improves the linewidth by up toan order of magnitude. An additional order of magnitude reduction is inprinciple achievable by utilizing this shimming method for z-gradientcorrection and higher order xy gradients. A specialized pulse sequencefor the rotating field NMR experiment is under development. The pulsesequence allows for spinning away from the magic angle and spinningslower than the anisotropic broadening. This pulse sequence is acombination of the projected magic angle spinning (p-MAS) and magic angleturning (MAT) pulse sequences. This will be useful to rotating field NMRbecause there are limits on how fast a field can be spun and spin at themagic angle is difficult. One of the goals of this project is forrotating field NMR to be used on biological systems. The p-MAS pulsesequence was successfully tested on bovine tissue samples which suggeststhat it will be a viable methodology to use in a rotating field set up. Aside experiment on steering magnetic particle by MRI gradients was alsocarried out. Some movement was seen in these experiment, but for totalcontrol over steering further experiments would need to bedone.

Adsorption geometry and core excitation spectra of three phenylpropene isomers on Cu(111)

International Nuclear Information System (INIS)

Kolczewski, C.; Williams, F. J.; Cropley, R. L.; Vaughan, O. P. H.; Urquhart, A. J.; Tikhov, M. S.; Lambert, R. M.; Hermann, K.

2006-01-01

Theoretical C 1s near edge x-ray absorption fine structure (NEXAFS) spectra for the C 9 H 10 isomers trans-methylstyrene, α-methylstyrene, and allylbenzene in gas phase and adsorbed at Cu(111) surfaces have been obtained from density functional theory calculations where adsorbate geometries were determined by corresponding total energy optimizations. The three species show characteristic differences in widths and peak shapes of the lowest C 1s→π* transitions which are explained by different coupling of the π-electron system of the C 6 ring with that of the side chain in the molecules as well as by the existence of nonequivalent carbon centers. The adsorbed molecules bind only weakly with the substrate which makes the use of theoretical NEXAFS spectra of the oriented free molecules meaningful for an interpretation of experimental angle-resolved NEXAFS spectra of the adsorbate systems obtained in this work. However, a detailed quantitative account of relative peak intensities requires theoretical angle-resolved NEXAFS spectra of the complete adsorbate systems which have been evaluated within the surface cluster approach. The comparison with experiment yields almost perfect agreement and confirms the reliability of the calculated equilibrium geometries of the adsorbates. This can help to explain observed differences in the catalytic epoxidation of the three molecules on Cu(111) based on purely geometric considerations

ANA - a program for evaluation of gamma spectra from environmental samples

International Nuclear Information System (INIS)

Mishev, P.

1993-01-01

The program aims at for evaluation of gamma spectra, collected in different multichannel analyzers. It provides file format conversion from most popular file spectra formats. The program includes: spectra visualization; energy and shape calibration; efficiency calibration; automatic peak search; resolving of multiplets and peak calculations, based on program KATOK; isotope library; isotope identification and activity calculations. Three types of efficiency calibrations are possible: spline approximation; two branches logarithmic approximation; and polynomial approximation based on orthonormal polynomials. The suggestions of the International Atomic Energy Agency were taken into account in development of the algorithms. The program allows batch spectra processing appropriate for routine tasks and user controlled evaluations. Calculations of lower detection limits of some user defined isotopes are also possible. The program calculates precisely the statistical uncertainties of the final results. The error sources taken into account are: standard source activity errors, efficiency approximation errors and current measurement errors. (author)

Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

Science.gov (United States)

Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

2017-03-01

In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

Neutron emission spectra and level density of hot rotating 132Sn

International Nuclear Information System (INIS)

Aggarwal, Mamta

2008-01-01

The neutron emission spectrum of the highly excited compound nuclear system 132 Sn is investigated at high spin. The doubly magic nucleus 132 Sn undergoes a shape transition at high angular momentum which affects the nuclear level density and neutron emission probability considerably. The interplay of temperature, shape, deformation and rotational degrees of freedom and their influence on neutron emission is emphasized. We predict an enhancement of nucleonic emission at those spins where the nucleus suffers a transition from a spherical to deformed shape. (author)

Palaeomagnetic evidence for post-thrusting tectonic rotation in the Southeast Pyrenees, Spain

Science.gov (United States)

Keller, P.; Lowrie, W.; Gehring, A. U.

1994-12-01

The structural framework of the Southeast Pyrenees led to two conflicting interpretations—thrust tectonics vs. wrench tectonics—to explain the geometry of this mountain range. In the present study palaeomagnetic data are presented in an attempt to resolve this conflict. The data reveal different magnetisation directions that indicate tectonic rotations about vertical axes. By means of a regionally homogeneous pattern of rotation, three tectonic units could be distinguished in the Southeast Pyrenees. The Internal Unit in the north reveals no rotation since the Permian. The External Unit to the south shows anticlockwise rotation of 25°, younger than the Early Oligocene. The Pedraforca Unit, placed on the External Unit, shows 57° clockwise rotation which can be assigned to the Neogene. The anticlockwise rotation of the External Unit can be explained by differential compression during the last phase of Pyrenean thrusting, whereas the clockwise rotation of the Pedraforca Unit can be interpreted by post-thrusting tectonics. The rotation pattern of the Southeast Pyrenees provides evidence for both Cretaceous to Paleogene N-S compression and Neogene right-lateral wrench tectonics.

Spatially resolved x-ray fluorescence spectroscopy of beryllium capsule implosions at the NIF

Science.gov (United States)

MacDonald, M. J.; Bishel, D. T.; Saunders, A. M.; Scott, H. A.; Kyrala, G.; Kline, J.; MacLaren, S.; Thorn, D. B.; Yi, S. A.; Zylstra, A. B.; Falcone, R. W.; Doeppner, T.

2017-10-01

Beryllium ablators used in indirectly driven inertial confinement fusion implosions are doped with copper to prevent preheat of the cryogenic hydrogen fuel. Here, we present analysis of spatially resolved copper K- α fluorescence spectra from the beryllium ablator layer. It has been shown that K- α fluorescence spectroscopy can be used to measure plasma conditions of partially ionized dopants in high energy density systems. In these experiments, K-shell vacancies in the copper dopant are created by the hotspot emission at stagnation, resulting in K-shell fluorescence at bang time. Spatially resolved copper K- α emission spectra are compared to atomic kinetics and radiation code simulations to infer density and temperature profiles. This work was supported by the US DOE under Grant No. DE-NA0001859, under the auspices of the US DOE by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344, and by Los Alamos National Laboratory under contract DE-AC52-06NA52396.

Spatially resolved single crystal x-ray spectropolarimetry of wire array z-pinch plasmas.

Science.gov (United States)

Wallace, M S; Haque, S; Neill, P; Pereira, N R; Presura, R

2018-01-01

A recently developed single-crystal x-ray spectropolarimeter has been used to record paired sets of polarization-dependent and axially resolved x-ray spectra emitted by wire array z-pinches. In this measurement, two internal planes inside a suitable crystal diffract the x-rays into two perpendicular directions that are normal to each other, thereby separating incident x-rays into their linearly polarized components. This paper gives considerations for fielding the instrument on extended sources. Results from extended sources are difficult to interpret because generally the incident x-rays are not separated properly by the crystal. This difficulty is mitigated by using a series of collimating slits to select incident x-rays that propagate in a plane of symmetry between the polarization-splitting planes. The resulting instrument and some of the spatially resolved polarized x-ray spectra recorded for a 1-MA aluminum wire array z-pinch at the Nevada Terawatt Facility at the University of Nevada, Reno will be presented.

Surface investigations using monolayer-resolvable high-resolution Rutherford backscattering spectroscopy

International Nuclear Information System (INIS)

Kimura, Kenji; Ohtsuka, Hisashi; Ohshima, Kazuomi; Mannami, Michi-hiko

1994-01-01

Energy spectra of scattered 0.5 MeV He ions from a clean (001) surface of SnTe are measured with a 90 sector magnetic spectrometer (ΔE/E ∼ 0.1%). The ions scattered from successive atomic layers can be resolved in the energy spectra. Inelastic energy losses and charge state distributions of 0.5 MeV He ions scattered from the topmost atomic layer of the SnTe(001) are measured. A position-dependent stopping power at the surface is proposed from the observed energy losses. The observed charge state distribution shows the importance of the charge-exchange processes with valence electrons in the tail of the electron distribution at the surface. (orig.)

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

Final Report - Spacially-Resolved Diagnostics and Modeling of Micro-Discharges

International Nuclear Information System (INIS)

Donnelly, Vincent M.; Economou, Demetre J.

2012-01-01

Optical emission spectroscopy measurements were performed with added trace probe gases in an atmospheric pressure direct current (DC) helium microplasma. Spatially resolved measurements (resolution ∼ 6 (micro)m) were taken across a 200 (micro)m slot-type discharge. Stark splitting of the hydrogen Balmer-line was used to investigate the electric field distribution in the cathode sheath region. Electron densities were evaluated from the analysis of the spectral line broadenings of H-β emission. The electron density in the bulk plasma was in the range 3-8 x 1013 cm-3. The electric field peaked at the cathode (∼60 kV/cm) and decayed to small values over a distance of ∼ 50 (micro)m (sheath edge) from the cathode. These experimental data were in good agreement with a self-consistent one-dimensional model of the discharge. The dependence of gas temperature on gas flow through the slot-type, atmospheric pressure microplasma in helium or argon was investigated by a combination of experiments and modeling. Spatially-resolved gas temperature profiles across the gap between the two electrodes were obtained from rotational analysis of N 2 (C 3 II u → B 3 II g ) emission spectra, with small amounts of N 2 added as actinometer gas. Under the same input power of 20 kW/cm 3 , the peak gas temperature in helium (∼650 K) was significantly lower than that in argon (over 1200 K). This reflects the much higher thermal conductivity of helium gas. The gas temperature decreased with increasing gas flow rate, more so in argon compared to helium. This was consistent with the fact that conductive heat losses dominate in helium microplasmas, while convective heat losses play a major role in argon microplasmas. A plasma-gas flow simulation of the microdischarge, including a chemistry set, a compressible Navier-Stokes (and mass continuity) equation, and a convective heat transport equation, was also performed. Experimental measurements were in good agreement with simulation

A Comprehensive Rotational Study of Interstellar Iso-propyl Cyanide up to 480 GHz

Science.gov (United States)

Kolesniková, L.; Alonso, E. R.; Mata, S.; Cernicharo, J.; Alonso, J. L.

2017-12-01

A detailed analysis of the rotational spectra of the interstellar iso-propyl cyanide has been carried out up to 480 GHz using three different high-resolution spectroscopic techniques. Jet-cooled broadband chirped pulse Fourier transform microwave spectroscopy from 6 to 18 GHz allowed us to measure and analyze the ground-state rotational transitions of all singly substituted 13C and 15N isotopic species in their natural abundances. The monohydrate of iso-propyl cyanide, in which the water molecule bounds through a stronger O-H⋯N and weaker bifurcated (C-H)2⋯O hydrogen bonds in a C s configuration, has also been detected in the supersonic expansion. Stark-modulation spectroscopy in the microwave and millimeter wave range from 18 to 75 GHz allowed us to analyze the vibrational satellite pattern arising from pure rotational transitions in the low-lying vibrational excited states. Finally, assignments and measurements were extended through the millimeter and submillimeter wave region. The room temperature rotational spectra made possible the assignment and analysis of pure rotational transitions in 19 vibrationally excited states. Significant perturbations were found above 100 GHz in most of the observed excited states. Due to the complexity of the interactions and importance of this astrophysical region for future radioastronomical detection, both a graphical plot approach and a coupled fit have been used to assign and measure almost 10,000 new lines.

Time-resolved suprathermal x-rays

International Nuclear Information System (INIS)

Lee, P.H.Y.; Rosen, M.D.

1978-01-01

Temporally resolved x-ray spectra in the range of 1 to 20 keV have been obtained from gold disk targets irradiated by 1.06 μm laser pulses from the Argus facility. The x-ray streak camera used for the measurement has been calibrated for streak speed and dynamic range by using an air-gap Fabry-Perot etalon, and the instrument response has been calibrated using a multi-range monoenergetic x-ray source. The experimental results indicate that we are able to observe the ''hot'' x-ray temperature evolve in time and that the experimentally observed values can be qualitatively predicted by LASNEX code computations when the inhibited transport model is used

Temperature dependent analysis of three classes of fluorescence spectra from p-6P nanofiber films

DEFF Research Database (Denmark)

Balzer, F.; Pogantsch, Alexander; Rubahn, Horst-Günter

2009-01-01

devices, given that the spectra are reproducible for varying surface temperatures. A detailed investigation as a function of surface temperature variation from 300 to 30 K reveals three classes of spectra: (a) spectra with well resolved excitonic peaks, which shift 35meV to the blue with decreasing...... temperature, (b) similar spectra with an additional intermediate broadening around 150 K, and (c) excitonic spectra similar to (b), but with a green defect emission band. Quantitative fitting of type (a) spectra results in an  exciton–phonon coupling factor of 80 ± 10meV and an average phonon temperature of Θ...... = 670 ± 70 K. The Huang–Rhys factor decreases linearly from 1.2 at 300 K to 1.0 at 30 K. Fitting of type (b) spectra reveals that the apparent intermediate temperature broadening is due to additional fluorescence peaks, the relative importance of which increasing with decreasing temperature....

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.

Mechanical approach to the neutrons spectra collimation and detection

Energy Technology Data Exchange (ETDEWEB)

Sadeghi, H.; Roshan, M. V. [Energy Engineering and Physics Department, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)

2014-11-15

Neutrons spectra from most of known sources require being collimated for numerous applications; among them one is the Neutron Activation Analysis. High energy neutrons are collimated through a mechanical procedure as one of the most promising methods. The output energy of the neutron beam depends on the velocity of the rotating Polyethylene disks. The collimated neutrons are then measured by an innovative detection technique with high accuracy.

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

THREE-DIMENSIONAL ATMOSPHERIC CIRCULATION OF WARM AND HOT JUPITERS: EFFECTS OF ORBITAL DISTANCE, ROTATION PERIOD, AND NONSYNCHRONOUS ROTATION

Energy Technology Data Exchange (ETDEWEB)

Showman, Adam P. [Department of Planetary Sciences and Lunar and Planetary Laboratory, University of Arizona, 1629 University Blvd., Tucson, AZ 85721 (United States); Lewis, Nikole K. [Department of Earth, Atmospheric, and Planetary Sciences, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Fortney, Jonathan J., E-mail: showman@lpl.arizona.edu [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States)

2015-03-10

Efforts to characterize extrasolar giant planet (EGP) atmospheres have so far emphasized planets within 0.05 AU of their stars. Despite this focus, known EGPs populate a continuum of orbital separations from canonical hot Jupiter values (0.03–0.05 AU) out to 1 AU and beyond. Unlike typical hot Jupiters, these more distant EGPs will not generally be synchronously rotating. In anticipation of observations of this population, we here present three-dimensional atmospheric circulation models exploring the dynamics that emerge over a broad range of rotation rates and incident stellar fluxes appropriate for warm and hot Jupiters. We find that the circulation resides in one of two basic regimes. On typical hot Jupiters, the strong day–night heating contrast leads to a broad, fast superrotating (eastward) equatorial jet and large day–night temperature differences. At faster rotation rates and lower incident fluxes, however, the day–night heating gradient becomes less important, and baroclinic instabilities emerge as a dominant player, leading to eastward jets in the midlatitudes, minimal temperature variations in longitude, and, often, weak winds at the equator. Our most rapidly rotating and least irradiated models exhibit similarities to Jupiter and Saturn, illuminating the dynamical continuum between hot Jupiters and the weakly irradiated giant planets of our own solar system. We present infrared (IR) light curves and spectra of these models, which depend significantly on incident flux and rotation rate. This provides a way to identify the regime transition in future observations. In some cases, IR light curves can provide constraints on the rotation rate of nonsynchronously rotating planets.

THREE-DIMENSIONAL ATMOSPHERIC CIRCULATION OF WARM AND HOT JUPITERS: EFFECTS OF ORBITAL DISTANCE, ROTATION PERIOD, AND NONSYNCHRONOUS ROTATION

International Nuclear Information System (INIS)

Showman, Adam P.; Lewis, Nikole K.; Fortney, Jonathan J.

2015-01-01

Efforts to characterize extrasolar giant planet (EGP) atmospheres have so far emphasized planets within 0.05 AU of their stars. Despite this focus, known EGPs populate a continuum of orbital separations from canonical hot Jupiter values (0.03–0.05 AU) out to 1 AU and beyond. Unlike typical hot Jupiters, these more distant EGPs will not generally be synchronously rotating. In anticipation of observations of this population, we here present three-dimensional atmospheric circulation models exploring the dynamics that emerge over a broad range of rotation rates and incident stellar fluxes appropriate for warm and hot Jupiters. We find that the circulation resides in one of two basic regimes. On typical hot Jupiters, the strong day–night heating contrast leads to a broad, fast superrotating (eastward) equatorial jet and large day–night temperature differences. At faster rotation rates and lower incident fluxes, however, the day–night heating gradient becomes less important, and baroclinic instabilities emerge as a dominant player, leading to eastward jets in the midlatitudes, minimal temperature variations in longitude, and, often, weak winds at the equator. Our most rapidly rotating and least irradiated models exhibit similarities to Jupiter and Saturn, illuminating the dynamical continuum between hot Jupiters and the weakly irradiated giant planets of our own solar system. We present infrared (IR) light curves and spectra of these models, which depend significantly on incident flux and rotation rate. This provides a way to identify the regime transition in future observations. In some cases, IR light curves can provide constraints on the rotation rate of nonsynchronously rotating planets

ROTATIONAL VELOCITIES FOR M DWARFS

International Nuclear Information System (INIS)

Jenkins, J. S.; Ramsey, L. W.; Jones, H. R. A.; Pavlenko, Y.; Barnes, J. R.; Pinfield, D. J.; Gallardo, J.

2009-01-01

We present spectroscopic rotation velocities (v sin i) for 56 M dwarf stars using high-resolution Hobby-Eberly Telescope High Resolution Spectrograph red spectroscopy. In addition, we have also determined photometric effective temperatures, masses, and metallicities ([Fe/H]) for some stars observed here and in the literature where we could acquire accurate parallax measurements and relevant photometry. We have increased the number of known v sin i values for mid M stars by around 80% and can confirm a weakly increasing rotation velocity with decreasing effective temperature. Our sample of v sin is peak at low velocities (∼3 km s -1 ). We find a change in the rotational velocity distribution between early M and late M stars, which is likely due to the changing field topology between partially and fully convective stars. There is also a possible further change in the rotational distribution toward the late M dwarfs where dust begins to play a role in the stellar atmospheres. We also link v sin i to age and show how it can be used to provide mid-M star age limits. When all literature velocities for M dwarfs are added to our sample, there are 198 with v sin i ≤ 10 km s -1 and 124 in the mid-to-late M star regime (M3.0-M9.5) where measuring precision optical radial velocities is difficult. In addition, we also search the spectra for any significant Hα emission or absorption. Forty three percent were found to exhibit such emission and could represent young, active objects with high levels of radial-velocity noise. We acquired two epochs of spectra for the star GJ1253 spread by almost one month and the Hα profile changed from showing no clear signs of emission, to exhibiting a clear emission peak. Four stars in our sample appear to be low-mass binaries (GJ1080, GJ3129, Gl802, and LHS3080), with both GJ3129 and Gl802 exhibiting double Hα emission features. The tables presented here will aid any future M star planet search target selection to extract stars with low v

β decays on the rotational levels of the 5/2+[642] 169Yb band

International Nuclear Information System (INIS)

Dzhelepov, B.S.; Zhukovskij, N.N.; Shestopalova, S.A.

1993-01-01

Competing 169 Lu β decays into rotational levels of 5/2 + [642] 169 Yb band are considered. Schemes of resolved β decay into 3 levels of deformed nucleus rotational bands, γ transitions linked with excitation and discharge of 169 Yb 5/2, 7/2, 9/2, 5/2 + [642] levels are presented. Matrix elements of axial-vector decay are determined. Data on 12 γ transitions in 169 Lu are presented

Large Molecule Structures by Broadband Fourier Transform Molecular Rotational Spectroscopy

Science.gov (United States)

Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

2016-06-01

Fourier transform molecular rotational resonance spectroscopy (FT-MRR) using pulsed jet molecular beam sources is a high-resolution spectroscopy technique that can be used for chiral analysis of molecules with multiple chiral centers. The sensitivity of the molecular rotational spectrum pattern to small changes in the three dimensional structure makes it possible to identify diastereomers without prior chemical separation. For larger molecules, there is the additional challenge that different conformations of each diastereomer may be present and these need to be differentiated from the diastereomers in the spectral analysis. Broadband rotational spectra of several larger molecules have been measured using a chirped-pulse FT-MRR spectrometer. Measurements of nootkatone (C15H22O), cedrol (C15H26O), ambroxide (C16H28O) and sclareolide (C16H26O2) are presented. These spectra are measured with high sensitivity (signal-to-noise ratio near 1,000:1) and permit structure determination of the most populated isomers using isotopic analysis of the 13C and 18O isotopologues in natural abundance. The accuracy of quantum chemistry calculations to identify diastereomers and conformers and to predict the dipole moment properties needed for three wave mixing measurements is examined.

Time-dependent first-principles study of angle-resolved secondary electron emission from atomic sheets

Science.gov (United States)

Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki

2018-02-01

Angle-resolved secondary electron emission (ARSEE) spectra were analyzed for two-dimensional atomic sheets using a time-dependent first-principles simulation of electron scattering. We demonstrate that the calculated ARSEE spectra capture the unoccupied band structure of the atomic sheets. The excitation dynamics that lead to SEE have also been revealed by the time-dependent Kohn-Sham decomposition scheme. In the present study, the mechanism for the experimentally observed ARSEE from atomic sheets is elucidated with respect to both energetics and the dynamical aspects of SEE.

A simple approach to spectrally resolved fluorescence and bright field microscopy over select regions of interest

OpenAIRE

Dahlberg, Peter D.; Boughter, Christopher T.; Faruk, Nabil F.; Hong, Lu; Koh, Young Hoon; Reyer, Matthew A.; Shaiber, Alon; Sherani, Aiman; Zhang, Jiacheng; Jureller, Justin E.; Hammond, Adam T.

2016-01-01

A standard wide field inverted microscope was converted to a spatially selective spectrally resolved microscope through the addition of a polarizing beam splitter, a pair of polarizers, an amplitude-mode liquid crystal-spatial light modulator, and a USB spectrometer. The instrument is capable of simultaneously imaging and acquiring spectra over user defined regions of interest. The microscope can also be operated in a bright-field mode to acquire absorption spectra of micron scale objects. Th...

Time-resolved laser-induced fluorescence system

Science.gov (United States)

Bautista, F. J.; De la Rosa, J.; Gallegos, F. J.

2006-02-01

Fluorescence methods are being used increasingly in the measurement of species concentrations in gases, liquids and solids. Laser induced fluorescence is spontaneous emission from atoms or molecules that have been excited by laser radiation. Here we present a time resolved fluorescence instrument that consists of a 5 μJ Nitrogen laser (337.1 nm), a sample holder, a quartz optical fiber, a spectrometer, a PMT and a PC that allows the measurement of visible fluorescence spectra (350-750 nm). Time response of the system is approximately 5 ns. The instrument has been used in the measurement of colored bond paper, antifreeze, diesel, cochineal pigment and malignant tissues. The data acquisition was achieved through computer control of a digital oscilloscope (using General Purpose Interface Bus GPIB) and the spectrometer via serial (RS232). The instrument software provides a graphic interface that lets make some data acquisition tasks like finding fluorescence spectra, and fluorescence lifetimes. The software was developed using the Lab-View 6i graphic programming package and can be easily managed in order to add more functions to it.

The environment of the fast rotating star Achernar. III. Photospheric parameters revealed by the VLTI

Science.gov (United States)

Domiciano de Souza, A.; Kervella, P.; Moser Faes, D.; Dalla Vedova, G.; Mérand, A.; Le Bouquin, J.-B.; Espinosa Lara, F.; Rieutord, M.; Bendjoya, P.; Carciofi, A. C.; Hadjara, M.; Millour, F.; Vakili, F.

2014-09-01

Context. Rotation significantly impacts on the structure and life of stars. In phases of high rotation velocity (close to critical), the photospheric structure can be highly modified, and present in particular geometrical deformation (rotation flattening) and latitudinal-dependent flux (gravity darkening). The fastest known rotators among the nondegenerate stars close to the main sequence, Be stars, are key targets for studying the effects of fast rotation on stellar photospheres. Aims: We seek to determine the purely photospheric parameters of Achernar based on observations recorded during an emission-free phase (normal B phase). Methods: Several recent works proved that optical/IR long-baseline interferometry is the only technique able to sufficiently spatially resolve and measure photospheric parameters of fast rotating stars. We thus analyzed ESO-VLTI (PIONIER and AMBER) interferometric observations of Achernar to measure its photospheric parameters by fitting our physical model CHARRON using a Markov chain Monte Carlo method. This analysis was also complemented by spectroscopic, polarimetric, and photometric observations to investigate the status of the circumstellar environment of Achernar during the VLTI observations and to cross-check our model-fitting results. Results: Based on VLTI observations that partially resolve Achernar, we simultaneously measured five photospheric parameters of a Be star for the first time: equatorial radius (equatorial angular diameter), equatorial rotation velocity, polar inclination, position angle of the rotation axis projected on the sky, and the gravity darkening β coefficient (effective temperature distribution). The close circumstellar environment of Achernar was also investigated based on contemporaneous polarimetry, spectroscopy, and interferometry, including image reconstruction. This analysis did not reveal any important circumstellar contribution, so that Achernar was essentially in a normal B phase at least from mid

Shaf rotation speed measurement device, its checking and variations checking

International Nuclear Information System (INIS)

Gadrault, Robert.

1976-01-01

Appliance for measuring the rotational speed of a shaft and monitoring of this speed and its changes. The uses to be made specifically concern the nuclear field and in this field the drive shafts of water coolant feed pumps. Detecting te rotation of the shaft concerned may be resolved with electronic sensors or proximity detectors which, because they are not in mechanical connexion with the shaft the speed of which they are to help detect, do not bring any lack of precision. The accuracy of the determination them depends only on the downstream processing of the data supplied by the sensor [fr

Characterizing the Resolved M6 Dwarf Twin LP 318-218AB

Science.gov (United States)

Moreno Hilario, Elizabeth; Burgasser, Adam J.; Bardalez Gagliuffi, Daniella; Tamiya, Tomoki

2017-01-01

The lowest-mass stars and brown dwarfs are among the most common objects in the Milky Way Galaxy, but theories of their formation and evolution remain poorly constrained. Binary systems are important for understanding the formation of these objects and for making direct orbit and mass measurements to validate evolutionary theories. We report the discovery of LP 318-218, a high proper motion late M dwarf, as a near equal-brightness binary system with a separation of 0.72 arcseconds. Resolved near-infrared spectroscopy confirms the components as nearly identical M6 twins. We using our resolved photometry and spectroscopy to estimate the distance, projected separation and tangential velocity of the system, and confirm common proper motion. We also perform atmosphere model fits to the resolved spectra to assess their physical properties. We place LP 318-218 in context with other widely-separated late M dwarf binaries.

Probing Vitamine C, Aspirin and Paracetamol in the Gas Phase: High Resolution Rotational Studies

Science.gov (United States)

Mata, S.; Cabezas, C.; Varela, M.; Pena, I.; Nino, A.; López, J. C.; Alonso, J. L.; Grabow, J.-U.

2011-06-01

A solid sample of Vitamin C (m.p. 190°C) vaporized by laser ablation has been investigated in gas phase and characterized through their rotational spectra. Two spectroscopy techniques has been used to obtain the spectra: a new design of broadband chirped pulse Fourier transform microwave spectroscopy with in-phase/quadrature-phase-modulation passage-acquired-coherence technique (IMPACT) and conventional laser ablation molecular beam Fourier transform microwave spectroscopy (LA-MB-FTMW). Up to now, two low-energy conformer have been observed and their rotational constants determined. Ab initio calculations at the MP2/6-311++G (d,p) level of theory predicted rotational constants which helped us to identify these conformers unequivocally. Among the molecules to benefit from the LA-MB-FTMW technique there are common important drugs never observed in the gas phase through rotational spectroscopy. We present here the results on acetyl salicylic acid and acetaminophen (m.p. 136°C), commonly known as aspirin and paracetamol respectively. We have observed two stable conformers of aspirin and two for paracetamol. The internal rotation barrier of the methyl group in aspirin has been determined for both conformers from the analysis of the A-E splittings due to the coupling of internal and overall rotation. J. L. Alonso, C. Pérez, M. E. Sanz, J. C. López, S. Blanco, Phys. Chem. Chem. Phys. 11,617-627 (2009)and references therein

Quantum translator-rotator: inelastic neutron scattering of dihydrogen molecules trapped inside anisotropic fullerene cages.

Science.gov (United States)

Horsewill, A J; Panesar, K S; Rols, S; Johnson, M R; Murata, Y; Komatsu, K; Mamone, S; Danquigny, A; Cuda, F; Maltsev, S; Grossel, M C; Carravetta, M; Levitt, M H

2009-01-09

We report an inelastic neutron scattering investigation of the quantum dynamics of hydrogen molecules trapped inside anisotropic fullerene cages. Transitions among the manifold of quantized rotational and translational states are directly observed. The spectra recorded as a function of energy and momentum transfer are interpreted in terms of the rotational potential and the cage dimensions. The thermodynamics of orthohydrogen and parahydrogen are investigated through temperature dependence measurements.

Identity of the SU(3) model phenomenological hamiltonian and the hamiltonian of nonaxial rotator

International Nuclear Information System (INIS)

Filippov, G.F.; Avramenko, V.I.; Sokolov, A.M.

1984-01-01

Interpretation of nonspheric atomic nuclei spectra on the basis of phenomenological hamiltonians of SU(3) model showed satisfactory agreement of simulation calculations with experimental data. Meanwhile physical sense of phenomenological hamiltonians was not yet discussed. It is shown that phenomenological hamiltonians of SU(3) model are reduced to hamiltonian of nonaxial rotator but with additional items of the third and fourth powers angular momentum operator of rotator

Electronic spectra from TDDFT and machine learning in chemical space

International Nuclear Information System (INIS)

Ramakrishnan, Raghunathan; Hartmann, Mia; Tapavicza, Enrico; Lilienfeld, O. Anatole von

2015-01-01

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities

Electronic spectra from TDDFT and machine learning in chemical space

Energy Technology Data Exchange (ETDEWEB)

Ramakrishnan, Raghunathan [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Hartmann, Mia; Tapavicza, Enrico, E-mail: Enrico.Tapavicza@csulb.edu [Department of Chemistry and Biochemistry, California State University, 1250 Bellflower Boulevard, Long Beach, California 90840 (United States); Lilienfeld, O. Anatole von, E-mail: anatole.vonlilienfeld@unibas.ch [Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, Illinois 60439 (United States)

2015-08-28

Due to its favorable computational efficiency, time-dependent (TD) density functional theory (DFT) enables the prediction of electronic spectra in a high-throughput manner across chemical space. Its predictions, however, can be quite inaccurate. We resolve this issue with machine learning models trained on deviations of reference second-order approximate coupled-cluster (CC2) singles and doubles spectra from TDDFT counterparts, or even from DFT gap. We applied this approach to low-lying singlet-singlet vertical electronic spectra of over 20 000 synthetically feasible small organic molecules with up to eight CONF atoms. The prediction errors decay monotonously as a function of training set size. For a training set of 10 000 molecules, CC2 excitation energies can be reproduced to within ±0.1 eV for the remaining molecules. Analysis of our spectral database via chromophore counting suggests that even higher accuracies can be achieved. Based on the evidence collected, we discuss open challenges associated with data-driven modeling of high-lying spectra and transition intensities.

Spin-orbit-coupled Bose-Einstein condensates of rotating polar molecules

Science.gov (United States)

Deng, Y.; You, L.; Yi, S.

2018-05-01

An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin 1 in the ground manifold 1Σ (υ =0 ) of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground rotational state and two substates from the first excited rotational level. Using hyperfine resolved Raman processes through two select excited states resonantly coupled by a microwave, an effective coupling between the spin tensor and linear momentum is realized. The properties of Bose-Einstein condensates for such SO-coupled molecules exhibiting dipolar interactions are further explored. In addition to the SO-coupling-induced stripe structures, the singly and doubly quantized vortex phases are found to appear, implicating exciting opportunities for exploring novel quantum physics using SO-coupled rotating polar molecules with dipolar interactions.

An EPR line shape study of anisotropic rotational reorientation and slow tumbling in liquid and frozen jojoba oil

Science.gov (United States)

Hwang, J. S.; Al-Rashid, W. A.

Spin probe investigation of jojoba oil was carried out by electron paramagnetic rresonance (EPR) spectroscopy. The spin probe used was 2,2,6,6-tetramethyl-4-piperidone- N-oxide. The EPR line shape studies were carried out in the lower temperature range of 192 to 275 K to test the applicability of the stochastic Liouville theory in the simulation of EPR line shapes where earlier relaxation theories do not apply. In an earlier study, this system was analysed by employing rotational diffusion at the fast-motional region. The results show that PD-Tempone exhibits asymmetric rotational diffusion with N = 3.3 at an axis z'= Y in the plane of the molecule and perpendicular to the NO bond direction. In this investigation we have extended the temperature range to lower temperatures and observed slow tumbling EPR spectra. It is shown that the stochastic Liouville method can be used to simulate all but two of the experimentally observed EPR spectra in the slow-motional region and details of the slow-motional line shape are sensitive to the anisotropy of rotation and showed good agreement for a moderate jump model. From the computer simulation of EPR line shapes it is found that the information obtained on τ R, and N in the motional-narrowing region can be extrapolated into the slow-tumbling region. It is also found that ln (τ R) is linear in 1/ T in the temperature range studied and the resulting activation energy for rotation is 51 kJ/mol. The two EPR spectra at 240 and 231 K were found to exhibit the effects of anisotropic viscosity observed by B IRELL for nitroxides oriented in tubular cavities in inclusion crystals in which the molecule is free to rotate about the long axis but with its rotation hindered about the other two axes because of the cavity geometry. These results proved that the slow-tumbling spectra were very sensitive to the effects of anisotropy in the viscosity.

Renner-Teller effects in the photoelectron spectra of CNC, CCN, and HCCN.

Science.gov (United States)

Coudert, Laurent H; Gans, Bérenger; Garcia, Gustavo A; Loison, Jean-Christophe

2018-02-07

The line intensity of photoelectron spectra when either the neutral or cationic species display a Renner-Teller coupling is derived and applied to the modeling of the photoelectron spectra of CNC, CCN, and HCCN. The rovibronic energy levels of these three radicals and of their cations are investigated starting from ab initio results. A model treating simultaneously the bending mode and the overall rotation is developed to deal with the quasilinearity problem in CNC + , CCN + , and HCCN and accounts for the large amplitude nature of their bending mode. This model is extended to treat the Renner-Teller coupling in CNC, CCN, and HCCN + . Based on the derived photoelectron line intensity, the photoelectron spectra of all three molecules are calculated and compared to the experimental ones.

An axis-specific rotational rainbow in the direct scatter of formaldehyde from Au(111) and its influence on trapping probability.

Science.gov (United States)

Park, G Barratt; Krüger, Bastian C; Meyer, Sven; Kandratsenka, Alexander; Wodtke, Alec M; Schäfer, Tim

2017-08-02

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 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 little detailed information is available about how the structure of nonlinear 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 the rotational distribution in formaldehyde molecules directly scattered from the Au(111) surface at incidence 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). Analysis suggests that the high degree of rotational excitation has a substantial influence on the trapping probability of formaldehyde at incidence translational energies above 0.5 eV.

General and efficient method for calculating modulation ressponses and noise spectra of active semiconductor waveguides

DEFF Research Database (Denmark)

Blaaberg, Søren; Öhman, Filip; Mørk, Jesper

2008-01-01

We present a theoretical method for obtaining small-signal responses in a spatially resolved active semiconductor waveguide including finite end-facet reflectivities and amplified spontaneous emission. RF-modulation responses and output noise spectra of an SOA are shown....

A 100 au Wide Bipolar Rotating Shell Emanating from the HH 212 Protostellar Disk: A Disk Wind?

Science.gov (United States)

Lee, Chin-Fei; Li, Zhi-Yun; Codella, Claudio; Ho, Paul T. P.; Podio, Linda; Hirano, Naomi; Shang, Hsien; Turner, Neal J.; Zhang, Qizhou

2018-03-01

HH 212 is a Class 0 protostellar system found to host a “hamburger”-shaped dusty disk with a rotating disk atmosphere and a collimated SiO jet at a distance of ∼400 pc. Recently, a compact rotating outflow has been detected in SO and SO2 toward the center along the jet axis at ∼52 au (0.″13) resolution. Here we resolve the compact outflow into a small-scale wide-opening rotating outflow shell and a collimated jet, with the observations in the same S-bearing molecules at ∼16 au (0.″04) resolution. The collimated jet is aligned with the SiO jet, tracing the shock interactions in the jet. The wide-opening outflow shell is seen extending out from the inner disk around the SiO jet and has a width of ∼100 au. It is not only expanding away from the center, but also rotating around the jet axis. The specific angular momentum of the outflow shell is ∼40 au km s‑1. Simple modeling of the observed kinematics suggests that the rotating outflow shell can trace either a disk wind or disk material pushed away by an unseen wind from the inner disk or protostar. We also resolve the disk atmosphere in the same S-bearing molecules, confirming the Keplerian rotation there.

Spatially resolved density and ionization measurements of shocked foams using x-ray fluorescence

Energy Technology Data Exchange (ETDEWEB)

MacDonald, M. J.; Keiter, P. A.; Montgomery, D. S.; Scott, H. A.; Biener, M. M.; Fein, J. R.; Fournier, K. B.; Gamboa, E. J.; Kemp, G. E.; Klein, S. R.; Kuranz, C. C.; LeFevre, H. J.; Manuel, M. J. -E.; Wan, W. C.; Drake, R. P.

2016-09-28

We present experiments at the Trident laser facility demonstrating the use of x-ray fluorescence (XRF) to simultaneously measure density, ionization state populations, and electron temperature in shocked foams. An imaging x-ray spectrometer obtained spatially resolved measurements of Ti K-α emission. Density profiles were measured from K-α intensity. Ti ionization state distributions and electron temperatures were inferred by fitting K-α spectra to spectra from CRETIN simulations. This work shows that XRF provides a powerful tool to complement other diagnostics to make equation of state measurements of shocked materials containing a suitable tracer element.

Raman Optical Activity and Raman Spectra of Amphetamine Species

DEFF Research Database (Denmark)

Berg, Rolf W.; Shim, Irene; White, Peter Cyril

2012-01-01

Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT-molecular orbi......Theoretical calculations and preliminary measurements of vibrational Raman optical activity (ROA) spectra of different species of amphetamine (amphetamine and amphetamine-H+) are reported for the first time. The quantum chemical calculations were carried out as hybrid ab initio DFT...... are employed for identification purposes. The DFT calculations show that the most stable conformations are those allowing for close contact between the aromatic ring and the amine hydrogen atoms. The internal rotational barrier within the same amphetamine enanti- omer has a considerable influence on the Raman...

An experimental investigation on the properties of laser-induced plasma emission spectra

International Nuclear Information System (INIS)

Tang Xiaoshuan; Li Chunyan; Ji Xuehan; Feng Eryin; Cui Zhifeng

2004-01-01

The authors have measured the time-resolved emission spectra produced by Nd: YAG laser induced Al plasma with different kinds of buffer gas (He, Ar, N 2 and Air). The dependence of emission spectra line intensity and Stark broadening on the time delay, kinds and pressure of buffer gas are studied. The results show that the atomic emission line intensity reaches maximum at 3 μs time delay, the Stark broadening increases with increasing the pressure of buffer gas, and decreases with increasing time delay. The Stark broadening in Ar buffer gas is largest among the four different kinds of buffer gas. (author)

The electronic spectra of FeH and TeO2

International Nuclear Information System (INIS)

Hullah, D.F.

1999-01-01

jet. Vibrational structure of an electronic transition was recorded and analysed yielding the vibrational frequencies of symmetric stretching and bending vibrations in upper and lower states. Six of the vibrational bands were re-recorded at rotational resolution using a frequency doubled Ti:Sapphire Ring Laser. The bands show evidence of tellurium isotope splitting which is barely resolved in all but the (0,2,0)-(0,0,0) band. Despite considerable efforts in the simulation of the rotationally resolved vibrational bands for this as yet unassigned electronic transition, the rotational structure remains unassigned. (author)

Ultrafast terahertz Faraday rotation in graphene

Energy Technology Data Exchange (ETDEWEB)

Heyman, J. N.; Foo Kune, R. F.; Alebachew, B. A.; Nguyen, M. D. [Macalester College, Saint Paul, Minnesota 55105 (United States); Robinson, J. T. [Naval Research Laboratory, Washington, DC 20375 (United States)

2014-12-07

Terahertz (THz) Faraday rotation measurements were performed to investigate carrier dynamics in p-type Chemical vapor deposition (CVD) graphene. We used static and time-resolved polarization-sensitive THz transmission measurements in a magnetic field to probe free carriers in GaAs, InP, and Graphene. Static measurements probe the equilibrium carrier density and momentum scattering rate. Time-resolved (optical pump/THz probe) measurements probe the change in these quantities following photoexcitation. In a typical CVD graphene sample, we found that 0.5 ps following photoexcitation with 1 × 10{sup 13} photons/cm{sup 2} pulses at 800 nm the effective hole scattering time decreased from 37 fs to 34.5 fs, while the carrier concentration increased from 2.0 × 10{sup 12} cm{sup −2} to 2.04 × 10{sup 12} cm{sup −2}, leading to a transient decrease in the conductivity of the film.

Faraday effect and λ-modulation absorption spectra of GaP

International Nuclear Information System (INIS)

Petkova, P N; Dimov, T N; Iliev, I A

2007-01-01

There are presented the absorption optical spectra of GaP measured by λ-modulation method at room temperature in the spectral region from 505 nm to 700 nm. It is not possible even by λ-modulation to be registered at room temperature the wave bands due to the exciton-phonon interaction. The absorption spectra of GaP carried out by a λ-modulation can be separated exactly in the spectral parts as follows: the transmittance region where the absorption is too slightly expressed; the region determined by the phonon-assisted indirect transitions; the region of the interband absorption. The purpose of Faraday rotation measurements is to establish the influence of the exciton-phonon interaction on the magneto-optical effect. The magneto-optical effect has been investigated by a φ-modulation. The spectral dependence of dn/dλ in the transmittance region is determined by the φ-modulated spectra

Discovery of a new motion mechanism of biomotors similar to the earth revolving around the sun without rotation.

Science.gov (United States)

Guo, Peixuan; Schwartz, Chad; Haak, Jeannie; Zhao, Zhengyi

2013-11-01

Biomotors have been classified into linear and rotational motors. For 35 years, it has been popularly believed that viral dsDNA-packaging apparatuses are pentameric rotation motors. Recently, a third class of hexameric motor has been found in bacteriophage phi29 that utilizes a mechanism of revolution without rotation, friction, coiling, or torque. This review addresses how packaging motors control dsDNA one-way traffic; how four electropositive layers in the channel interact with the electronegative phosphate backbone to generate four steps in translocating one dsDNA helix; how motors resolve the mismatch between 10.5 bases and 12 connector subunits per cycle of revolution; and how ATP regulates sequential action of motor ATPase. Since motors with all number of subunits can utilize the revolution mechanism, this finding helps resolve puzzles and debates concerning the oligomeric nature of packaging motors in many phage systems. This revolution mechanism helps to solve the undesirable dsDNA supercoiling issue involved in rotation. © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

Smart manipulation of ratio spectra for resolving a pharmaceutical mixture of Methocarbamol and Paracetamol

Science.gov (United States)

Essam, Hebatallah M.; Abd-El Rahman, Mohamed K.

2015-04-01

Two smart, specific, accurate and precise spectrophotometric methods manipulating ratio spectra are developed for simultaneous determination of Methocarbamol (METH) and Paracetamol (PAR) in their combined pharmaceutical formulation without preliminary separation. Method A, is an extended ratio subtraction one (EXRSM) coupled with ratio subtraction method (RSM), which depends on subtraction of the plateau values from the ratio spectrum. Method B is a ratio difference spectrophotometric one (RDM) which measures the difference in amplitudes of ratio spectra between 278 and 286 nm for METH and 247 and 260 nm for PAR. The calibration curves are linear over the concentration range of 10-100 μg mL-1 and 2-20 μg mL-1 for METH and PAR, respectively. The specificity of the developed methods was investigated by analyzing different laboratory prepared mixtures of the two drugs. Both methods were applied successfully for the determination of the selected drugs in their combined dosage form. Furthermore, validation was performed according to ICH guidelines; accuracy, precision and repeatability are found to be within the acceptable limits. Statistical studies showed that both methods can be competitively applied in quality control laboratories.

DISCOVERY OF TWO RARE RIGIDLY ROTATING MAGNETOSPHERE STARS IN THE APOGEE SURVEY

Energy Technology Data Exchange (ETDEWEB)

Eikenberry, Stephen S.; Garner, Alan [Department of Astronomy, University of Florida, 211 Bryant Space Science Center, Gainesville, FL 32611 (United States); Chojnowski, S. Drew; Majewski, Steven R.; Whelan, David G.; Borish, H. Jacob; Hearty, Fred; Li, Zhi-Yun; Nidever, David L.; Skrutskie, Michael [Department of Astronomy, University of Virginia, 530 McCormick Rd, Charlottesville, VA 22904 (United States); Wisniewski, John [Department of Astronomy, University of Oklahoma, 440 W. Brooks St., Norman, OK 73019 (United States); Shetrone, Matthew [University of Texas, McDonald Observatory, 3640 Dark Sky Drive, Fort Davis, TX (United States); Bizyaev, Dmitry; Ebelke, Garrett [Apache Point Observatory, 2001 Apache Point Rd, Sunspot, NM 88349 (United States); Davenport, James R. A. [Department of Astronomy, University of Washington, Box 351580, U.W., Seattle, WA 98195-1580 (United States); Feuillet, Diane; Holtzman, Jon [Department of Astronomy, New Mexico State University, 1780 E University Ave, Las Cruces, NM 88003 (United States); Frinchaboy, Peter M. [Department of Physics and Astronomy, Texas Christian University, Box 298840, Fort Worth, TX 76129 (United States); Mészáros, Sz. [Instituto de Astrofísica de Canarias (IAC), E-38200 La Laguna, Tenerife (Spain); Schneider, Donald P. [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Lab, University Park, PA 16802 (United States); and others

2014-04-01

The Apache Point Observatory Galactic Evolution Experiment (APOGEE)—one of the Sloan Digital Sky Survey III programs—is using near-infrared (NIR) spectra of ∼100,000 red giant branch star candidates to study the structure of the Milky Way. In the course of the survey, APOGEE also acquires spectra of hot field stars to serve as telluric calibrators for the primary science targets. We report the serendipitous discovery of two rare, fast-rotating B-stars of the σ Ori E type among those blue field stars observed during the first year of APOGEE operations. Both of the discovered stars display the spectroscopic signatures of rigidly rotating magnetospheres (RRM) common to this class of highly magnetized (B ∼ 10 kGauss) stars, increasing the number of known RRM stars by ∼10%. One (HD 345439) is a main-sequence B-star with unusually strong He absorption (similar to σ Ori E), while the other (HD 23478) fits a ''He-normal'' B3IV classification. We combine the APOGEE discovery spectra with other optical and NIR spectra of these two stars, and of σ Ori E itself, to show how NIR spectroscopy can be a uniquely powerful tool for discovering more of these rare objects, which may show little/no RRM signatures in their optical spectra. We discuss the potential for further discovery of σ Ori E type stars, as well as the implications of our discoveries for the population of these objects and insights into their origin and evolution.

DISCOVERY OF TWO RARE RIGIDLY ROTATING MAGNETOSPHERE STARS IN THE APOGEE SURVEY

International Nuclear Information System (INIS)

Eikenberry, Stephen S.; Garner, Alan; Chojnowski, S. Drew; Majewski, Steven R.; Whelan, David G.; Borish, H. Jacob; Hearty, Fred; Li, Zhi-Yun; Nidever, David L.; Skrutskie, Michael; Wisniewski, John; Shetrone, Matthew; Bizyaev, Dmitry; Ebelke, Garrett; Davenport, James R. A.; Feuillet, Diane; Holtzman, Jon; Frinchaboy, Peter M.; Mészáros, Sz.; Schneider, Donald P.

2014-01-01

The Apache Point Observatory Galactic Evolution Experiment (APOGEE)—one of the Sloan Digital Sky Survey III programs—is using near-infrared (NIR) spectra of ∼100,000 red giant branch star candidates to study the structure of the Milky Way. In the course of the survey, APOGEE also acquires spectra of hot field stars to serve as telluric calibrators for the primary science targets. We report the serendipitous discovery of two rare, fast-rotating B-stars of the σ Ori E type among those blue field stars observed during the first year of APOGEE operations. Both of the discovered stars display the spectroscopic signatures of rigidly rotating magnetospheres (RRM) common to this class of highly magnetized (B ∼ 10 kGauss) stars, increasing the number of known RRM stars by ∼10%. One (HD 345439) is a main-sequence B-star with unusually strong He absorption (similar to σ Ori E), while the other (HD 23478) fits a ''He-normal'' B3IV classification. We combine the APOGEE discovery spectra with other optical and NIR spectra of these two stars, and of σ Ori E itself, to show how NIR spectroscopy can be a uniquely powerful tool for discovering more of these rare objects, which may show little/no RRM signatures in their optical spectra. We discuss the potential for further discovery of σ Ori E type stars, as well as the implications of our discoveries for the population of these objects and insights into their origin and evolution

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.

Structure and dynamics of olefin radical cation aggregates. Time-resolved fluorescence detected magnetic resonance

International Nuclear Information System (INIS)

Desrosiers, M.F.; Trifunac, A.D.

1986-01-01

The time-resolved EPR spectra and thus the structure and dynamics of transient hydrocarbon radical cations are obtained by the pulse radiolysis-fluorescence detected magnetic resonance (FDMR) technique. Here the authors report the observation of short-lived radical cations from olefins. FDMR-EPR spectra of radical cations from tetramethylethylene and cyclohexadiene are illustrated. The olefin radical cations, FDMR spectra are concentration-dependent, since dimerization with neutral molecules takes place at higher (>10 -2 M) olefin concentration. Rate constants for the dimerization reaction are derived and the effect of solvent viscosity on aggregate formation is demonstrated. By monitoring the further reactions of dimer cations the authors have obtained EPR evidence for previously unobserved higher-order (multimer) radical cation aggregates of olefins. 16 references, 5 figures

Angle-resolved environmental X-ray photoelectron spectroscopy: A new laboratory setup for photoemission studies at pressures up to 0.4 Torr

International Nuclear Information System (INIS)

Mangolini, F.; Wabiszewski, G. E.; Egberts, P.; Åhlund, J.; Backlund, K.; Karlsson, P. G.; Adiga, V. P.; Streller, F.; Wannberg, B.; Carpick, R. W.

2012-01-01

The paper presents the development and demonstrates the capabilities of a new laboratory-based environmental X-ray photoelectron spectroscopy system incorporating an electrostatic lens and able to acquire spectra up to 0.4 Torr. The incorporation of a two-dimensional detector provides imaging capabilities and allows the acquisition of angle-resolved data in parallel mode over an angular range of 14° without tilting the sample. The sensitivity and energy resolution of the spectrometer have been investigated by analyzing a standard Ag foil both under high vacuum (10 −8 Torr) conditions and at elevated pressures of N 2 (0.4 Torr). The possibility of acquiring angle-resolved data at different pressures has been demonstrated by analyzing a silicon/silicon dioxide (Si/SiO 2 ) sample. The collected angle-resolved spectra could be effectively used for the determination of the thickness of the native silicon oxide layer.

Internal rotation in trifluoromethylsulfur pentafluoride: CF3SF5 by Fourier transform microwave spectroscopy

Science.gov (United States)

Hirota, Eizi; Kawasima, Yoshiyuki; Ajiki, Ken

2017-12-01

Trifluoromethylsulfur pentafluoride CF3SF5, which has been attracting much attention because of its unusually large global warming potential, was investigated by Fourier transform microwave spectroscopy in order to determine the twelve-fold potential barrier to internal rotation in this molecule. We have found the V12 value to be close to zero. Relaxation among internal-rotation and overall-rotation levels was found inhomogeneous, resulting in distributions quite different from thermal in low-temperature molecular beam, which might affect significantly thermodynamic properties of the molecule. Rotational spectra of the 13C species and the 34S species were also observed in natural abundance, leading to the rs Csbnd S bond length of 1.8808 (7) Å.

Evaluation of double differential yield as used for representation of neutron spectra

International Nuclear Information System (INIS)

Solieman, A.H.M.; Comsan, M.N.H.

2002-01-01

The neutron intensity for TOF spectra representation has, until now, only been expressed in terms of double differential yield; number of neutrons per unit charge per unit solid angle per unit neutron energy interval (i.e. neutron intensity at a given resolving power). For accelerator-based neutron sources, the double differential yield - in terms of neutron energy interval - is found to be affected by the kinematics of the neutron producing reaction, to produce intensity irrelevant spectra. The results affect not only the applications that depend on relative neutron intensities, but also the applications that depend on the neutron intensity-weighted integration of the neutron spectra (e.g. neutron average energy calculation, and dose calculation using kerma factors). Other definition of the double differential yield - in terms of projectile energy loss - is suggested to avoid the drawbacks of the old definition. The neutron spectra that are driven using the two definitions are discussed

Ap stars with resolved magnetically split lines: Magnetic field determinations from Stokes I and V spectra⋆

Science.gov (United States)

Mathys, G.

2017-05-01

Context. Some Ap stars that have a strong enough magnetic field and a sufficiently low v sini show spectral lines resolved into their magnetically split components. Aims: We present the results of a systematic study of the magnetic fields and other properties of those stars. Methods: This study is based on 271 new measurements of the mean magnetic field modulus ⟨ B ⟩ of 43 stars, 231 determinations of the mean longitudinal magnetic field ⟨ Bz ⟩ and of the crossover ⟨ Xz ⟩ of 34 stars, and 229 determinations of the mean quadratic magnetic field ⟨ Bq ⟩ of 33 stars. Those data were used to derive new values or meaningful lower limits of the rotation periods Prot of 21 stars. Variation curves of the mean field modulus were characterised for 25 stars, the variations of the longitudinal field were characterised for 16 stars, and the variations of the crossover and of the quadratic field were characterised for 8 stars. Our data are complemented by magnetic measurements from the literature for 41 additional stars with magnetically resolved lines. Phase coverage is sufficient to define the curve of variation of ⟨ B ⟩ for 2 of these stars. Published data were also used to characterise the ⟨ Bz ⟩ curves of variation for 10 more stars. Furthermore, we present 1297 radial velocity measurements of the 43 Ap stars in our sample that have magnetically resolved lines. Nine of these stars are spectroscopic binaries for which new orbital elements were derived. Results: The existence of a cut-off at the low end of the distribution of the phase-averaged mean magnetic field moduli ⟨ B ⟩ av of the Ap stars with resolved magnetically split lines, at about 2.8 kG, is confirmed. This reflects the probable existence of a gap in the distribution of the magnetic field strengths in slowly rotating Ap stars, below which there is a separate population of stars with fields weaker than 2 kG. In more than half of the stars with magnetically resolved lines that have a

Measurement of rotational dynamics by the simultaneous nonlinear analysis of optical and EPR data.

OpenAIRE

Hustedt, E J; Cobb, C E; Beth, A H; Beechem, J M

1993-01-01

In the preceding companion article in this issue, an optical dye and a nitroxide radical were combined in a new dual function probe, 5-SLE. In this report, it is demonstrated that time-resolved optical anisotropy and electron paramagnetic resonance (EPR) data can be combined in a single analysis to measure rotational dynamics. Rigid-limit and rotational diffusion models for simulating nitroxide EPR data have been incorporated into a general non-linear least-squares procedure based on the Marq...

Simulation of angle-resolved photoemission spectra by approximating the final state by a plane wave: From graphene to polycyclic aromatic hydrocarbon molecules

Energy Technology Data Exchange (ETDEWEB)

Puschnig, Peter, E-mail: peter.puschnig@uni-graz.at; Lüftner, Daniel

2015-04-15

Highlights: • Computational study on angular dependent photoemission spectroscopy. • Graphene and polycyclic aromatic hydrocarbon molecules. • Plane wave final state approximation accounts for experimental findings. - Abstract: We present a computational study on the angular-resolved photoemission spectra (ARPES) from a number of polycyclic aromatic hydrocarbons and graphene. Our theoretical approach is based on ab-initio density functional theory and the one-step model where we greatly simplify the evaluation of the matrix element by assuming a plane wave for the final state. Before comparing our ARPES simulations with available experimental data, we discuss how typical approximations for the exchange-correlation energy affect orbital energies. In particular, we show that by employing a hybrid functional, considerable improvement can be obtained over semi-local functionals in terms of band widths and relative energies of π and σ states. Our ARPES simulations for graphene show that the plane wave final state approximation provides indeed an excellent description when compared to experimental band maps and constant binding energy maps. Furthermore, our ARPES simulations for a number of polycyclic aromatic molecules from the oligo-acene, oligo-phenylene, phen-anthrene families as well as for disc-shaped molecules nicely illustrate the evolution of the electronic structure from molecules with increasing size towards graphene.

VizieR Online Data Catalog: DIB 661.3nm in Cepheid spectra (Kashuba+, 2016)

Science.gov (United States)

Kashuba, S. V.; Andrievsky, S. M.; Chekhonadskikh, F. A.; Luck, R. E.; Kovtyukh, V. V.; Korotin, S. A.; Krelowski, J.; Galazutdinov, G. A.

2017-11-01

We used spectra of Northern hemisphere Cepheids obtained by REL - one of the co-authors of this paper, with the High Resolution Spectrograph of the Hobby-Eberly Telescope at the McDonald Observatory of the University of Texas at Austin (Texas, USA) with the resolving power of 30000, a typical signal-to-noise ratio of about 100, and wavelength range of 435-780nm. A total of 253 Cepheid spectra were used in the research. We performed an investigation of the 661.356 nm DIB profile in 253 spectra of 176 Cepheids. After removal of the blending YII line the EW of each DIB was calculated for each spectrum. (1 data file).

Time-resolved pump-probe experiments at the LCLS

Energy Technology Data Exchange (ETDEWEB)

Glownia, James; /SLAC /Stanford U., Appl. Phys. Dept.; Cryan, J.; /SLAC /Stanford U., Phys. Dept.; Andreasson, J.; /Uppsala U.; Belkacem, A.; /LBNL, Berkeley; Berrah, N.; /Western Michigan U.; Blaga, C.L.; /Ohio State U.; Bostedt, C.; Bozek, J.; /SLAC; DiMauro, L.F.; /Ohio State U.; Fang, L.; /Western Michigan U.; Frisch, J.; /SLAC; Gessner, O.; /LBNL; Guhr, M.; /SLAC; Hajdu, J.; /Uppsala U.; Hertlein, M.P.; /LBNL; Hoener, M.; /Western Michigan U. /LBNL; Huang, G.; Kornilov, O.; /LBNL; Marangos, J.P.; /Imperial Coll., London; March, A.M.; /Argonne; McFarland, B.K.; /SLAC /Stanford U., Phys. Dept. /SLAC /IRAMIS, Saclay /Stanford U., Phys. Dept. /Georgia Tech /Argonne /Kansas State U. /SLAC /Stanford U., Phys. Dept. /SLAC /Stanford U., Appl. Phys. Dept. /Stanford U., Appl. Phys. Dept. /SLAC /LBNL /Argonne /SLAC /SLAC /Stanford U., Appl. Phys. Dept. /Stanford U., Phys. Dept.

2011-08-12

The first time-resolved x-ray/optical pump-probe experiments at the SLAC Linac Coherent Light Source (LCLS) used a combination of feedback methods and post-analysis binning techniques to synchronize an ultrafast optical laser to the linac-based x-ray laser. Transient molecular nitrogen alignment revival features were resolved in time-dependent x-ray-induced fragmentation spectra. These alignment features were used to find the temporal overlap of the pump and probe pulses. The strong-field dissociation of x-ray generated quasi-bound molecular dications was used to establish the residual timing jitter. This analysis shows that the relative arrival time of the Ti:Sapphire laser and the x-ray pulses had a distribution with a standard deviation of approximately 120 fs. The largest contribution to the jitter noise spectrum was the locking of the laser oscillator to the reference RF of the accelerator, which suggests that simple technical improvements could reduce the jitter to better than 50 fs.

ROTATION AND MAGNETIC ACTIVITY IN A SAMPLE OF M-DWARFS

International Nuclear Information System (INIS)

Browning, Matthew K.; Basri, Gibor; Marcy, Geoffrey W.; Zhang Jiahao; West, Andrew A.

2010-01-01

We have analyzed the rotational broadening and chromospheric activity in a sample of 123 M-dwarfs, using spectra taken at the W.M. Keck Observatory as part of the California Planet Search program. We find that only seven of these stars are rotating more rapidly than our detection threshold of v sin i ∼ 2.5 km s -1 . Rotation appears to be more common in stars later than M3 than in the M0-M2.5 mass range: we estimate that less than 10% of early-M stars are detectably rotating, whereas roughly a third of those later than M4 show signs of rotation. These findings lend support to the view that rotational braking becomes less effective in fully convective stars. By measuring the equivalent widths of the Ca II H and K lines for the stars in our sample, and converting these to approximate L Ca /L bol measurements, we also provide constraints on the connection between rotation and magnetic activity. Measurable rotation is a sufficient, but not necessary condition for activity in our sample: all the detectable rotators show strong Ca II emission, but so too do a small number of non-rotating stars, which we presume may lie at high inclination angles relative to our line of sight. Our data are consistent with a 'saturation-type' rotation-activity relationship, with activity roughly independent of rotation above a threshold velocity of less than 6 km s -1 . We also find weak evidence for a 'gap' in L Ca /L bol between a highly active population of stars, which typically are detected as rotators, and another much less active group.

A Spatially Resolved Study of the GRB 020903 Host Galaxy

Science.gov (United States)

Thorp, Mallory D.; Levesque, Emily M.

2018-03-01

GRB 020903 is a long-duration gamma-ray burst with a host galaxy close enough and extended enough for spatially resolved observations, making it one of less than a dozen GRBs where such host studies are possible. GRB 020903 lies in a galaxy host complex that appears to consist of four interacting components. Here we present the results of spatially resolved spectroscopic observations of the GRB 020903 host. By taking observations at two different position angles, we were able to obtain optical spectra (3600–9000 Å) of multiple regions in the galaxy. We confirm redshifts for three regions of the host galaxy that match that of GRB 020903. We measure the metallicity of these regions, and find that the explosion site and the nearby star-forming regions both have comparable subsolar metallicities. We conclude that, in agreement with past spatially resolved studies of GRBs, the GRB explosion site is representative of the host galaxy as a whole rather than localized in a metal-poor region of the galaxy.

The asymmetric rotator model applied to odd-mass iridium isotopes

International Nuclear Information System (INIS)

Piepenbring, R.

1980-04-01

The method of inversion of the eigenvalue problem previously developed for nuclei with axial symmetry is extended to asymmetric equilibrium shapes. This new approach of the asymmetric rotator model is applied to the odd-mass iridium isotopes. A satisfactory and coherent description of the observed energy spectra is obtained, especially for the lighter isotopes

Magneto-optical Faraday rotation of semiconductor nanoparticles embedded in dielectric matrices.

Science.gov (United States)

Savchuk, Andriy I; Stolyarchuk, Ihor D; Makoviy, Vitaliy V; Savchuk, Oleksandr A

2014-04-01

Faraday rotation has been studied for CdS, CdTe, and CdS:Mn semiconductor nanoparticles synthesized by colloidal chemistry methods. Additionally these materials were prepared in a form of semiconductor nanoparticles embedded in polyvinyl alcohol films. Transmission electron microscopy and atomic force microscopy analyses served as confirmation of nanocrystallinity and estimation of the average size of the nanoparticles. Spectral dependence of the Faraday rotation for the studied nanocrystals and nanocomposites is correlated with a blueshift of the absorption edge due to the confinement effect in zero-dimensional structures. Faraday rotation spectra and their temperature behavior in Mn-doped nanocrystals demonstrates peculiarities, which are associated with s, p-d exchange interaction between Mn²⁺ ions and band carriers in diluted magnetic semiconductor nanostructures.

Discovery of a new motion mechanism of biomotors similar to the earth revolving around the sun without rotation

International Nuclear Information System (INIS)

Guo, Peixuan; Schwartz, Chad; Haak, Jeannie; Zhao, Zhengyi

2013-01-01

Biomotors have been classified into linear and rotational motors. For 35 years, it has been popularly believed that viral dsDNA-packaging apparatuses are pentameric rotation motors. Recently, a third class of hexameric motor has been found in bacteriophage phi29 that utilizes a mechanism of revolution without rotation, friction, coiling, or torque. This review addresses how packaging motors control dsDNA one-way traffic; how four electropositive layers in the channel interact with the electronegative phosphate backbone to generate four steps in translocating one dsDNA helix; how motors resolve the mismatch between 10.5 bases and 12 connector subunits per cycle of revolution; and how ATP regulates sequential action of motor ATPase. Since motors with all number of subunits can utilize the revolution mechanism, this finding helps resolve puzzles and debates concerning the oligomeric nature of packaging motors in many phage systems. This revolution mechanism helps to solve the undesirable dsDNA supercoiling issue involved in rotation. - Highlights: • New motion mechanism of revolution without rotation found for phi29 DNA packaging. • Revolution motor finding expands classical linear and rotation biomotor classes. • Revolution motors transport dsDNA unidirectionally without supercoiling. • New mechanism solves many puzzles, mysteries, and debates in biomotor studies. • Motors with all numbers of subunits can utilize the revolution mechanism

Discovery of a new motion mechanism of biomotors similar to the earth revolving around the sun without rotation

Energy Technology Data Exchange (ETDEWEB)

Guo, Peixuan, E-mail: peixuan.guo@uky.edu; Schwartz, Chad; Haak, Jeannie; Zhao, Zhengyi

2013-11-15

Biomotors have been classified into linear and rotational motors. For 35 years, it has been popularly believed that viral dsDNA-packaging apparatuses are pentameric rotation motors. Recently, a third class of hexameric motor has been found in bacteriophage phi29 that utilizes a mechanism of revolution without rotation, friction, coiling, or torque. This review addresses how packaging motors control dsDNA one-way traffic; how four electropositive layers in the channel interact with the electronegative phosphate backbone to generate four steps in translocating one dsDNA helix; how motors resolve the mismatch between 10.5 bases and 12 connector subunits per cycle of revolution; and how ATP regulates sequential action of motor ATPase. Since motors with all number of subunits can utilize the revolution mechanism, this finding helps resolve puzzles and debates concerning the oligomeric nature of packaging motors in many phage systems. This revolution mechanism helps to solve the undesirable dsDNA supercoiling issue involved in rotation. - Highlights: • New motion mechanism of revolution without rotation found for phi29 DNA packaging. • Revolution motor finding expands classical linear and rotation biomotor classes. • Revolution motors transport dsDNA unidirectionally without supercoiling. • New mechanism solves many puzzles, mysteries, and debates in biomotor studies. • Motors with all numbers of subunits can utilize the revolution mechanism.

Femtosecond time-resolved vibrational SFG spectroscopy of CO/Ru( 0 0 1 )

Science.gov (United States)

Hess, Ch.; Wolf, M.; Roke, S.; Bonn, M.

2002-04-01

Vibrational sum-frequency generation (SFG) employing femtosecond infrared (IR) laser pulses is used to study the dynamics of the C-O stretch vibration on Ru(0 0 1). Time-resolved measurements of the free induction decay (FID) of the IR-polarization for 0.33 ML CO/Ru(0 0 1) exhibit single exponential decays over three decades corresponding to dephasing times of T2=1.94 ps at 95 K and T2=1.16 ps at 340 K. This is consistent with pure homogeneous broadening due to anharmonic coupling with the thermally activated low-frequency dephasing mode together with a contribution from saturation of the IR transition. In pump-probe SFG experiments using a strong visible (VIS) pump pulse the perturbation of the FID leads to transient line shifts even at negative delay times, i.e. when the IR-VIS SFG probe pair precedes the pump pulse. Based on an analysis of the time-dependent polarization we discuss the influence of the perturbed FID on time-resolved SFG spectra. We investigate how coherent effects affect the SFG spectra and we examine the time resolution in these experiments, in particular in dependence of the dephasing time.

Faraday rotation in multiple quantum wells of GaAs/AlGaAs

International Nuclear Information System (INIS)

Dudziak, E.; Bozym, J.; Prochnik, D.; Wasilewski, Z.R.

1996-01-01

We report on the results of first measurements on the Faraday rotation of modulated n-doped multiple quantum wells of GaAs/Al x Ga 1-x As (x = 0.312). The measurements have been performed in the magnetic fields up to 13 T at the temperature of 2 K, in the spectral region of interband transitions. A rich structure of magneto-excitons has been found in the measured spectra. Faraday rotation (phase) measurements are proposed as an alternative method to the photoluminescence excitation for investigations of magneto-excitons in quantum wells. The dependence of measured Faraday rotation on magnetic field and hypothetical connections with quantum Hall effect are also discussed. (author)

Spectra of γ-rays from capture of 2 eV to 9 x 104 eV neutrons by 181Ta

International Nuclear Information System (INIS)

Stelts, M.L.

Using new experimental techniques, the spectra of γ-rays from the capture of neutrons by 181 Ta were measured at the Livermore 100-MeV linac for neutrons from 2 eV to 9 x 10 4 eV with a (Ge(Li)-NaI) three-crystal spectrometer. Individual primary γ-ray lines were resolved to 1778-keV excitation in 182 Ta. Neutron resonances were resolved to 200-eV neutron energy. Data analysis techniques and codes were developed to extract positions and intensities of resolved transitions from the large data matrices accumulated in this experiment. Techniques were developed to unfold the unresolved γ-ray spectra using the simple response of the three-crystal spectrometer. The resolved transition data were used to place 110 states with spin and parity assignments in the 182 Ta level diagram below 1780-keV excitation. A set of 1240 E1 transition strengths were analyzed to extract 1.38 +- 0.11 degrees of freedom for the most likely chisquared fit to the distribution of widths. The E1 strength function was extracted for E/sub gamma/ = 4 to 6 MeV and compared with previous results. The γ-ray spectra for E/sub gamma/ = 1.5 to 6.1 MeV were unfolded for neutron energy groups between 20 and 9 x 10 4 eV. Below 5-MeV γ-ray energy no dependence of the spectral shape on neu []ron energy was observed. (30 figures, 4 tables) (auth)

Mapping Rotational Wavepacket Dynamics with Chirped Probe Pulses

Science.gov (United States)

Romanov, Dmitri; Odhner, Johanan; Levis, Robert

2014-05-01

We develop an analytical model description of the strong-field pump-probe polarization spectroscopy of rotational transients in molecular gases in a situation when the probe pulse is considerably chirped: the frequency modulation over the pulse duration is comparable with the carrier frequency. In this scenario, a femtosecond pump laser pulse prepares a rotational wavepacket in a gas-phase sample at room temperature. The rotational revivals of the wavepacket are then mapped onto a chirped broadband probe pulse derived from a laser filament. The slow-varying envelope approximation being inapplicable, an alternative approach is proposed which is capable of incorporating the substantial chirp and the related temporal dispersion of refractive indices. Analytical expressions are obtained for the probe signal modulation over the interaction region and for the resulting heterodyned transient birefringence spectra. Dependencies of the outputs on the probe pulse parameters reveal the trade-offs and the ways to optimize the temporal-spectral imaging. The results are in good agreement with the experiments on snapshot imaging of rotational revival patterns in nitrogen gas. We gratefully acknowledge financial support through AFOSR MURI Grant No. FA9550-10-1-0561.

SPATIALLY RESOLVED GAS KINEMATICS WITHIN A Lyα NEBULA: EVIDENCE FOR LARGE-SCALE ROTATION

Energy Technology Data Exchange (ETDEWEB)

Prescott, Moire K. M. [Dark Cosmology Centre, Niels Bohr Institute, University of Copenhagen, Juliane Maries Vej 30, DK-2100 Copenhagen (Denmark); Martin, Crystal L. [Department of Physics, Broida Hall, Mail Code 9530, University of California, Santa Barbara, CA 93106 (United States); Dey, Arjun, E-mail: mkmprescott@dark-cosmology.dk [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States)

2015-01-20

We use spatially extended measurements of Lyα as well as less optically thick emission lines from an ≈80 kpc Lyα nebula at z ≈ 1.67 to assess the role of resonant scattering and to disentangle kinematic signatures from Lyα radiative transfer effects. We find that the Lyα, C IV, He II, and C III] emission lines all tell a similar story in this system, and that the kinematics are broadly consistent with large-scale rotation. First, the observed surface brightness profiles are similar in extent in all four lines, strongly favoring a picture in which the Lyα photons are produced in situ instead of being resonantly scattered from a central source. Second, we see low kinematic offsets between Lyα and the less optically thick He II line (∼100-200 km s{sup –1}), providing further support for the argument that the Lyα and other emission lines are all being produced within the spatially extended gas. Finally, the full velocity field of the system shows coherent velocity shear in all emission lines: ≈500 km s{sup –1} over the central ≈50 kpc of the nebula. The kinematic profiles are broadly consistent with large-scale rotation in a gas disk that is at least partially stable against collapse. These observations suggest that the Lyα nebula represents accreting material that is illuminated by an offset, hidden active galactic nucleus or distributed star formation, and that is undergoing rotation in a clumpy and turbulent gas disk. With an implied mass of M(

Respiratory motion-resolved, self-gated 4D-MRI using Rotating Cartesian K-space (ROCK): Initial clinical experience on an MRI-guided radiotherapy system.

Science.gov (United States)

Han, Fei; Zhou, Ziwu; Du, Dongsu; Gao, Yu; Rashid, Shams; Cao, Minsong; Shaverdian, Narek; Hegde, John V; Steinberg, Michael; Lee, Percy; Raldow, Ann; Low, Daniel A; Sheng, Ke; Yang, Yingli; Hu, Peng

2018-06-01

To optimize and evaluate the respiratory motion-resolved, self-gated 4D-MRI using Rotating Cartesian K-space (ROCK-4D-MRI) method in a 0.35 T MRI-guided radiotherapy (MRgRT) system. The study included seven patients with abdominal tumors treated on the MRgRT system. ROCK-4D-MRI and 2D-CINE, was performed immediately after one of the treatment fractions. Motion quantification based on 4D-MRI was compared with those based on 2D-CINE. The image quality of 4D-MRI was evaluated against 4D-CT. The gross tumor volumes (GTV) were defined based on individual respiratory phases of both 4D-MRI and 4D-CT and compared for their variability over the respiratory cycle. The motion measurements based on 4D-MRI matched well with 2D-CINE, with differences of 1.04 ± 0.52 mm in the superior-inferior and 0.54 ± 0.21 mm in the anterior-posterior directions. The image quality scores of 4D-MRI were significantly higher than 4D-CT, with better tumor contrast (3.29 ± 0.76 vs. 1.86 ± 0.90) and less motion artifacts (3.57 ± 0.53 vs. 2.29 ± 0.95). The GTVs were more consistent in 4D-MRI than in 4D-CT, with significantly smaller GTV variability (9.31 ± 4.58% vs. 34.27 ± 23.33%). Our study demonstrated the clinical feasibility of using the ROCK-4D-MRI to acquire high quality, respiratory motion-resolved 4D-MRI in a low-field MRgRT system. The 4D-MRI image could provide accurate dynamic information for radiotherapy treatment planning. Copyright © 2018 Elsevier B.V. All rights reserved.

Comparison of Large eddy dynamo simulation using dynamic sub-grid scale (SGS) model with a fully resolved direct simulation in a rotating spherical shell

Science.gov (United States)

Matsui, H.; Buffett, B. A.

2017-12-01

The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.

Commutator perturbation method in the study of vibrational-rotational spectra of diatomic molecules

International Nuclear Information System (INIS)

Matamala-Vasquez, A.; Karwowski, J.

2000-01-01

The commutator perturbation method, an algebraic version of the Van Vleck-Primas perturbation method, expressed in terms of ladder operators, has been applied to solving the eigenvalue problem of the Hamiltonian describing the vibrational-rotational motion of a diatomic molecule. The physical model used in this work is based on Dunham's approach. The method facilitates obtaining both energies and eigenvectors in an algebraic way

Comparison of optical and electron spectra in an infra-red free electron laser

Energy Technology Data Exchange (ETDEWEB)

MacLeod, A.M.; Gillespie, W.A.; Martin, P.F. [Univ. of Abertay, Dundee (United Kingdom)] [and others

1995-12-31

Time-resolved electron and optical spectra recently acquired at the FELIX facility are presented, showing the evolution of the respective macropulses. A comparison is made between the optical power output during the macropulse and the measured power extracted from the electron beam using a simple model of the cavity losses. Data are available for a wide range of operating conditions: the wavelength range is from 9 {mu}m to 28 {mu}m and detuning are between 1/4{lambda} and 2{lambda}. The effect of rapid electron beam energy changes on the optical and electron spectra will also be discussed.

Nonlinear dynamics and anisotropic structure of rotating sheared turbulence.

Science.gov (United States)

Salhi, A; Jacobitz, F G; Schneider, K; Cambon, C

2014-01-01

Homogeneous turbulence in rotating shear flows is studied by means of pseudospectral direct numerical simulation and analytical spectral linear theory (SLT). The ratio of the Coriolis parameter to shear rate is varied over a wide range by changing the rotation strength, while a constant moderate shear rate is used to enable significant contributions to the nonlinear interscale energy transfer and to the nonlinear intercomponental redistribution terms. In the destabilized and neutral cases, in the sense of kinetic energy evolution, nonlinearity cannot saturate the growth of the largest scales. It permits the smallest scale to stabilize by a scale-by-scale quasibalance between the nonlinear energy transfer and the dissipation spectrum. In the stabilized cases, the role of rotation is mainly nonlinear, and interacting inertial waves can affect almost all scales as in purely rotating flows. In order to isolate the nonlinear effect of rotation, the two-dimensional manifold with vanishing spanwise wave number is revisited and both two-component spectra and single-point two-dimensional energy components exhibit an important effect of rotation, whereas the SLT as well as the purely two-dimensional nonlinear analysis are unaffected by rotation as stated by the Proudman theorem. The other two-dimensional manifold with vanishing streamwise wave number is analyzed with similar tools because it is essential for any shear flow. Finally, the spectral approach is used to disentangle, in an analytical way, the linear and nonlinear terms in the dynamical equations.

Thin accretion disk signatures of slowly rotating black holes in Horava gravity

International Nuclear Information System (INIS)

Harko, Tiberiu; Kovacs, Zoltan; Lobo, Francisco S N

2011-01-01

In this work, we consider the possibility of observationally testing Horava gravity by using the accretion disk properties around slowly rotating black holes of the Kehagias-Sfetsos (KS) solution in asymptotically flat spacetimes. The energy flux, temperature distribution, the emission spectrum as well as the energy conversion efficiency are obtained, and compared to the standard slowly rotating general relativistic Kerr solution. Comparing the mass accretion in a slowly rotating KS geometry in Horava gravity with the one of a slowly rotating Kerr black hole, we verify that the intensity of the flux emerging from the disk surface is greater for the slowly rotating Kehagias-Sfetsos solution than for rotating black holes with the same geometrical mass and accretion rate. We also present the conversion efficiency of the accreting mass into radiation, and show that the rotating KS solution provides a much more efficient engine for the transformation of the accreting mass into radiation than the Kerr black holes. Thus, distinct signatures appear in the electromagnetic spectrum, leading to the possibility of directly testing Horava gravity models by using astrophysical observations of the emission spectra from accretion disks.

Thin accretion disk signatures of slowly rotating black holes in Horava gravity

Energy Technology Data Exchange (ETDEWEB)

Harko, Tiberiu; Kovacs, Zoltan [Department of Physics and Center for Theoretical and Computational Physics, University of Hong Kong, Pok Fu Lam Road (Hong Kong); Lobo, Francisco S N, E-mail: harko@hkucc.hku.hk, E-mail: zkovacs@hku.hk, E-mail: flobo@cii.fc.ul.pt [Centro de Astronomia e Astrofisica da Universidade de Lisboa, Campo Grande, Ed. C8 1749-016 Lisboa (Portugal)

2011-08-21

In this work, we consider the possibility of observationally testing Horava gravity by using the accretion disk properties around slowly rotating black holes of the Kehagias-Sfetsos (KS) solution in asymptotically flat spacetimes. The energy flux, temperature distribution, the emission spectrum as well as the energy conversion efficiency are obtained, and compared to the standard slowly rotating general relativistic Kerr solution. Comparing the mass accretion in a slowly rotating KS geometry in Horava gravity with the one of a slowly rotating Kerr black hole, we verify that the intensity of the flux emerging from the disk surface is greater for the slowly rotating Kehagias-Sfetsos solution than for rotating black holes with the same geometrical mass and accretion rate. We also present the conversion efficiency of the accreting mass into radiation, and show that the rotating KS solution provides a much more efficient engine for the transformation of the accreting mass into radiation than the Kerr black holes. Thus, distinct signatures appear in the electromagnetic spectrum, leading to the possibility of directly testing Horava gravity models by using astrophysical observations of the emission spectra from accretion disks.

Studying electron distributions using the time-resolved free-bound spectra from coronal plasmas

International Nuclear Information System (INIS)

Matthews, D.L.; Kauffman, R.L.; Kilkenny, J.D.; Lee, R.W.

1982-11-01

Absorption of laser light in a plasma by inverse bremsstrahlung, I.B., can lead to a non-Maxwellian velocity distribution provided the electron-elecron collision frequency is too low to equilibrate the velocity distribution in the coronal plasma region of a laser heated aluminum disk by measuring the radiation recombination continuum. The experiments are performed using lambda/sub L/ = 0.532 μm laser light at intensities of approx. 10 16 W/cm 2 . Such parameters are predicted to produce conditions suitable for a non-thermal electron distribution. The shape of the K-shell recombination radiation has been measured using a time-resolved x-ray spectrograph. The electron distribution can be determined from deconvolution of the recombination continuum shape

Braked rotation of CH3 group in L-alanine monocrystals: temperature transformation of EPR spectrum

International Nuclear Information System (INIS)

Lemanov, V.V.; Sochava, L.S.

2003-01-01

EPR spectra temperature transformation of the irradiated alanine crystals is used for studying rotation of CH 3 methyl group in L-alamine monocrystals. 60 Co (2 x 10 4 Gy dose) was applied as a γ-radiation source. The simple method of experimental data processing which is reduced to obtaining the resonance lines width dependence on the temperature is used for the quantitative analysis of the spectrum temperature transformation. Temperature dependence of the CH 3 group rotation frequency is identified on the basis of these data. Activation energy U = 0.18 eV and pre-exponential multiplier ω 0 = 10 13 s -1 are determined from the EPR spectra temperature transformation which are in good agreement with values obtained earlier from the measurements of the proton spin-lattice relaxation in alanine polycrystal samples [ru

Computer code for qualitative analysis of gamma-ray spectra

International Nuclear Information System (INIS)

Yule, H.P.

1979-01-01

Computer code QLN1 provides complete analysis of gamma-ray spectra observed with Ge(Li) detectors and is used at both the National Bureau of Standards and the Environmental Protection Agency. It locates peaks, resolves multiplets, identifies component radioisotopes, and computes quantitative results. The qualitative-analysis (or component identification) algorithms feature thorough, self-correcting steps which provide accurate isotope identification in spite of errors in peak centroids, energy calibration, and other typical problems. The qualitative-analysis algorithm is described in this paper

Nuclear viscosity of hot rotating 240Cf

International Nuclear Information System (INIS)

Shaw, N. P.; Dioszegi, I.; Mazumdar, I.; Buda, A.; Morton, C. R.; Velkovska, J.; Beene, J. R.; Stracener, D. W.; Varner, R. L.; Thoennessen, M.

2000-01-01

The absolute γ-ray/fission multiplicities from hot rotating 240 Cf, populated at seven bombarding energies using the reaction 32 S+ 208 Pb, are reported. Statistical model calculations including nuclear dissipation have been performed to extract the dependence of the nuclear viscosity on temperature and/or nuclear deformation. The extracted nuclear dissipation coefficient is found to be independent of temperature. Large dissipation during the saddle to scission path provides a good fit to the γ-ray spectra. (c) 2000 The American Physical Society

Analysis and implementation of a space resolving spherical crystal spectrometer for x-ray Thomson scattering experiments.

Science.gov (United States)

Harding, E C; Ao, T; Bailey, J E; Loisel, G; Sinars, D B; Geissel, M; Rochau, G A; Smith, I C

2015-04-01

The application of a space-resolving spectrometer to X-ray Thomson Scattering (XRTS) experiments has the potential to advance the study of warm dense matter. This has motivated the design of a spherical crystal spectrometer, which is a doubly focusing geometry with an overall high sensitivity and the capability of providing high-resolution, space-resolved spectra. A detailed analysis of the image fluence and crystal throughput in this geometry is carried out and analytical estimates of these quantities are presented. This analysis informed the design of a new spectrometer intended for future XRTS experiments on the Z-machine. The new spectrometer collects 6 keV x-rays with a spherically bent Ge (422) crystal and focuses the collected x-rays onto the Rowland circle. The spectrometer was built and then tested with a foam target. The resulting high-quality spectra prove that a spherical spectrometer is a viable diagnostic for XRTS experiments.

Translational, rotational, vibrational and electron temperatures of a gliding arc discharge

DEFF Research Database (Denmark)

Zhu, Jiajian; Ehn, Andreas; Gao, Jinlong

2017-01-01

, 0) band was used to simulate the rotational temperature (Tr) of the gliding arc discharge whereas the NO A–X (1, 0) and (0, 1) bands were used to determine its vibrational temperature (Tv). The instantaneous reduced electric field strength E/N was obtained by simultaneously measuring......Translational, rotational, vibrational and electron temperatures of a gliding arc discharge in atmospheric pressure air were experimentally investigated using in situ, non-intrusive optical diagnostic techniques. The gliding arc discharge was driven by a 35 kHz alternating current (AC) power source...... and operated in a glow-type regime. The two-dimensional distribution of the translational temperature (Tt) of the gliding arc discharge was determined using planar laser-induced Rayleigh scattering. The rotational and vibrational temperatures were obtained by simulating the experimental spectra. The OH A–X (0...

Resonant-enhanced spectroscopy of molecular rotations with a scanning tunneling microscope.

Science.gov (United States)

Natterer, Fabian Donat; Patthey, François; Brune, Harald

2014-07-22

We use rotational excitation spectroscopy with a scanning tunneling microscope to investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride (h-BN), grown on Ni(111), Ru(0001), and Rh(111). The rotational excitation energies are in good agreement with ΔJ = 2 transitions of freely spinning p-H2 and o-D2 molecules. The variations of the spectral line shapes for H2 among the different surfaces can be traced back to a molecular resonance-mediated tunneling mechanism. Our data for H2/h-BN/Rh(111) suggest a local intrinsic gating on this surface due to lateral static dipoles. Spectra on a mixed monolayer of H2, HD, and D2 display all three J = 0 → 2 rotational transitions, irrespective of tip position, thus pointing to a multimolecule excitation, or molecular mobility in the physisorbed close-packed layer.

Understanding reliability and some limitations of the images and spectra reconstructed from a multi-monochromatic x-ray imager

Science.gov (United States)

Nagayama, T.; Mancini, R. C.; Mayes, D.; Tommasini, R.; Florido, R.

2015-11-01

Temperature and density asymmetry diagnosis is critical to advance inertial confinement fusion (ICF) science. A multi-monochromatic x-ray imager (MMI) is an attractive diagnostic for this purpose. The MMI records the spectral signature from an ICF implosion core with time resolution, 2-D space resolution, and spectral resolution. While narrow-band images and 2-D space-resolved spectra from the MMI data constrain temperature and density spatial structure of the core, the accuracy of the images and spectra depends not only on the quality of the MMI data but also on the reliability of the post-processing tools. Here, we synthetically quantify the accuracy of images and spectra reconstructed from MMI data. Errors in the reconstructed images are less than a few percent when the space-resolution effect is applied to the modeled images. The errors in the reconstructed 2-D space-resolved spectra are also less than a few percent except those for the peripheral regions. Spectra reconstructed for the peripheral regions have slightly but systematically lower intensities by ˜6% due to the instrumental spatial-resolution effects. However, this does not alter the relative line ratios and widths and thus does not affect the temperature and density diagnostics. We also investigate the impact of the pinhole size variation on the extracted images and spectra. A 10% pinhole size variation could introduce spatial bias to the images and spectra of ˜10%. A correction algorithm is developed, and it successfully reduces the errors to a few percent. It is desirable to perform similar synthetic investigations to fully understand the reliability and limitations of each MMI application.

Understanding reliability and some limitations of the images and spectra reconstructed from a multi-monochromatic x-ray imager

International Nuclear Information System (INIS)

Nagayama, T.; Mancini, R. C.; Mayes, D.; Tommasini, R.; Florido, R.

2015-01-01

Temperature and density asymmetry diagnosis is critical to advance inertial confinement fusion (ICF) science. A multi-monochromatic x-ray imager (MMI) is an attractive diagnostic for this purpose. The MMI records the spectral signature from an ICF implosion core with time resolution, 2-D space resolution, and spectral resolution. While narrow-band images and 2-D space-resolved spectra from the MMI data constrain temperature and density spatial structure of the core, the accuracy of the images and spectra depends not only on the quality of the MMI data but also on the reliability of the post-processing tools. Here, we synthetically quantify the accuracy of images and spectra reconstructed from MMI data. Errors in the reconstructed images are less than a few percent when the space-resolution effect is applied to the modeled images. The errors in the reconstructed 2-D space-resolved spectra are also less than a few percent except those for the peripheral regions. Spectra reconstructed for the peripheral regions have slightly but systematically lower intensities by ∼6% due to the instrumental spatial-resolution effects. However, this does not alter the relative line ratios and widths and thus does not affect the temperature and density diagnostics. We also investigate the impact of the pinhole size variation on the extracted images and spectra. A 10% pinhole size variation could introduce spatial bias to the images and spectra of ∼10%. A correction algorithm is developed, and it successfully reduces the errors to a few percent. It is desirable to perform similar synthetic investigations to fully understand the reliability and limitations of each MMI application

Understanding reliability and some limitations of the images and spectra reconstructed from a multi-monochromatic x-ray imager.

Science.gov (United States)

Nagayama, T; Mancini, R C; Mayes, D; Tommasini, R; Florido, R

2015-11-01

Temperature and density asymmetry diagnosis is critical to advance inertial confinement fusion (ICF) science. A multi-monochromatic x-ray imager (MMI) is an attractive diagnostic for this purpose. The MMI records the spectral signature from an ICF implosion core with time resolution, 2-D space resolution, and spectral resolution. While narrow-band images and 2-D space-resolved spectra from the MMI data constrain temperature and density spatial structure of the core, the accuracy of the images and spectra depends not only on the quality of the MMI data but also on the reliability of the post-processing tools. Here, we synthetically quantify the accuracy of images and spectra reconstructed from MMI data. Errors in the reconstructed images are less than a few percent when the space-resolution effect is applied to the modeled images. The errors in the reconstructed 2-D space-resolved spectra are also less than a few percent except those for the peripheral regions. Spectra reconstructed for the peripheral regions have slightly but systematically lower intensities by ∼6% due to the instrumental spatial-resolution effects. However, this does not alter the relative line ratios and widths and thus does not affect the temperature and density diagnostics. We also investigate the impact of the pinhole size variation on the extracted images and spectra. A 10% pinhole size variation could introduce spatial bias to the images and spectra of ∼10%. A correction algorithm is developed, and it successfully reduces the errors to a few percent. It is desirable to perform similar synthetic investigations to fully understand the reliability and limitations of each MMI application.

Inverted spin sequences in the spectra of odd-odd nuclei in the 2S-1d and 2P-1f shells

International Nuclear Information System (INIS)

Sharma, Arvind; Sharma, S.D.

1990-01-01

In case of odd-odd nuclei, near magic numbers, there are found inverted sequences as well as few rotational members. In order to explain the unique feature of the spectra of odd-odd nuclei, we have applied modified form of rotational-vibrational model with two parameters A and B. It is found that level orders in inverted as well as in rotational sequences are very well reproduced on the basis of this model. In case of inverted spin sequences, the sign of B is found to be positive. The ratio of B/A is ≅ 10 -2 as compared to its value of the order of 10 -3 in case of even-even and odd-A nuclei. We infer that pair correlations are responsible for these invertions. The simple model applied here worked well to predict these inverted spectra. (author)

Rotational structure of the five lowest frequency fundamental vibrational states of dimethylsulfoxide

Science.gov (United States)

Cuisset, Arnaud; Drumel, Marie-Aline Martin; Hindle, Francis; Mouret, Gaël; Sadovskií, Dmitrií A.

2013-10-01

We report on the successful extended analysis of the high-frequency (200-700 GHz) part of the gas phase (sub)mm-wave spectra of dimethylsulfoxide (DMSO). The spectrum was recorded at 100 kHz resolution using a solid state subTHz spectrometer. The five lowest energy fundamental vibrational states of DMSO with frequencies below 400 cm-1 were observed as sidebands along with the main 0←0 band. Neglecting the internal rotation of methyls, our rotational Hamiltonian reproduced the spectrum to the subMHz accuracy. We have found that the asymmetric bending state ν23 is the only low frequency fundamental vibrational state with the "anomalous" rotational structure uncovered in Cuisset et al. [1]. dmsomw 2013-09-04 15:03

Ab initio predictions on the rotational spectra of carbon-chain carbene molecules

Science.gov (United States)

Maluendes, S. A.; McLean, A. D.; Loew, G. H. (Principal Investigator)

1992-01-01

We predict rotational constants for the carbon-chain molecules H2C=(C=)nC, n=3-8, using ab initio computations, observed values for the earlier members in the series, H2CCC and H2CCCC with n=1 and 2, and empirical geometry corrections derived from comparison of computation and experiment on related molecules. H2CCC and H2CCCC have already been observed by radioastronomy; higher members in the series, because of their large dipole moments, which we have calculated, are candidates for astronomical searches. Our predictions can guide searches and assist in both astronomical and laboratory detection.

Spin-Resolved Photoemission on Anti-Ferromagnets: Direct Observation of Zhang-Rice Singlets in CuO

NARCIS (Netherlands)

Tjeng, L.H.; Sinkovic, B.; Brookes, N.B.; Goedkoop, J.B.; Hesper, R.; Pellegrin, E.; Groot, F.M.F. de; Altieri, S.; Hulbert, S.L.; Shekel, E.; Sawatzky, G.A.

1997-01-01

We demonstrate that it is possible to obtain spin-resolved valence band spectra with a very high degree of spin polarization from antiferromagnetic transition metal materials if the excitation light is circularly polarized and has an energy close to the cation 2p3/2 (L3) white line. We are able to

Femtosecond time-resolved studies of coherent vibrational Raman scattering in large gas-phase molecules

International Nuclear Information System (INIS)

Hayden, C.C.; Chandler, D.W.

1995-01-01

Results are presented from femtosecond time-resolved coherent Raman experiments in which we excite and monitor vibrational coherence in gas-phase samples of benzene and 1,3,5-hexatriene. Different physical mechanisms for coherence decay are seen in these two molecules. In benzene, where the Raman polarizability is largely isotropic, the Q branch of the vibrational Raman spectrum is the primary feature excited. Molecules in different rotational states have different Q-branch transition frequencies due to vibration--rotation interaction. Thus, the macroscopic polarization that is observed in these experiments decays because it has many frequency components from molecules in different rotational states, and these frequency components go out of phase with each other. In 1,3,5-hexatriene, the Raman excitation produces molecules in a coherent superposition of rotational states, through (O, P, R, and S branch) transitions that are strong due to the large anisotropy of the Raman polarizability. The coherent superposition of rotational states corresponds to initially spatially oriented, vibrationally excited, molecules that are freely rotating. The rotation of molecules away from the initial orientation is primarily responsible for the coherence decay in this case. These experiments produce large (∼10% efficiency) Raman shifted signals with modest excitation pulse energies (10 μJ) demonstrating the feasibility of this approach for a variety of gas phase studies. copyright 1995 American Institute of Physics

Quantum algebraic description of vibrational and transitional nuclear spectra

International Nuclear Information System (INIS)

Raychev, P.P.; Roussev, R.P.; Inrne, D.

1995-01-01

A physically motivated extension of the SU q (2) model of rotational nuclear spectra is introduced, which is applicable in the vibrational and transitional regions as well. The deformation parameter is related to the centrifugal stretching effect, while the new parameter c allows the spectrum to be an expansion in terms of J(J+c) instead of J(J+1), thus describing nuclear anharmonicities in a way similar to the Interacting Boson Model and the Generalized Variable Moment of Inertia model

The 2014-2017 outburst of the young star ASASSN-13db. A time-resolved picture of a very-low-mass star between EXors and FUors

Science.gov (United States)

Sicilia-Aguilar, A.; Oprandi, A.; Froebrich, D.; Fang, M.; Prieto, J. L.; Stanek, K.; Scholz, A.; Kochanek, C. S.; Henning, Th.; Gredel, R.; Holoien, T. W.-S.; Rabus, M.; Shappee, B. J.; Billington, S. J.; Campbell-White, J.; Zegmott, T. J.

2017-11-01

Context. Accretion outbursts are key elements in star formation. ASASSN-13db is a M5-type star with a protoplanetary disk, the lowest-mass star known to experience accretion outbursts. Since its discovery in 2013, it has experienced two outbursts, the second of which started in November 2014 and lasted until February 2017. Aims: We explore the photometric and spectroscopic behavior of ASASSN-13db during the 2014-2017 outburst. Methods: We use high- and low-resolution spectroscopy and time-resolved photometry from the ASAS-SN survey, the LCOGT and the Beacon Observatory to study the light curve of ASASSN-13db and the dynamical and physical properties of the accretion flow. Results: The 2014-2017 outburst lasted for nearly 800 days. A 4.15 d period in the light curve likely corresponds to rotational modulation of a star with hot spot(s). The spectra show multiple emission lines with variable inverse P-Cygni profiles and a highly variable blue-shifted absorption below the continuum. Line ratios from metallic emission lines (Fe I/Fe II, Ti I/Ti II) suggest temperatures of 5800-6000 K in the accretion flow. Conclusions: Photometrically and spectroscopically, the 2014-2017 event displays an intermediate behavior between EXors and FUors. The accretion rate ([Ṁ]= 1-3 × 10-7 M⊙/yr), about two orders of magnitude higher than the accretion rate in quiescence, is not significantly different from the accretion rate observed in 2013. The absorption features in the spectra suggest that the system is viewed at a high angle and drives a powerful, non-axisymmetric wind, maybe related to magnetic reconnection. The properties of ASASSN-13db suggest that temperatures lower than those for solar-type stars are needed for modeling accretion in very-low-mass systems. Finally, the rotational modulation during the outburst reveals that accretion-related structures settle after the beginning of the outburst and can be relatively stable and long-lived. Our work also demonstrates the power

Mode cross coupling observations with a rotation sensor

Science.gov (United States)

Nader-Nieto, M. F.; Igel, H.; Ferreira, A. M.; Al-Attar, D.

2013-12-01

The Earth's free oscillations induced by large earthquakes have been one of the most important ways to measure the Earth's internal structure and processes. They provide important large scale constraints on a variety of elastic parameters, attenuation and density of the Earth's deep interior. The potential of rotational seismic records for long period seismology was proven useful as a complement to traditional measurements in the study of the Earth's free oscillations. Thanks to the high resolution of the G-ring laser located at Geodetic Observatory Wettzell, Germany, we are now able to study the spectral energy generated by rotations in the low frequency range. On a SNREI Earth, a vertical component rotational sensor is primarily excited by horizontally polarised shear motions (SH waves, Love waves) with theoretically no sensitivity to compressional waves and conversions (P-SV) and Rayleigh waves. Consequently, in the context of the Earth's normal modes, this instrument detects mostly toroidal modes. Here, we present observations of spectral energy of both toroidal and spheroidal normal modes in the G-ring Laser records of one of the largest magnitude events recently recorded: Tohoku-Oki, Japan, 2011. In an attempt to determine the mechanisms responsible for spheroidal energy in the vertical axes rotational spectra, we first rule out instrumental effects as well as the effect of local heterogeneity. Second, we carry out a simulation of an ideal rotational sensor taking into account the effects of the Earth's daily rotation, its hydrostatic ellipticity and structural heterogeneity, finding a good fit to the data. Simulations considering each effect separately are performed in order to evaluate the sensitivity of rotational motions to global effects with respect to traditional translation measurements.

Rotationally inelastic scattering of methyl radicals with Ar and N{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Tkáč, Ondřej; Orr-Ewing, Andrew J., E-mail: a.orr-ewing@bristol.ac.uk [School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS (United Kingdom); Ma, Qianli; Dagdigian, Paul J., E-mail: pjdagdigian@jhu.edu [Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685 (United States); Stei, Martin [Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck (Austria)

2015-01-07

The rotationally inelastic scattering of methyl radical with Ar and N{sub 2} is examined at collision energies of 330 ± 25 cm{sup −1} and 425 ± 50 cm{sup −1}, respectively. Differential cross sections (DCSs) were measured for different final n′ rotational levels (up to n′ = 5) of the methyl radicals, averaged over k′ sub-levels, using a crossed molecular beam machine with velocity map imaging. For Ar as a collision partner, we present a newly constructed ab initio potential energy surface and quantum mechanical scattering calculations of state-resolved DCSs. These computed DCSs agree well with the measurements. The DCSs for both Ar and N{sub 2} collision partners are strongly forward peaked for all spectroscopic lines measured. For scattering angles below 60°, the theoretical CD{sub 3}–Ar DCSs show diffraction oscillations that become less pronounced as n′ increases, but these oscillations are not resolved experimentally. Comparisons are drawn with our recently reported DCSs for scattering of methyl radicals with He atoms.

Fluorescent vibration-rotation excitation of cometary C2

International Nuclear Information System (INIS)

Gredel, R.; Van Dishoeck, E.F.; Black, J.H.

1989-01-01

The statistical equilibrium equations that determine the population densities of the energy levels in cometary C2 molecules due to fluorescent excitation are examined in detail. The adopted model and molecular parameters are discussed, and a theoretical estimate is made of the two intercombination transition moments. From the theoretical population densities in the various rotational levels, flux ratios and synthetic emission profiles are calculated as functions of the a 3Pi(u) - X 1Sigma(g)+ and the c 3Sigma(u)+ - X 3Sigma(g)+ intercombination transition moments. The influence of each of these two transitions separately on the vibrational and rotational excitation temperatures is investigated. The observed emission spectra of the (0,0) Swan band in Comet Halley are presented and compared to the synthetic profiles. 70 references

Fluorescent vibration-rotation excitation of cometary C2

Science.gov (United States)

Gredel, Roland; Van Dishoeck, Ewine F.; Black, John H.

1989-01-01

The statistical equilibrium equations that determine the population densities of the energy levels in cometary C2 molecules due to fluorescent excitation are examined in detail. The adopted model and molecular parameters are discussed, and a theoretical estimate is made of the two intercombination transition moments. From the theoretical population densities in the various rotational levels, flux ratios and synthetic emission profiles are calculated as functions of the a 3Pi(u) - X 1Sigma(g)+ and the c 3Sigma(u)+ - X 3Sigma(g)+ intercombination transition moments. The influence of each of these two transitions separately on the vibrational and rotational excitation temperatures is investigated. The observed emission spectra of the (0,0) Swan band in Comet Halley are presented and compared to the synthetic profiles.

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

International Nuclear Information System (INIS)

Metzkes, J.; Kraft, S. D.; Sobiella, M.; Stiller, N.; Zeil, K.; Schramm, U.; Karsch, L.; Schürer, M.; Pawelke, J.; Richter, C.

2012-01-01

In recent years, a new generation of high repetition rate (∼10 Hz), high power (∼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 ∼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.

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

Science.gov (United States)

Metzkes, J; Karsch, L; Kraft, S D; Pawelke, J; Richter, C; Schürer, M; Sobiella, M; Stiller, N; Zeil, K; Schramm, U

2012-12-01

In recent years, a new generation of high repetition rate (~10 Hz), high power (~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 ~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.

Photodissociation of gaseous CH3COSH at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Observation of three dissociation channels

International Nuclear Information System (INIS)

Hu, En-Lan; Tsai, Po-Yu; Fan, He; Lin, King-Chuen

2013-01-01

Upon one-photon excitation at 248 nm, gaseous CH 3 C(O)SH is dissociated following three pathways with the products of (1) OCS + CH 4 , (2) CH 3 SH + CO, and (3) CH 2 CO + H 2 S that are detected using time-resolved Fourier-transform infrared emission spectroscopy. The excited state 1 (n O , π * CO ) has a radiative lifetime of 249 ± 11 ns long enough to allow for Ar collisions that induce internal conversion and enhance the fragment yields. The rate constant of collision-induced internal conversion is estimated to be 1.1 × 10 −10 cm 3 molecule −1 s −1 . Among the primary dissociation products, a fraction of the CH 2 CO moiety may undergo further decomposition to CH 2 + CO, of which CH 2 is confirmed by reaction with O 2 producing CO 2 , CO, OH, and H 2 CO. Such a secondary decomposition was not observed previously in the Ar matrix-isolated experiments. The high-resolution spectra of CO are analyzed to determine the ro-vibrational energy deposition of 8.7 ± 0.7 kcal/mol, while the remaining primary products with smaller rotational constants are recognized but cannot be spectrally resolved. The CO fragment detected is mainly ascribed to the primary production. A prior distribution method is applied to predict the vibrational distribution of CO that is consistent with the experimental findings.

Spin-resolved photoelectron spectroscopy using femtosecond extreme ultraviolet light pulses from high-order harmonic generation

Energy Technology Data Exchange (ETDEWEB)

Plötzing, M.; Adam, R., E-mail: r.adam@fz-juelich.de; Weier, C.; Plucinski, L.; Schneider, C. M. [Forschungszentrum Jülich GmbH, Peter Grünberg Institut (PGI-6), 52425 Jülich (Germany); Eich, S.; Emmerich, S.; Rollinger, M.; Aeschlimann, M. [University of Kaiserslautern and Research Center OPTIMAS, 67663 Kaiserslautern (Germany); Mathias, S. [Georg-August-Universität Göttingen, I. Physikalisches Institut, 37077 Göttingen (Germany)

2016-04-15

The fundamental mechanism responsible for optically induced magnetization dynamics in ferromagnetic thin films has been under intense debate since almost two decades. Currently, numerous competing theoretical models are in strong need for a decisive experimental confirmation such as monitoring the triggered changes in the spin-dependent band structure on ultrashort time scales. Our approach explores the possibility of observing femtosecond band structure dynamics by giving access to extended parts of the Brillouin zone in a simultaneously time-, energy- and spin-resolved photoemission experiment. For this purpose, our setup uses a state-of-the-art, highly efficient spin detector and ultrashort, extreme ultraviolet light pulses created by laser-based high-order harmonic generation. In this paper, we present the setup and first spin-resolved spectra obtained with our experiment within an acquisition time short enough to allow pump-probe studies. Further, we characterize the influence of the excitation with femtosecond extreme ultraviolet pulses by comparing the results with data acquired using a continuous wave light source with similar photon energy. In addition, changes in the spectra induced by vacuum space-charge effects due to both the extreme ultraviolet probe- and near-infrared pump-pulses are studied by analyzing the resulting spectral distortions. The combination of energy resolution and electron count rate achieved in our setup confirms its suitability for spin-resolved studies of the band structure on ultrashort time scales.

Asteroseismology of Red-Giant Stars: Mixed Modes, Differential Rotation, and Eccentric Binaries

Science.gov (United States)

Beck, Paul G.

2013-12-01

Astronomers are aware of rotation in stars since Galileo Galilei attributed the movement of sunspots to rotation of the Sun in 1613. In contrast to the Sun, whose surface can be resolved by small telescopes or even the (protected) eye, we detect stars as point sources with no spatial information. Numerous techniques have been developed to derive information about stellar rotation. Unfortunately, most observational data allow only for the surface rotational rate to be inferred. The internal rotational profile, which has a great effect on the stellar structure and evolution, remains hidden below the top layers of the star - the essential is hidden to the eyes. Asteroseismology allows us to "sense" indirectly deep below the stellar surface. Oscillations that propagate through the star provide information about the deep stellar interiors while they also distort the stellar surface in characteristic patterns leading to detectable brightness or velocity variations. Also, certain oscillation modes are sensitive to internal rotation and carry information on how the star is spinning deep inside. Thanks to the unprecedented quality of NASA's space telescope Kepler, numerous detailed observations of stars in various evolutionary stages are available. Such high quality data allow that for many stars, rotation can not only be constrained from surface rotation, but also investigated through seismic studies. The work presented in this thesis focuses on the oscillations and internal rotational gradient of evolved single and binary stars. It is shown that the seismic analysis can reach the cores of oscillating red-giant stars and that these cores are rapidly rotating, while nested in a slowly rotating convective envelope.

Recent advances at NASA in calculating the electronic spectra of diatomic molecules

Science.gov (United States)

Whiting, Ellis E.; Paterson, John A.

1988-01-01

Advanced entry vehicles, such as the proposed Aero-assisted Orbital Transfer Vehicle, provide new and challenging problems for spectroscopy. Large portions of the flow field about such vehicles will be characterized by chemical and thermal nonequilibrium. Only by considering the actual overlap of the atomic and rotational lines emitted by the species present can the impact of radiative transport within the flow field be assessed correctly. To help make such an assessment, a new computer program is described that can generate high-resolution, line-by-line spectra for any spin-allowed transitions in diatomic molecules. The program includes the matrix elements for the rotational energy and distortion to the fourth order; the spin-orbit, spin-spin, and spin-rotation interactions to first order; and the lambda splitting by a perturbation calculation. An overview of the Computational Chemistry Branch at Ames Research Center is also presented.

Radar micro-Doppler of wind turbines : Simulation and analysis using rotating linear wire structures

NARCIS (Netherlands)

Krasnov, O.A.; Yarovoy, A.

2015-01-01

A simple electromagnetic model of wind-turbine's main structural elements as the linear wired structures is developed to simulate the temporal patterns of observed radar return Doppler spectra (micro-Doppler). Using the model, the micro-Doppler for different combinations of the turbines rotation

MCNP simulations of a new time-resolved Compton scattering imaging technique

International Nuclear Information System (INIS)

Ilan, Y.

2004-01-01

Medical images of human tissue can be produced using Computed Tomography (CT), Positron Emission Tomography (PET), Ultrasound or Magnetic Resonance Imaging (MRI). In all of the above techniques, in order to get a three-dimensional (3D) image, one has to rotate or move the source, the detectors or the scanned target. This procedure is complicated, time consuming and increases the cost and weight of the scanning equipment. Time resolved optical tomography has been suggested as an alternative to the above conventional methods. This technique implies near infrared light (NIR) and fast time-resolved detectors to obtain a 3D image of the scanned target. However, due to the limited penetration of the NIR light in the tissue, the application of this technique is limited to soft tissue like a female breast or a premature infant brain

ROTATING BULLETS FROM A VARIABLE PROTOSTAR

Energy Technology Data Exchange (ETDEWEB)

Chen, Xuepeng [Purple Mountain Observatory, Chinese Academy of Sciences, 2 West Beijing Road, Nanjing 210008 (China); Arce, Héctor G. [Department of Astronomy, Yale University, Box 208101, New Haven, CT 06520-8101 (United States); Zhang, Qizhou [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Launhardt, Ralf; Henning, Thomas, E-mail: xpchen@pmo.ac.cn [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

2016-06-20

We present Submillimeter Array (SMA) CO (2–1) observations toward the protostellar jet driven by SVS 13 A, a variable protostar in the NGC 1333 star-forming region. The SMA CO (2–1) images show an extremely high-velocity jet composed of a series of molecular “bullets.” Based on the SMA CO observations, we discover clear and large systematic velocity gradients, perpendicular to the jet axis, in the blueshifted and redshifted bullets. After discussing several alternative interpretations, such as twin-jets, jet precession, warped disk, and internal helical shock, we suggest that the systematic velocity gradients observed in the bullets result from the rotation of the SVS 13 A jet. From the SMA CO images, the measured rotation velocities are 11.7–13.7 km s{sup −1} for the blueshifted bullet and 4.7 ± 0.5 km s{sup −1} for the redshifted bullet. The estimated specific angular momenta of the two bullets are comparable to those of dense cores, about 10 times larger than those of protostellar envelopes, and about 20 times larger than those of circumstellar disks. If the velocity gradients are due to the rotation of the SVS 13 A jet, the significant amount of specific angular momenta of the bullets indicates that the rotation of jets/outflows is a key mechanism to resolve the so-called “angular momentum problem” in the field of star formation. The kinematics of the bullets suggests that the jet launching footprint on the disk has a radius of ∼7.2–7.7 au, which appears to support the extended disk-wind model. We note that further observations are needed to comprehensively understand the kinematics of the SVS 13 A jet, in order to confirm the rotation nature of the bullets.

Quantitative analysis of directional spontaneous emission spectra from light sources in photonic crystals

International Nuclear Information System (INIS)

Nikolaev, Ivan S.; Lodahl, Peter; Vos, Willem L.

2005-01-01

We have performed angle-resolved measurements of spontaneous-emission spectra from laser dyes and quantum dots in opal and inverse opal photonic crystals. Pronounced directional dependencies of the emission spectra are observed: angular ranges of strongly reduced emission adjoin with angular ranges of enhanced emission. It appears that emission from embedded light sources is affected both by the periodicity and by the structural imperfections of the crystals: the photons are Bragg diffracted by lattice planes and scattered by unavoidable structural disorder. Using a model comprising diffuse light transport and photonic band structure, we quantitatively explain the directional emission spectra. This work provides detailed understanding of the transport of spontaneously emitted light in real photonic crystals, which is essential in the interpretation of quantum optics in photonic-band-gap crystals and for applications wherein directional emission and total emission power are controlled

Distinguishing Vaccinium species by chemical fingerprinting based on NMR spectra, validated with spectra collected in different laboratories.

Science.gov (United States)

Markus, Michelle A; Ferrier, Jonathan; Luchsinger, Sarah M; Yuk, Jimmy; Cuerrier, Alain; Balick, Michael J; Hicks, Joshua M; Killday, K Brian; Kirby, Christopher W; Berrue, Fabrice; Kerr, Russell G; Knagge, Kevin; Gödecke, Tanja; Ramirez, Benjamin E; Lankin, David C; Pauli, Guido F; Burton, Ian; Karakach, Tobias K; Arnason, John T; Colson, Kimberly L

2014-06-01

A method was developed to distinguish Vaccinium species based on leaf extracts using nuclear magnetic resonance spectroscopy. Reference spectra were measured on leaf extracts from several species, including lowbush blueberry (Vaccinium angustifolium), oval leaf huckleberry (Vaccinium ovalifolium), and cranberry (Vaccinium macrocarpon). Using principal component analysis, these leaf extracts were resolved in the scores plot. Analysis of variance statistical tests demonstrated that the three groups differ significantly on PC2, establishing that the three species can be distinguished by nuclear magnetic resonance. Soft independent modeling of class analogies models for each species also showed discrimination between species. To demonstrate the robustness of nuclear magnetic resonance spectroscopy for botanical identification, spectra of a sample of lowbush blueberry leaf extract were measured at five different sites, with different field strengths (600 versus 700 MHz), different probe types (cryogenic versus room temperature probes), different sample diameters (1.7 mm versus 5 mm), and different consoles (Avance I versus Avance III). Each laboratory independently demonstrated the linearity of their NMR measurements by acquiring a standard curve for chlorogenic acid (R(2) = 0.9782 to 0.9998). Spectra acquired on different spectrometers at different sites classifed into the expected group for the Vaccinium spp., confirming the utility of the method to distinguish Vaccinium species and demonstrating nuclear magnetic resonance fingerprinting for material validation of a natural health product. Georg Thieme Verlag KG Stuttgart · New York.

The Dependence of Tropical Cyclone Count and Size on Rotation Rate

Science.gov (United States)

Chavas, D. R.; Reed, K. A.

2017-12-01

Both theory and idealized equilibrium modeling studies indicate that tropical cyclone size decreases with background rotation rate. In contrast, in real-world observations size tends to increase with latitude. Here we seek to resolve this apparent contradiction via a set of reduced-complexity global aquaplanet simulations with varying planetary rotation rates using the NCAR Community Atmosphere Model 5. The latitudinal distribution of both storm count and size are found to vary markedly with rotation rate, yielding insight into the dynamical constraints on tropical cyclone activity on a rotating planet. Moreover, storm size is found to vary non-monotonically with latitude, indicating that non-equilibrium effects are crucial to the life-cycle evolution of size in nature. Results are then compared to experiments in idealized, time-dependent limited-area modeling simulations using CM1 in axisymmetric and three-dimensional geometry. Taken together, this hierarchy of models is used to quantify the role of equilibrium versus transient controls on storm size and the relevance of each to real storms in nature.

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.

Can a one-layer optical skin model including melanin and inhomogeneously distributed blood explain spatially resolved diffuse reflectance spectra?

Science.gov (United States)

Karlsson, Hanna; Pettersson, Anders; Larsson, Marcus; Strömberg, Tomas

2011-02-01

Model based analysis of calibrated diffuse reflectance spectroscopy can be used for determining oxygenation and concentration of skin chromophores. This study aimed at assessing the effect of including melanin in addition to hemoglobin (Hb) as chromophores and compensating for inhomogeneously distributed blood (vessel packaging), in a single-layer skin model. Spectra from four humans were collected during different provocations using a twochannel fiber optic probe with source-detector separations 0.4 and 1.2 mm. Absolute calibrated spectra using data from either a single distance or both distances were analyzed using inverse Monte Carlo for light transport and Levenberg-Marquardt for non-linear fitting. The model fitting was excellent using a single distance. However, the estimated model failed to explain spectra from the other distance. The two-distance model did not fit the data well at either distance. Model fitting was significantly improved including melanin and vessel packaging. The most prominent effect when fitting data from the larger separation compared to the smaller separation was a different light scattering decay with wavelength, while the tissue fraction of Hb and saturation were similar. For modeling spectra at both distances, we propose using either a multi-layer skin model or a more advanced model for the scattering phase function.

Fourier transform infrared emission spectra of MnH and MnD

Science.gov (United States)

Gordon, Iouli E.; Appadoo, Dominique R. T.; Shayesteh, Alireza; Walker, Kaley A.; Bernath, Peter F.

2005-01-01

Fourier transform infrared emission spectra of MnH and MnD were observed in the ground X7Σ + electronic state. The vibration-rotation bands from v = 1 → 0 to v = 3 → 2 for MnH and from v = 1 → 0 to v = 4 → 3 for MnD were recorded at an instrumental resolution of 0.0085 cm -1. Spectroscopic constants were determined for each vibrational level and equilibrium constants were found from a Dunham-type fit. The equilibrium vibrational constant ( ωe) for MnH was found to be 1546.84518(65) cm -1, the equilibrium rotational constant ( Be) is 5.6856789(103) cm -1 and the eqilibrium bond distance ( re) was determined to be 1.7308601(47) Å.

Decomposing the permeability spectra of nanocrystalline finemet core

Science.gov (United States)

Varga, Lajos K.; Kovac, Jozef

2018-04-01

In this paper we present a theoretical and experimental investigation on the magnetization contributions to permeability spectra of normal annealed Finemet core with round type hysteresis curve. Real and imaginary parts of the permeability were determined as a function of exciting magnetic field (HAC) between 40 Hz -110 MHz using an Agilent 4294A type Precision Impedance Analyzer. The amplitude of the exciting field was below and around the coercive field of the sample. The spectra were decomposed using the Levenberg-Marquardt algorithm running under Origin 9 software in four contributions: i) eddy current; ii) Debye relaxation of magnetization rotation, iii) Debye relaxation of damped domain wall motion and iv) resonant type DW motion. For small exciting amplitudes the first two components dominate. The last two contributions connected to the DW appear for relative large HAC only, around the coercive force. All the contributions will be discussed in detail accentuating the role of eddy current that is not negligible even for the smallest applied exciting field.

Time-resolved luminescence of Eu2+-aggregate centers in CsBr crystals

International Nuclear Information System (INIS)

Zorenko, Yu.V.; Turchak, R.M.; Voznjak, T.I.; Stryganjuk, G.B.

2005-01-01

The luminescence of Eu 2+ -V Cs dipole centers and CsEuBr 3 aggregate centers, as well as the features of the energy transfer to these centers by excitons have been studied in CsBr:Eu crystals by means of investigation of the time-resolved emission spectra and luminescence decay kinetics under excitation by synchrotron radiation at RT. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

International Nuclear Information System (INIS)

Klingbeil, Adam E.; Jeffries, Jay B.; Hanson, Ronald K.

2007-01-01

Quantitative mid-IR absorption spectra (2500-3400 cm -1 ) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 deg. C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm -1 (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm -1 resolution. High-resolution (0.1 cm -1 ), room-temperature measurements of neat hydrocarbons were made at low pressure (∼1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N 2 mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 o C for atmospheric-pressure measurements of hydrocarbon/N 2 mixtures (X hydrocarbon ∼0.06-1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement

Effects of Long Period Ocean Tides on the Earth's Rotation

Science.gov (United States)

Gross, Richard S.; Chao, Ben F.; Desai, Shailen D.

1996-01-01

The spectra of polar motion excitation functions exhibit enhanced power in the fortnightly tidal band. This enhanced power is attributed to ocean tidal excitation. Ocean tide models predict polar motion excitation effects that differ with each other, and with observations, by factors as large as 2-3. There is a need for inproved models for the effect of long-period ocean tides on Earth's rotation.

The broadband microwave spectra of the monoterpenoids thymol and carvacrol: Conformational landscape and internal dynamics

Energy Technology Data Exchange (ETDEWEB)

Schmitz, D.; Shubert, V. A. [Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany); The Center for Free-Electron Laser Science, Hamburg (Germany); Giuliano, B. M. [Center for Astrobiology, INTA-CSIC, Torrejón de Ardoz, Madrid (Spain); Schnell, M., E-mail: melanie.schnell@mpsd.mpg.de [Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany); The Center for Free-Electron Laser Science, Hamburg (Germany); The Hamburg Centre for Ultrafast Imaging, Universität Hamburg, Hamburg (Germany)

2014-07-21

The rotational spectra of the monoterpenoids thymol and carvacrol are reported in the frequency range 2–8.5 GHz, obtained with broadband Fourier-transform microwave spectroscopy. For carvacrol four different conformations were identified in the cold conditions of the molecular jet, whereas only three conformations were observed for thymol. The rotational constants and other molecular parameters are reported and compared with quantum chemical calculations. For both molecules, line splittings due to methyl group internal rotation were observed and the resulting barrier heights could be determined. The experimental barrier heights, 4.0863(25) kJ/mol for trans-carvacrol-A, 4.4024(16) kJ/mol for trans-carvacrol-B, and 0.3699(11) kJ/mol for trans-thymol-A, are compared with similar molecules.

The broadband microwave spectra of the monoterpenoids thymol and carvacrol: Conformational landscape and internal dynamics

International Nuclear Information System (INIS)

Schmitz, D.; Shubert, V. A.; Giuliano, B. M.; Schnell, M.

2014-01-01

The rotational spectra of the monoterpenoids thymol and carvacrol are reported in the frequency range 2–8.5 GHz, obtained with broadband Fourier-transform microwave spectroscopy. For carvacrol four different conformations were identified in the cold conditions of the molecular jet, whereas only three conformations were observed for thymol. The rotational constants and other molecular parameters are reported and compared with quantum chemical calculations. For both molecules, line splittings due to methyl group internal rotation were observed and the resulting barrier heights could be determined. The experimental barrier heights, 4.0863(25) kJ/mol for trans-carvacrol-A, 4.4024(16) kJ/mol for trans-carvacrol-B, and 0.3699(11) kJ/mol for trans-thymol-A, are compared with similar molecules

An analysis of vibration-rotation lines of OH in the solar infrared spectrum

NARCIS (Netherlands)

Grevesse, N.; Sauval, A.J.; Dishoeck, van E.F.

1984-01-01

High resolution solar spectra have permitted the measurement with great accuracy of equivalent widths of vibration-rotation lines of OH in the X2Pi state near 3-micron wavelength. Using recent theoretical results for the transition probabilities, a solar oxygen abundance of (8.93 + or - 0.02) is

Statistical mechanics and correlation properties of a rotating two-dimensional flow of like-sign vortices

International Nuclear Information System (INIS)

Viecelli, J.A.

1993-01-01

The Hamiltonian flow of a set of point vortices of like sign and strength has a low-temperature phase consisting of a rotating triangular lattice of vortices, and a normal temperature turbulent phase consisting of random clusters of vorticity that orbit about a common center along random tracks. The mean-field flow in the normal temperature phase has similarities with turbulent quasi-two-dimensional rotating laboratory and geophysical flows, whereas the low-temperature phase displays effects associated with quantum fluids. In the normal temperature phase the vortices follow power-law clustering distributions, while in the time domain random interval modulation of the vortex orbit radii fluctuations produces singular fractional exponent power-law low-frequency spectra corresponding to time autocorrelation functions with fractional exponent power-law tails. Enhanced diffusion is present in the turbulent state, whereas in the solid-body rotation state vortices thermally diffuse across the lattice. Over the entire temperature range the interaction energy of a single vortex in the field of the rest of the vortices follows positive temperature Fermi--Dirac statistics, with the zero temperature limit corresponding to the rotating crystal phase, and the infinite temperature limit corresponding to a Maxwellian distribution. Analyses of weather records dependent on the large-scale quasi-two-dimensional atmospheric circulation suggest the presence of singular fractional exponent power-law spectra and fractional exponent power-law autocorrelation tails, consistent with the theory

Simultaneously time- and space-resolved spectroscopic characterization of laser-produced plasmas

International Nuclear Information System (INIS)

Charatis, G.; Young, B.K.F.; Busch, G.E.

1988-01-01

The CHROMA laser facility at KMS Fusion has been used to irradiate a variety of microdot targets. These include aluminum dots and mixed bromine dots doped with K-shell (magnesium) emitters. Simultaneously time- and space-resolved K-shell and L-shell spectra have been measured and compared to dynamic model predictions. The electron density profiles are measured using holographic interferometry. Temperatures, densities, and ionization distributions are determined using K-shell and L-shell spectral techniques. Time and spatial gradients are resolved simultaneously using three diagnostics: a framing crystal x-ray spectrometer, an x-ray streaked crystal spectrometer with a spatial imaging slit, and a 4-frame holographic interferometer. Significant differences have been found between the interferometric and the model-dependent spectral measurements of plasma density. Predictions by new non-stationary L-shell models currently being developed are also presented. 14 refs., 10 figs

Mechanical properties of plant cell walls probed by relaxation spectra

DEFF Research Database (Denmark)

Hansen, Steen Laugesen; Ray, Peter Martin; Karlsson, Anders Ola

2011-01-01

Relax, that deduces relaxation spectra from appropriate rheological measurements is presented and made accessible through a Web interface. BayesRelax models the cell wall as a continuum of relaxing elements, and the ability of the method to resolve small differences in cell wall mechanical properties is demonstrated......Transformants and mutants with altered cell wall composition are expected to display a biomechanical phenotype due to the structural role of the cell wall. It is often quite difficult, however, to distinguish the mechanical behavior of a mutant's or transformant's cell walls from that of the wild...... type. This may be due to the plant’s ability to compensate for the wall modification or because the biophysical method that is often employed, determination of simple elastic modulus and breakstrength, lacks the resolving power necessary for detecting subtle mechanical phenotypes. Here, we apply...

Rotational and vibrational spectra of ethynol from quantum-mechanical calculations

Science.gov (United States)

Defrees, D. J.; Mclean, A. D.

1982-01-01

It is noted that ethynol (HCCOH), despite the theoretical prediction of its stability to tautomerization to ketene, has thus far not been observed. It is shown here that the identification of this unknown molecule, both in space and in the laboratory, can be aided by an ab initio calculation of spectroscopic parameters. At the HF/3-21G level, harmonic vibrational frequencies are computed by way of analytic second differentiation of the Hartee-Fock (HF) energy with respect to the nuclear coordinates. After applying an empirical scale factor, the resultant frequencies are (per cm) 473, 517, 773, 841, 1003, 1217, 2206, 3285, and 3418. The computed dipole moment at the CISD/DZ+P level is 1.79 D. At the CISD+Q/DZ+P level, the molecule's rotational constants are determined. After scaling by empirical correction factors, they are used in deriving the 4(04) - 3(03) frequency of 76.81 + or - 0.3 GHz with a triplet splitting of 0.30 + or - 0.01 GHz. The triplet splitting involves 4(14) - 3(13) and 4(13) - 3(12) relative to the 4(04) - 3(03) transition as the central line.

M DWARF FLARES FROM TIME-RESOLVED SLOAN DIGITAL SKY SURVEY SPECTRA

International Nuclear Information System (INIS)

Hilton, Eric J.; Hawley, Suzanne L.; Kowalski, Adam F.; West, Andrew A.

2010-01-01

We have identified 63 flares on M dwarfs from the individual component spectra in the Sloan Digital Sky Survey (SDSS) using a novel measurement of emission-line strength called the Flare Line Index. Each of the ∼38,000 M dwarfs in the SDSS low-mass star spectroscopic sample of West et al. was observed several times (usually 3-5) in exposures that were typically 9-25 minutes in duration. Our criteria allowed us to identify flares that exhibit very strong Hα and Hβ emission-line strength and/or significant variability in those lines throughout the course of the exposures. The flares we identified have characteristics consistent with flares observed by classical spectroscopic monitoring. The flare duty cycle for the objects in our sample is found to increase from 0.02% for early M dwarfs to 3% for late M dwarfs. We find that the flare duty cycle is larger in the population near the Galactic plane and that the flare stars are more spatially restricted than the magnetically active but non-flaring stars. This suggests that flare frequency may be related to stellar age (younger stars are more likely to flare) and that the flare stars are younger than the mean active population.

Rotational Isomers, Intramolecular Hydrogen Bond, and IR Spectra of o-Vinylphenol Homologs

Science.gov (United States)

Glazunov, V. P.; Berdyshev, D. V.; Balaneva, N. N.; Radchenko, O. S.; Novikov, V. L.

2018-03-01

The ν(OH) stretching-mode bands in solution IR spectra of five o-vinylphenol (o-VPh) homologs in the slightly polar solvents CCl4 and n-hexane were studied. Several rotamers with free OH groups were found in solutions of o-VPh and its methyl-substituted derivatives in n-hexane. The proportion of rotamers in o-VPh homologs with intramolecular hydrogen bonds (IHBs) O-H...π varied from 22 to 97% in the gas and cyclohexane according to B3LYP/cc-pVTZ calculations. The theoretically estimated effective enthalpies -ΔH of their IHBs varied in the range 0.20-2.24 kcal/mol.

Pure rotational spectra of TiO and TiO2 in VY Canis Majoris

Science.gov (United States)

Kamiński, T.; Gottlieb, C. A.; Menten, K. M.; Patel, N. A.; Young, K. H.; Brünken, S.; Müller, H. S. P.; McCarthy, M. C.; Winters, J. M.; Decin, L.

2013-03-01

We report the first detection of pure rotational transitions of TiO and TiO2 at (sub-)millimeter wavelengths towards the red supergiant VY CMa. A rotational temperature, Trot, of about 250 K was derived for TiO2. Although Trot was not well constrained for TiO, it is likely somewhat higher than that of TiO2. The detection of the Ti oxides confirms that they are formed in the circumstellar envelopes of cool oxygen-rich stars and may be the "seeds" of inorganic-dust formation, but alternative explanations for our observation of TiO and TiO2 in the cooler regions of the envelope cannot be ruled out at this time. The observations suggest that a significant fraction of the oxides is not converted to dust, but instead remains in the gas phase throughout the outflow. Based on observations carried out with the Submillimeter Array and IRAM Plateau de Bure Interferometer.Plateau de Bure data (FITS file) is only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/551/A113

Setup for angle-resolved electron spectrometry using monochromatised synchrotron radiation

International Nuclear Information System (INIS)

Derenbach, H.; Franke, C.; Malutzki, R.; Wachter, A.; Schmidt, V.

1987-01-01

An apparatus is described which is well suited for angle-resolved electron spectrometry of free atoms and molecules using monochromatised synchrotron radiation. Two variations are presented, one for room temperature gaseous species, the other for metallic vapours. The analyser is of the cylindrical mirror type, designed, however, so as to accept with one sector the entire source volume independently of the photon beam diameter. It can be equipped with a positon-sensitive detector instead of a channeltron, which extends its potentiality. The system consists of up to three cylindrical mirror sector analysers (CMAs) where a double-sector CMA can be rotated around the photon beam direction, allowing angular distribution measurements, and another sector CMA is mounted in a fixed position providing a signal for reference purposes. A detailed description and experimental tests are given for the performance of the CMA, i.e. its imaging properties, resolution and transmissions, as well as for possible instrumental asymmetries affecting angle-resolved experiments. (orig.)

Microwave measurements of the spectra and molecular structure for phthalic anhydride

Science.gov (United States)

Pejlovas, Aaron M.; Sun, Ming; Kukolich, Stephen G.

2014-05-01

The microwave rotational spectrum for phthalic anhydride (PhA) has been measured in the 4-14 GHz microwave region using a pulsed-beam Fourier transform (PBFT) Flygare-Balle type microwave spectrometer. Initially, the molecular structure was calculated using Gaussian 09 suite with mp2/6-311++G** basis and the calculations were used in predicting spectra for the measured isotopologues. The experimental rotational transition frequencies were measured and used to calculate the rotational and centrifugal distortion constants. The rotational constants for the normal isotopologue, four unique 13C substituted isotopologues and two 18O isotologues, were used in a least squares fit to determine nearly all structural parameters for this molecule. Since no substitutions were made at hydrogen sites, the calculated positions of the hydrogen atoms relative to the bonded carbon atoms were used in the structure determination. The rotational constants for the parent isotopologue were determined to be A = 1801.7622(9) MHz, B = 1191.71816(26) MHz, C = 717.44614(28) MHz. Small values for the centrifugal distortion constants were obtained; DJ = 0.0127 kHz, DJK = 0.0652 kHz, and DK = -0.099 kHz, indicating a fairly rigid structure. The structure of PhA is planar with a negative inertial defect of Δ = -0.154 amu Å2. Structural parameters from the mp2 and DFT calculations are in quite good agreement with measured parameters.

Bulk plasma rotation in the presence of waves in the ion cyclotron range of frequencies

International Nuclear Information System (INIS)

Eriksson, L.G.; Noterdaeme, J.M.; Kirov, K.

2003-01-01

Experiments with directed ICRF waves have for the first time in JET demonstrated the influence of absorbed wave momentum on bulk plasma rotation. Resonating fast ions acted as an intermediary in this process, and the experiments therefore provided evidence for the effect of fast ions on the plasma rotation. Results from these experiments are reviewed together with results from ICRF heated plasmas with symmetric spectra in JET and Tore Supra. The relevance of different theoretical models is briefly considered. (author)

Angle-resolved photoemission study and first-principles calculation of the electronic structure of LaSb2

International Nuclear Information System (INIS)

Acatrinei, Alice I; Browne, D; Losovyj, Y B; Young, D P; Moldovan, M; Chan, Julia Y; Sprunger, P T; Kurtz, Richard L

2003-01-01

In this work we present valence band studies of LaSb 2 using angle-resolved photoelectron spectroscopy with synchrotron radiation and compare these data with band structure calculations. Valence band spectra reveal that Sb 5p states are dominant near the Fermi level and are hybridized with the La 5d states just below. The calculations show a fair agreement with the experimentally determined valence band spectra, allowing an identification of the observed features. We measured some dispersion for kbar, especially for Sb 5p states; no significant dispersion was found for k || . (letter to the editor)

Rotational instability in a linear theta pinch

International Nuclear Information System (INIS)

Ekdahl, C.; Bartsch, R.R.; Commisso, R.J.; Gribble, R.F.; McKenna, K.F.; Miller, G.; Siemon, R.E.

1980-01-01

The m=1 ''wobble'' instability of the plasma column in a 5-m linear theta pinch has been studied using an axial array of orthogonally viewing position detectors to resolve the wavelength and frequency of the column motion. The experimental results are compared with recent theoretical predictions that include finite Larmor orbit effects. The frequency and wavelength characteristics at saturation agree with the predicted dispersion relation for a plasma rotating faster than the diamagnetic drift speed. Measurements of the magnetic fields at the ends of the pinch establish the existence of currents flowing in such a way that they short out the radial electric fields in the plasma column. The magnitude of rotation, the observed delay in the onset of m=1 motion, and the magnitude of end-shorting currents can all be understood in terms of the torsional Alfven waves that communicate to the central plasma column the information that the ends have been shorted. The same waves are responsible for the torque which rotates the plasma and leads to the observed m=1 instability. Observations of the plasma in the presence of solid end plugs indicate a stabilization of high-m number modes and a reduction of the m=1 amplitude

Frequency-resolved measurement of the orbital angular momentum spectrum of femtosecond ultra-broadband optical-vortex pulses based on field reconstruction

International Nuclear Information System (INIS)

Yamane, Keisaku; Yang, Zhili; Toda, Yasunori; Morita, Ryuji

2014-01-01

We propose a high-precision method for measuring the orbital angular momentum (OAM) spectrum of ultra-broadband optical-vortex (OV) pulses from fork-like interferograms between OV pulses and a reference plane-wave pulse. It is based on spatial reconstruction of the electric fields of the pulses to be measured from the frequency-resolved interference pattern. Our method is demonstrated experimentally by obtaining the OAM spectra for different spectral components of the OV pulses, enabling us to characterize the frequency dispersion of the topological charge of the OAM spectrum by a simple experimental setup. Retrieval is carried out in quasi-real time, allowing us to investigate OAM spectra dynamically. Furthermore, we determine the relative phases (including the sign) of the topological-charge-resolved electric-field amplitudes, which are significant for evaluating OVs or OV pulses with arbitrarily superposed modes. (paper)

Galvanic vestibular stimulation combines with Earth-horizontal rotation in roll to induce the illusion of translation.

Science.gov (United States)

Schneider, Erich; Bartl, Klaus; Glasauer, Stefan

2009-05-01

Human head rotation in roll around an earth-horizontal axis constitutes a vestibular stimulus that, by its rotational component, acts on the semicircular canals (SCC) and that, by its tilt of the gravity vector, also acts on the otoliths. Galvanic vestibular stimulation (GVS) is thought to resemble mainly a rotation in roll. A superposition of sinusoidal GVS with a natural earth-horizontal roll movement was therefore applied in order to cancel the rotation effects and to isolate the otolith activation. By self-adjusting the amplitude and phase of GVS, subjects were able to minimize their sensation of rotation and to generate the perception of a linear translation. The final adjustments are in the range of a model that predicts SCC activation during natural rotations and GVS. This indicates that the tilt-translation ambiguity of the otoliths is resolved by SCC-otolith interaction. It is concluded that GVS might be able to cancel rotations in roll and that the residual tilt of the gravitoinertial force is possibly interpreted as a linear translation.

Measurement of gamma-ray multiplicity spectra and the alpha value for {sup 235}U resonances

Energy Technology Data Exchange (ETDEWEB)

Grigor` ev, Yu V [Institute of Physics and Power Engineering, Obninsk (Russian Federation); Georgiev, G P; Stanchik, Kh [Joint Inst. for Nuclear Research, Dubna (Russian Federation)

1997-06-01

Gamma spectra from 1 to 12 multiplicity were measured on th 500 m flight path of the IBR-30 reactor using a 16-section 32 L NaI(Tl) crystal scintillation detector able to hold 2 metallic samples of 90% {sup 235}U and 10% {sup 238}U 0.00137 atoms/b and 0.00411 atoms/b thick. Multiplicity spectra were obtained for resolved resonances in the E = 1-150 eV energy region. They were used to determine the value of {alpha} = {sigma}{sub {gamma}}/{sigma}{sub f} for 165 resonances of {sup 235}U. (author). 6 refs, 7 figs, 1 tab.

AC electric field induced dipole-based on-chip 3D cell rotation.

Science.gov (United States)

Benhal, Prateek; Chase, J Geoffrey; Gaynor, Paul; Oback, Björn; Wang, Wenhui

2014-08-07

The precise rotation of suspended cells is one of the many fundamental manipulations used in a wide range of biotechnological applications such as cell injection and enucleation in nuclear transfer (NT) cloning. Noticeably scarce among the existing rotation techniques is the three-dimensional (3D) rotation of cells on a single chip. Here we present an alternating current (ac) induced electric field-based biochip platform, which has an open-top sub-mm square chamber enclosed by four sidewall electrodes and two bottom electrodes, to achieve rotation about the two axes, thus 3D cell rotation. By applying an ac potential to the four sidewall electrodes, an in-plane (yaw) rotating electric field is generated and in-plane rotation is achieved. Similarly, by applying an ac potential to two opposite sidewall electrodes and the two bottom electrodes, an out-of-plane (pitch) rotating electric field is generated and rolling rotation is achieved. As a prompt proof-of-concept, bottom electrodes were constructed with transparent indium tin oxide (ITO) using the standard lift-off process and the sidewall electrodes were constructed using a low-cost micro-milling process and then assembled to form the chip. Through experiments, we demonstrate rotation of bovine oocytes of ~120 μm diameter about two axes, with the capability of controlling the rotation direction and the rate for each axis through control of the ac potential amplitude, frequency, and phase shift, and cell medium conductivity. The maximum observed rotation rate reached nearly 140° s⁻¹, while a consistent rotation rate reached up to 40° s⁻¹. Rotation rate spectra for zona pellucida-intact and zona pellucida-free oocytes were further compared and found to have no effective difference. This simple, transparent, cheap-to-manufacture, and open-top platform allows additional functional modules to be integrated to become a more powerful cell manipulation system.

FITspec: A New Algorithm for the Automated Fit of Synthetic Stellar Spectra for OB Stars

Science.gov (United States)

Fierro-Santillán, Celia R.; Zsargó, Janos; Klapp, Jaime; Díaz-Azuara, Santiago A.; Arrieta, Anabel; Arias, Lorena; Sigalotti, Leonardo Di G.

2018-06-01

In this paper we describe the FITspec code, a data mining tool for the automatic fitting of synthetic stellar spectra. The program uses a database of 27,000 CMFGEN models of stellar atmospheres arranged in a six-dimensional (6D) space, where each dimension corresponds to one model parameter. From these models a library of 2,835,000 synthetic spectra were generated covering the ultraviolet, optical, and infrared regions of the electromagnetic spectrum. Using FITspec we adjust the effective temperature and the surface gravity. From the 6D array we also get the luminosity, the metallicity, and three parameters for the stellar wind: the terminal velocity ({v}∞ ), the β exponent of the velocity law, and the clumping filling factor (F cl). Finally, the projected rotational velocity (v\\cdot \\sin i) can be obtained from the library of stellar spectra. Validation of the algorithm was performed by analyzing the spectra of a sample of eight O-type stars taken from the IACOB spectroscopic survey of Northern Galactic OB stars. The spectral lines used for the adjustment of the analyzed stars are reproduced with good accuracy. In particular, the effective temperatures calculated with the FITspec are in good agreement with those derived from spectral type and other calibrations for the same stars. The stellar luminosities and projected rotational velocities are also in good agreement with previous quantitative spectroscopic analyses in the literature. An important advantage of FITspec over traditional codes is that the time required for spectral analyses is reduced from months to a few hours.

The γ Dor stars as revealed by Kepler: A key to reveal deep-layer rotation in A and F stars

Directory of Open Access Journals (Sweden)

Salmon S. J. A. J.

2017-01-01

Full Text Available The γ Dor pulsating stars present high-order gravity modes, which make them important targets in the intermediate-and low-mass main-sequence region of the Hertzsprung-Russell diagram. Whilst we have only access to rotation in the envelope of the Sun, the g modes of γ Dor stars can in principle deliver us constraints on the inner layers. With the puzzling discovery of unexpectedly low rotation rates in the core of red giants, the γ Dor stars appear now as unique targets to explore internal angular momentum transport in the progenitors of red giants. Yet, the γ Dor pulsations remain hard to detect from the ground for their periods are close to 1 day. While the CoRoT space mission first revealed intriguing frequency spectra, the almost uninterrupted 4-year photometry from the Kepler mission eventually shed a new light on them. It revealed regularities in the spectra, expected to bear signature of physical processes, including rotation, in the shear layers close to the convective core. We present here the first results of our effort to derive exploitable seismic diagnosis for mid- to fast rotators among γ Dor stars. We confirm their potential to explore the rotation history of this early phase of stellar evolution.

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.

Atomic physics modeling of transmission spectra of Sc-doped aerogel foams to support OMEGA experiments

Energy Technology Data Exchange (ETDEWEB)

Johns, H. M., E-mail: hjohns@lanl.gov; Lanier, N. E.; Kline, J. L.; Fontes, C. J.; Perry, T. S.; Fryer, C. L.; Sherrill, M. E. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Brown, C. R. D.; Morton, J. W. [AWE Aldermaston, Berkshire, Reading RG7 4PR (United Kingdom); Hager, J. D. [Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87544 (United States); Lockheed-Martin, 497 Electronics Parkway, Syracuse, New York 13221 (United States)

2016-11-15

We present synthetic transmission spectra generated with PrismSPECT utilizing both the ATBASE model and the Los Alamos opacity library (OPLIB) to evaluate whether an alternative choice in atomic data will impact modeling of experimental data from radiation transport experiments using Sc-doped aerogel foams (ScSi{sub 6}O{sub 12} at 75 mg/cm{sup 3} density). We have determined that in the 50-200 eV T{sub e} range there is a significant difference in the 1s-3p spectra, especially below 100 eV, and for T{sub e} = 200 eV above 5000 eV in photon energy. Examining synthetic spectra generated using OPLIB with 300 resolving power reveals spectral sensitivity to T{sub e} changes of ∼3 eV.

Spectra of Th/Ar and U/Ne hollow cathode lamps for spectrograph calibration

Science.gov (United States)

Nave, Gillian; Shlosberg, Ariel; Kerber, Florian; Den Hartog, Elizabeth; Neureiter, Bianca

2018-01-01

Low-current Th/Ar hollow cathode lamps have long been used for calibration of astronomical spectrographs on ground-based telescopes. Thorium is an attractive element for calibration as it has a single isotope, has narrow spectral lines, and has a dense spectrum covering the whole of the visible region. However, the high density of the spectrum that makes it attractive for calibrating high-resolution spectrographs is a detriment for lower resolution spectrographs and this is not obvious by examination of existing linelists. In addition, recent changes in regulations regarding the handling of thorium have led to a degradation in the quality of Th/Ar calibration lamps, with contamination by molecular ThO lines that are strong enough to obscure the calibration lines of interest.We are pursuing two approaches to these problems. First, we have expanded and improved the NIST Standard Reference Database 161, "Spectrum of Th-Ar Hollow Cathode Lamps" to cover the region 272 nm to 5500 nm. Spectra of hollow cathode lamps at up to 3 different currents can now be displayed simultaneously. Interactive zooming and the ability to convolve any of the spectra with a Gaussian or uploaded instrument profile enable the user to see immediately what the spectrum would look like at the particular resolution of their spectrograph. Second, we have measured the spectrum of a recent, contaminated Th/Ar hollow cathode lamp using a high-resolution Echelle spectrograph (Madison Wisconsin) at a resolving power (R~ 250,000). This significantly exceeds the resolving power of most astronomical spectrographs and resolves many of the molecular lines of ThO. With these spectra we are measuring and calibrating the positions of these molecular lines in order to make them suitable for spectrograph calibration.In the near infrared region, U/Ne hollow cathode lamps give a higher density of calibration lines than Th/Ar lamps and will be implemented on the upgraded CRIRES+ spectrograph on ESO’s Very Large

Infrared and near infrared emission spectra of TeH and TeD

Science.gov (United States)

Yu, Shanshan; Shayesteh, Alireza; Fu, Dejian; Bernath, Peter F.

2005-04-01

The vibration-rotation emission spectra for the X2Π ground state and the near infrared emission spectra of the X2Π 1/2- X2Π 3/2 system of the TeH and TeD free radicals have been measured at high resolution using a Fourier transform spectrometer. TeH and TeD were generated in a tube furnace with a DC discharge of a flowing mixture of argon, hydrogen (or deuterium), and tellurium vapor. In the infrared region, for the X2Π 3/2 spin component we observed the 1-0, 2-1, and 3-2 vibrational bands for most of the eight isotopologues of TeH and the 1-0 and 2-1 bands for three isotopologues of TeD. For the X2Π 1/2- X2Π 3/2 transition, we observed the 0-0 and 1-1 bands for TeH and the 0-0, 1-1, and 2-2 bands for TeD. Except for a few lines, the tellurium isotopic shift was not resolved for the X2Π 1/2- X2Π 3/2 transitions of TeH and TeD. Local perturbations with Δ v = 2 between the two spin components of the X2Π state of TeH were found: X2Π 1/2, v = 0 with X2Π 3/2, v = 2; X2Π 1/2, v = 1 with X2Π 3/2, v = 3. The new data were combined with the previous data from the literature and two kinds of fits (Hund's case (a) and Hund's case (c)) were carried out for each of the 10 observed isotopologues: 130TeD, 128TeD, 126TeD, 130TeH, 128TeH, 126TeH, 125TeH, 124TeH, 123TeH, and 122TeH.

The Astrophysical Weeds: Rotational Transitions in Excited Vibrational States

Science.gov (United States)

Alonso, José L.; Kolesniková, Lucie; Alonso, Elena R.; Mata, Santiago

2017-06-01

The number of unidentified lines in the millimeter and submillimeter wave surveys of the interstellar medium has grown rapidly. The major contributions are due to rotational transitions in excited vibrational states of a relatively few molecules that are called the astrophysical weeds. necessary data to deal with spectral lines from astrophysical weeds species can be obtained from detailed laboratory rotational measurements in the microwave and millimeter wave region. A general procedure is being used at Valladolid combining different time and/or frequency domain spectroscopic tools of varying importance for providing the precise set of spectroscopic constants that could be used to search for this species in the ISM. This is illustrated in the present contribution through its application to several significant examples. Fortman, S. M., Medvedev, I. R., Neese, C.F., & De Lucia, F.C. 2010, ApJ,725, 1682 Rotational Spectra in 29 Vibrationally Excited States of Interstellar Aminoacetonitrile, L. Kolesniková, E. R. Alonso, S. Mata, and J. L. Alonso, The Astrophysical Journal Supplement Series 2017, (in press).

Poisson and Porter-Thomas fluctuations in off-yrast rotational transitions

International Nuclear Information System (INIS)

Matsuo, M.; Doessing, T.; Herskind, B.; Frauendorf, S.

1993-01-01

Fluctuations associated with stretched E2 transitions from high-spin levels in nuclei around 168 Yb are investigated by a cranked shell model extended to include residual two-body interactions. In the cranked mean-field model without residual interactions, it is found that gamma-ray energies behave like random variables and the energy spectra show Poisson fluctuation. With two-body residual interactions included, the discrete transition pattern with unmixed rotational bands is still valid up to around 600 keV above yrast, in good agreement with experiments. At higher excitation energy, a gradual onset of rotational damping emerges. At 1.8 MeV above yrast, complete damping is observed with GOE-type fluctuations for both energy levels and transition strengths (Porter-Thomas fluctuations). (orig.)

Experimental estimates of quasiparticle interactions for rotational nuclei

International Nuclear Information System (INIS)

Frauendorf, S.; Riedinger, L.L.

1984-01-01

Previously presented data on rotationally aligned quasiparticle bands in sup(160,161,162,163)Yb are analyzed to give experimental values of the quasiparticle interactions Vsub(μν) as a function of rotational frequency. The measured level energies are converted to the rotating frame of reference and expressed as routhians. The routhian of a multi-quasiparticle band is compared to the sum of the routhians of the component quasiparticles at a given frequency, the difference being the quasiparticle interaction. The experimental spectra of bands in these nuclei are consistent with the assumption of a binary interaction between the rotating quasiparticles, where most of the Vsub(μν) are in the range -0.3 to -0.1 MeV. Analysis of the shift in the observed crossing frequencies for bands of different quasiparticle number yields similar values. The extracted Vsub(μν) are found to have a frequency dependence, which is associated with the loss of alignment of a multi-quasiparticle state. An equidistant-level model is used to estimate the contributions to the quasiparticle interactions by polarization of the collective degrees of freedom. This model yields typical Vsub(μν) values of -0.15 MeV, which is only half of some values extracted from experiment. This suggests that the extracted Vsub(μν) contain a significant amount of nuclear-structure information. (orig.)

Rotational spectrum and structure of the carbonyl sulfide-trifluoromethane weakly bound dimer.

Science.gov (United States)

Serafin, Michal M; Peebles, Sean A

2006-11-02

Pure rotational spectra of five isotopomers of the 1:1 weakly bound complex formed between carbonyl sulfide and trifluoromethane (TFM) have been measured using Fourier transform microwave spectroscopy. The experimental rotational constants and dipole moment components are consistent with a structure of C(s) symmetry in which the dipole moment vectors of OCS and HCF(3) are aligned antiparallel and at an angle of about 40 degrees and with a center of mass separation of 3.965(26) A. The derived H...O distance is 2.90(5) A, which is up to 0.6 A longer than is seen in other similar TFM complexes exhibiting C-H...O interactions. Ab initio calculations at the MP2/6-311++G(2d,2p) level give a structure with rotational constants that are in reasonable agreement with those of the normal isotopic species.

Main-ion temperature and plasma rotation measurements based on scattering of electron cyclotron heating waves in ASDEX Upgrade

DEFF Research Database (Denmark)

Pedersen, Morten Stejner; Rasmussen, Jesper; Nielsen, Stefan Kragh

2017-01-01

We demonstrate measurements of spectra of O-mode electron cyclotron resonance heating (ECRH) waves scattered collectively from microscopic plasma fluctuations in ASDEX Upgrade discharges with an ITER-like ECRH scenario. The measured spectra are shown to allow determination of the main ion...... temperature and plasma rotation velocity. This demonstrates that ECRH systems can be exploited for diagnostic purposes alongside their primary heating purpose in a reactor relevant scenario....

Resolved magnetic-field structure and variability near the event horizon of Sagittarius A.

Science.gov (United States)

Johnson, Michael D; Fish, Vincent L; Doeleman, Sheperd S; Marrone, Daniel P; Plambeck, Richard L; Wardle, John F C; Akiyama, Kazunori; Asada, Keiichi; Beaudoin, Christopher; Blackburn, Lindy; Blundell, Ray; Bower, Geoffrey C; Brinkerink, Christiaan; Broderick, Avery E; Cappallo, Roger; Chael, Andrew A; Crew, Geoffrey B; Dexter, Jason; Dexter, Matt; Freund, Robert; Friberg, Per; Gold, Roman; Gurwell, Mark A; Ho, Paul T P; Honma, Mareki; Inoue, Makoto; Kosowsky, Michael; Krichbaum, Thomas P; Lamb, James; Loeb, Abraham; Lu, Ru-Sen; MacMahon, David; McKinney, Jonathan C; Moran, James M; Narayan, Ramesh; Primiani, Rurik A; Psaltis, Dimitrios; Rogers, Alan E E; Rosenfeld, Katherine; SooHoo, Jason; Tilanus, Remo P J; Titus, Michael; Vertatschitsch, Laura; Weintroub, Jonathan; Wright, Melvyn; Young, Ken H; Zensus, J Anton; Ziurys, Lucy M

2015-12-04

Near a black hole, differential rotation of a magnetized accretion disk is thought to produce an instability that amplifies weak magnetic fields, driving accretion and outflow. These magnetic fields would naturally give rise to the observed synchrotron emission in galaxy cores and to the formation of relativistic jets, but no observations to date have been able to resolve the expected horizon-scale magnetic-field structure. We report interferometric observations at 1.3-millimeter wavelength that spatially resolve the linearly polarized emission from the Galactic Center supermassive black hole, Sagittarius A*. We have found evidence for partially ordered magnetic fields near the event horizon, on scales of ~6 Schwarzschild radii, and we have detected and localized the intrahour variability associated with these fields. Copyright © 2015, American Association for the Advancement of Science.

Multiplexing 32,000 spectra onto 8 detectors: the HARMONI field splitting, image slicing, and wavelength selecting optics

Science.gov (United States)

Tecza, Matthias; Thatte, Niranjan; Clarke, Fraser; Freeman, David; Kosmalski, Johan

2012-09-01

HARMONI, the High Angular Resolution Monolithic Optical & Near-infrared Integral field spectrograph is one of two first-light instruments for the European Extremely Large Telescope. Over a 256x128 pixel field-of-view HARMONI will simultaneously measure approximately 32,000 spectra. Each spectrum is about 4000 spectral pixels long, and covers a selectable part of the 0.47-2.45 μm wavelength range at resolving powers of either R≍4000, 10000, or 20000. All 32,000 spectra are imaged onto eight HAWAII4RG detectors using a multiplexing scheme that divides the input field into four sub-fields, each imaged onto one image slicer that in turn re-arranges a single sub-field into two long exit slits feeding one spectrograph each. In total we require eight spectrographs, each with one HAWAII4RG detector. A system of articulated and exchangeable fold-mirrors and VPH gratings allows one to select different spectral resolving powers and wavelength ranges of interest while keeping a fixed geometry between the spectrograph collimator and camera avoiding the need for an articulated grating and camera. In this paper we describe both the field splitting and image slicing optics as well as the optics that will be used to select both spectral resolving power and wavelength range.

Transverse plane pelvic rotation increase (TPPRI following rotationally corrective instrumentation of adolescent idiopathic scoliosis double curves

Directory of Open Access Journals (Sweden)

Asher Marc A

2010-08-01

Full Text Available Abstract Background We have occasionally observed clinically noticeable postoperative transverse plane pelvic rotation increase (TPPRI in the direction of direct thoracolumbar/lumbar rotational corrective load applied during posterior instrumentation and arthrodesis for double (Lenke 3 and 6 adolescent idiopathic scoliosis (AIS curves. Our purposes were to document this occurrence; identify its frequency, associated variables, and natural history; and determine its effect upon patient outcome. Methods Transverse plane pelvic rotation (TPPR can be quantified using the left/right hemipelvis width ratio as measured on standing posterior-anterior scoliosis radiographs. Descriptive statistics were done to determine means and standard deviations. Non-parametric statistical tests were used due to the small sample size and non-normally distributed data. Significance was set at P Results Seventeen of 21 (81% consecutive patients with double curves (7 with Lenke 3 curves and 10 with Lenke 6 instrumented with lumbar pedicle screw anchors to achieve direct rotation had a complete sequence of measurable radiographs. While 10 of these 17 had no postoperative TPPRI, 7 did all in the direction of the rotationally corrective thoracolumbar instrumentation load. Two preoperative variables were associated with postoperative TPPRI: more tilt of the vertebra below the lower instrumented vertebra (-23° ± 3.1° vs. -29° ± 4.6°, P = 0.014 and concurrent anterior thoracolumbar discectomy and arthrodesis (5 of 10 vs. 7 of 7, P = 0.044. Patients with a larger thoracolumbar/lumbar angle of trunk inclination or larger lower instrumented vertebra plus one to sacrum fractional/hemicurve were more likely to have received additional anterior thoracolumbar discectomy and arthrodesis (c = 0.90 and c = 0.833, respectively. Postoperative TPPRI resolved in 5 of the 7 by intermediate follow-up at 12 months. Patient outcome was not adversely affected by postoperative TPPRI

Host material induced hyperfine structure of F{sup +} centres EPR spectra in CaS

Energy Technology Data Exchange (ETDEWEB)

Seeman, Viktor, E-mail: viktor.seeman@ut.ee; Dolgov, Sergei; Maaroos, Aarne

2017-05-15

The hyperfine structure (HFS) of F{sup +} centres in CaS single crystals due to the interaction with {sup 33}S and {sup 43}Ca nuclei was observed in EPR spectra for the first time. Angular variations of the HFS were measured for rotation of magnetic field in {100} and {110} crystallographic planes. Using measured orientation-dependent EPR spectra and the EPR NMR program, the parameters of the spin Hamiltonian were determined. In case of {sup 33}S nucleus there is a strong dependence of the F{sup +} centre EPR spectrum on the quadrupole term whereas for {sup 43}Ca nucleus this dependence is insignificant.

Resolving electrical conductivities from collisionally damped plasmons in isochorically heated warm dense aluminum

Energy Technology Data Exchange (ETDEWEB)

Sperling, P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Fletcher, L. B. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Chung, H. -K. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Gamboa, E. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Lee, H. J. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Omarbakiyeva, Y. [International IT Univ., Almaty (Kazakhstan); Univ. Rostock (Germany); Reinholz, H. [Univ. Rostock (Germany); ; Univ. of Western Australia, Crawley, WA (Australia); Ropke, G. [Univ. Rostock (Germany); Rosmej, S. [Univ. Rostock (Germany); Zastrau, U. [European XFEL, Hamburg (Germany); Glenzer, S. H. [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2016-03-29

We measure the highly-resolved inelastic x-ray scattering spectrum of isochorically ultrafast heated aluminum. In the x-ray forward scattering spectra the electron temperature could be measured from the down- and upshifted plasmon, where the electron density of ne = 1:8 1023 cm³ is known a priori. We have studied the plasmon damping by applying electron-particle collision models beyond the Born approximation determining the electrical conductivity of warm dense aluminum.

Time-resolved fuel injector flow characterisation based on 3D laser Doppler vibrometry

OpenAIRE

Crua, Cyril; Heikal, Morgan R.

2015-01-01

In order to enable investigations of the fuel flow inside unmodified injectors, we have developed a new experimental approach to measure time-resolved vibration spectra of diesel nozzles using a three dimensional laser vibrometer. The technique we propose is based on the triangulation of the vibrometer and fuel pressure transducer signals, and enables the quantitative characterisation of quasi-cyclic internal flows without requiring modifications to the injector, the working fluid, or limitin...

Subgrid-scale models for large-eddy simulation of rotating turbulent channel flows

Science.gov (United States)

Silvis, Maurits H.; Bae, Hyunji Jane; Trias, F. Xavier; Abkar, Mahdi; Moin, Parviz; Verstappen, Roel

2017-11-01

We aim to design subgrid-scale models for large-eddy simulation of rotating turbulent flows. Rotating turbulent flows form a challenging test case for large-eddy simulation due to the presence of the Coriolis force. The Coriolis force conserves the total kinetic energy while transporting it from small to large scales of motion, leading to the formation of large-scale anisotropic flow structures. The Coriolis force may also cause partial flow laminarization and the occurrence of turbulent bursts. Many subgrid-scale models for large-eddy simulation are, however, primarily designed to parametrize the dissipative nature of turbulent flows, ignoring the specific characteristics of transport processes. We, therefore, propose a new subgrid-scale model that, in addition to the usual dissipative eddy viscosity term, contains a nondissipative nonlinear model term designed to capture transport processes, such as those due to rotation. We show that the addition of this nonlinear model term leads to improved predictions of the energy spectra of rotating homogeneous isotropic turbulence as well as of the Reynolds stress anisotropy in spanwise-rotating plane-channel flows. This work is financed by the Netherlands Organisation for Scientific Research (NWO) under Project Number 613.001.212.

Along-wind response of a wind turbine tower with blade coupling subjected to rotationally sampled wind loading

Energy Technology Data Exchange (ETDEWEB)

Murtagh, P J; Basu, B; Broderick, B M [Department of Civil, Structural and Environmental Engineering, Trinity College, Dublin (Ireland)

2005-07-15

This paper proposes an approach to investigate the along-wind forced vibration response of a wind turbine tower and rotating blades assembly subjected to rotationally sampled stationary wind loading. The wind turbine assembly consists of three rotating rotor blades connected to the top of a flexible annular tower, constituting a multi-body dynamic entity. The tower and rotating blades are each modelled as discretized multi-degree-of-freedom (MDOF) entities, allowing the free vibration characteristics of each to be obtained using a discrete parameter approach. The free vibration properties of the tower include the effect of a rigid mass at the top, representing the nacelle, and those of the blade include the effects of centrifugal stiffening due to rotation and blade gravity loadings. The blades are excited by drag force time-histories derived from discrete Fourier transform (DFT) representations of rotationally sampled wind turbulence spectra. Blade response time-histories are obtained using the mode acceleration method, which allows for the quantification of base shear forces due to flapping for the three blades to be obtained. This resultant base shear is imparted into the top of the tower. Wind drag loading on the tower is also considered, with a series of spatially correlated nodal force time-histories being derived using DFTs of wind force spectra. The tower/nacelle is then coupled with the rotating blades by combining their equations of motion and solving for the displacement at the top of the tower under compatibility conditions in the frequency domain. An inverse Fourier transform of the frequency domain response yields the response time-history of the coupled system. The response of an equivalent system that does not consider the blade/tower interaction is also investigated, and the results are compared. (Author)

Oligomers Based on a Weak Hydrogen Bond Network: the Rotational Spectrum of the Tetramer of Difluoromethane

Science.gov (United States)

Feng, Gang; Evangelisti, Luca; Caminati, Walther; Cacelli, Ivo; Carbonaro, Laura; Prampolini, Giacomo

2013-06-01

Following the investigation of the rotational spectra of three conformers (so-called ``book'', ``prism'' and ``cage'') of the water hexamer, and of some other water oligomers, we report here the rotational spectrum of the tetramer of a freon molecule. The pulse jet Fourier transform microwave (pj-FTMW) spectrum of an isomer of the difluoromethane tetramer has been assigned. This molecular system is made of units of a relatively heavy asymmetric rotor, held together by a network of weak hydrogen bonds. The search of the rotational spectrum has been based on a high-level reference method, the CCSD(T)/CBS protocol. It is interesting to outline that the rotational spectrum of the water tetramer was not observed, probably because the minimum energy structures of this oligomer is effectively nonpolar in its ground states, or because of high energy tunnelling splittings. The rotational spectra of the monomer, dimer, trimer and tetramer of difluoromethane have been assigned in 1952, 1999, 2007, and 2013 (present work), with a decreasing time spacing between the various steps, looking then promising for a continuous and rapid extension of the size limits of molecular systems accessible to MW spectroscopy. C. Pérez, M. T. Muckle, D. P. Zaleski, N. A. Seifert, B. Temelso, G. C. Shields, Z. Kisiel, B. H. Pate, Science {336} (2012) 897. D. R. Lide, Jr., J. Am. Chem. Soc. {74} (1952) 3548. W. Caminati, S. Melandri, P. Moreschini, P. G. Favero, Angew. Chem. Int. Ed. {38} (1999) 2924. S. Blanco, S. Melandri, P. Ottaviani, W. Caminati, J. Am. Chem. Soc. {129} (2007) 2700.

Translational and rotational dynamics of water in mesoporous silica materials: MCM-41-S and MCM-48-S

International Nuclear Information System (INIS)

Faraone, Antonio; Liu Li; Mou, C.-Y.; Shih, P.-C.; Copley, John R.D.; Chen, S.-H.

2003-01-01

We investigated the translational and rotational dynamics of water molecules in mesoporous silica materials MCM-41-S and MCM-48-S using the incoherent quasielastic neutron scattering technique. The range of wave vector transfers Q covered in the measurements was from 0.27 to 1.93 Aa -1 broad enough to detect both the translational and rotational contributions to the scattering. We used the relaxing-cage models for both translational and rotational motions which we developed earlier, to analyze the QENS spectra and investigated water dynamics in a supercooled range from 250 to 280 K. The results show a marked slowing down of both the translational and rotational relaxation times, and an increasing effect of confinement on the translational motion, as the temperature is lowered

Angle-resolved photoemission extended fine structure

International Nuclear Information System (INIS)

Barton, J.J.

1985-03-01

Measurements of the Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the S(1s) core level of a c(2 x 2)S/Ni(001) are analyzed to determine the spacing between the S overlayer and the first and second Ni layers. ARPEFS is a type of photoelectron diffraction measurement in which the photoelectron kinetic energy is swept typically from 100 to 600 eV. By using this wide range of intermediate energies we add high precision and theoretical simplification to the advantages of the photoelectron diffraction technique for determining surface structures. We report developments in the theory of photoelectron scattering in the intermediate energy range, measurement of the experimental photoemission spectra, their reduction to ARPEFS, and the surface structure determination from the ARPEFS by combined Fourier and multiple-scattering analyses. 202 refs., 67 figs., 2 tabs

Time-resolved EPR study of singlet oxygen in the gas phase.

Science.gov (United States)

Ruzzi, Marco; Sartori, Elena; Moscatelli, Alberto; Khudyakov, Igor V; Turro, Nicholas J

2013-06-27

X-band EPR spectra of singlet O2((1)Δg) and triplet O2((3)Σg(-)) were observed in the gas phase under low molecular-oxygen pressures PO2 = 0.175-0.625 Torr, T = 293-323 K. O2((1)Δg) was produced by quenching of photogenerated triplet sensitizers naphthalene C8H10, perdeuterated naphthalene, and perfluoronaphthalene in the gas phase. The EPR spectrum of O2((1)Δg) was also observed under microwave discharge. Integrated intensities and line widths of individual components of the EPR spectrum of O2((3)Σg(-)) were used as internal standards for estimating the concentration of O2 species and PO2 in the EPR cavity. Time-resolved (TR) EPR experiments of C8H10 were the main focus of this Article. Pulsed irradiation of C8H10 in the presence of O2((3)Σg(-)) allowed us to determine the kinetics of formation and decay for each of the four components of the O2((1)Δg) EPR signal, which lasted for only a few seconds. We found that the kinetics of EPR-component decay fit nicely to a biexponential kinetics law. The TR EPR 2D spectrum of the third component of the O2((1)Δg) EPR spectrum was examined in experiments using C8H10. This spectrum vividly presents the time evolution of an EPR component. The largest EPR signal and the longest lifetime of O2((1)Δg), τ = 0.4 s, were observed at medium pressure PO2 = 0.4 Torr, T = 293 K. The mechanism of O2((1)Δg) decay in the presence of photosensitizers is discussed. EPR spectra of O2((1)Δg) evidence that the spin-rotational states of O2((1)Δg) are populated according to Boltzmann distribution in the studied time range of 10-100 ms. We believe that this is the first report dealing with the dependence of O2((1)Δg) EPR line width on PO2 and T.

[Investigation on the gas temperature of a plasma jet at atmospheric pressure by emission spectrum].

Science.gov (United States)

Li, Xue-chen; Yuan, Ning; Jia, Peng-ying; Niu, Dong-ying

2010-11-01

A plasma jet of a dielectric barrier discharge in coaxial electrode was used to produce plasma plume in atmospheric pressure argon. Spatially and temporally resolved measurement was carried out by photomultiplier tubes. The light emission signals both from the dielectric barrier discharge and from the plasma plume were analyzed. Furthermore, emission spectrum from the plasma plume was collected by high-resolution optical spectrometer. The emission spectra of OH (A 2sigma + --> X2 II, 307.7-308.9 nm) and the first negative band of N2+ (B2 sigma u+ --> X2 IIg+, 390-391.6 nm) were used to estimate the rotational temperature of the plasma plume by fitting the experimental spectra to the simulated spectra. The rotational temperature obtained is about 443 K by fitting the emission spectrum from the OH, and that from the first negative band of N2+ is about 450 K. The rotational temperatures obtained by the two method are consistent within 5% error band. The gas temperature of the plasma plume at atmospheric pressure was obtained because rotational temperature equals to gas temperature approximately in gas discharge at atmospheric pressure. Results show that gas temperature increases with increasing the applied voltage.

Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals

International Nuclear Information System (INIS)

Lynden-Bell, R.M.; Michel, K.H.

1994-01-01

Many of the properties of orientationally disordered crystals are profoundly affected by the coupling (known as translation-rotation coupling) between translation displacements and molecular orientation. The consequences of translation-rotation coupling depend on molecular and crystal symmetry, and vary throughout the Brillouin zone. One result is an indirect coupling between the orientations of different molecules, which plays an important role in the order/disorder phase transition, especially in ionic orientationally disordered crystals. Translation-rotation coupling also leads to softening of elastic constants and affects phonon spectra. This article describes the theory of the coupling from the point of view of the microscopic Hamiltonian and the resulting Landau free energy. Considerable emphasis is placed on the restrictions due to symmetry as these are universal and can be used to help one's qualitative understanding of experimental observations. The application of the theory to phase transitions is described. The softening of elastic constants is discussed and shown to be universal. However, anomalies associated with the order/disorder phase transition are shown to be restricted to cases in which the symmetry of the order parameter satisfies certain conditions. Dynamic effects on phonon spectra are described and finally the recently observed dielectric behavior of ammonium compounds is discussed. Throughout the article examples from published experiments are used to illustrate the application of the theory including well known examples such as the alkali metal cyanides and more recently discovered orientationally disordered crystals such as the fullerite, C 60

Rotational Spectral Unmixing of Exoplanets: Degeneracies between Surface Colors and Geography

Energy Technology Data Exchange (ETDEWEB)

Fujii, Yuka [NASA Goddard Institute for Space Studies, New York, NY 10025 (United States); Lustig-Yaeger, Jacob [Astronomy Department, University of Washington, Box 951580, Seattle, WA 98195 (United States); Cowan, Nicolas B., E-mail: yuka.fujii.ebihara@gmail.com [Department of Earth and Planetary Sciences, McGill University, Montreal, Quebec, H3A 0E8 (Canada)

2017-11-01

Unmixing the disk-integrated spectra of exoplanets provides hints about heterogeneous surfaces that we cannot directly resolve in the foreseeable future. It is particularly important for terrestrial planets with diverse surface compositions like Earth. Although previous work on unmixing the spectra of Earth from disk-integrated multi-band light curves appeared successful, we point out a mathematical degeneracy between the surface colors and their spatial distributions. Nevertheless, useful constraints on the spectral shape of individual surface types may be obtained from the premise that albedo is everywhere between 0 and 1. We demonstrate the degeneracy and the possible constraints using both mock data based on a toy model of Earth, as well as real observations of Earth. Despite the severe degeneracy, we are still able to recover an approximate albedo spectrum for an ocean. In general, we find that surfaces are easier to identify when they cover a large fraction of the planet and when their spectra approach zero or unity in certain bands.

Rotational Spectral Unmixing of Exoplanets: Degeneracies Between Surface Colors and Geography

Science.gov (United States)

Fujii, Yuka; Lustig-Yaeger, Jacob; Cowan, Nicolas B.

2017-01-01

Unmixing the disk-integrated spectra of exoplanets provides hints about heterogeneous surfaces that we cannot directly resolve in the foreseeable future. It is particularly important for terrestrial planets with diverse surface compositions like Earth. Although previous work on unmixing the spectra of Earth from disk-integrated multi-band light curves appeared successful, we point out a mathematical degeneracy between the surface colors and their spatial distributions. Nevertheless, useful constraints on the spectral shape of individual surface types may be obtained from the premise that albedo is everywhere between 0 and 1. We demonstrate the degeneracy and the possible constraints using both mock data based on a toy model of Earth, as well as real observations of Earth. Despite the severe degeneracy, we are still able to recover an approximate albedo spectrum for an ocean. In general, we find that surfaces are easier to identify when they cover a large fraction of the planet and when their spectra approach zero or unity in certain bands.

Towards atomically resolved EELS elemental and fine structure mapping via multi-frame and energy-offset correction spectroscopy.

Science.gov (United States)

Wang, Yi; Huang, Michael R S; Salzberger, Ute; Hahn, Kersten; Sigle, Wilfried; van Aken, Peter A

2018-01-01

Electron energy-loss spectroscopy and energy-dispersive X-ray spectroscopy are two of the most common means for chemical analysis in the scanning transmission electron microscope. The marked progress of the instrumentation hardware has made chemical analysis at atomic resolution readily possible nowadays. However, the acquisition and interpretation of atomically resolved spectra can still be problematic due to image distortions and poor signal-to-noise ratio of the spectra, especially for investigation of energy-loss near-edge fine structures. By combining multi-frame spectrum imaging and automatic energy-offset correction, we developed a spectrum imaging technique implemented into customized DigitalMicrograph scripts for suppressing image distortions and improving the signal-to-noise ratio. With practical examples, i.e. SrTiO 3 bulk material and Sr-doped La 2 CuO 4 superlattices, we demonstrate the improvement of elemental mapping and the EELS spectrum quality, which opens up new possibilities for atomically resolved EELS fine structure mapping. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Decomposing the permeability spectra of nanocrystalline finemet core

Directory of Open Access Journals (Sweden)

Lajos K. Varga

2018-04-01

Full Text Available In this paper we present a theoretical and experimental investigation on the magnetization contributions to permeability spectra of normal annealed Finemet core with round type hysteresis curve. Real and imaginary parts of the permeability were determined as a function of exciting magnetic field (HAC between 40 Hz -110 MHz using an Agilent 4294A type Precision Impedance Analyzer. The amplitude of the exciting field was below and around the coercive field of the sample. The spectra were decomposed using the Levenberg–Marquardt algorithm running under Origin 9 software in four contributions: i eddy current; ii Debye relaxation of magnetization rotation, iii Debye relaxation of damped domain wall motion and iv resonant type DW motion. For small exciting amplitudes the first two components dominate. The last two contributions connected to the DW appear for relative large HAC only, around the coercive force. All the contributions will be discussed in detail accentuating the role of eddy current that is not negligible even for the smallest applied exciting field.

Signal-to-noise ratio of FT-IR CO gas spectra

DEFF Research Database (Denmark)

Bak, J.; Clausen, Sønnik

1999-01-01

in emission and transmission spectrometry, an investigation of the SNR in CO gas spectra as a function of spectral resolution has been carried out. We present a method to (1) determine experimentally the SNR at constant throughput, (2) determine the SNR on the basis of measured noise levels and Hitran......The minimum amount of a gaseous compound which can be detected and quantified with Fourier transform infrared (FT-IR) spectrometers depends on the signal-to-noise ratio (SNR) of the measured gas spectra. In order to use low-resolution FT-IR spectrometers to measure combustion gases like CO and CO2...... simulated signals, and (3) determine the SNR of CO from high to low spectral resolutions related to the molecular linewidth and vibrational-rotational lines spacing. In addition, SNR values representing different spectral resolutions but scaled to equal measurement times were compared. It was found...

QPOs from Random X-ray Bursts around Rotating Black Holes

Science.gov (United States)

Kukumura, Keigo; Kazanas, Demosthenes; Stephenson, Gordon

2009-01-01

We continue our earlier studies of quasi-periodic oscillations (QPOs) in the power spectra of accreting, rapidly-rotating black holes that originate from the geometric 'light echoes' of X-ray flares occurring within the black hole ergosphere. Our present work extends our previous treatment to three-dimensional photon emission and orbits to allow for arbitrary latitudes in the positions of the distant observers and the X-ray sources in place of the mainly equatorial positions and photon orbits of the earlier consideration. Following the trajectories of a large number of photons we calculate the response functions of a given geometry and use them to produce model light curves which we subsequently analyze to compute their power spectra and autocorrelation functions. In the case of an optically-thin environment, relevant to advection-dominated accretion flows, we consistently find QPOs at frequencies of order of approximately kHz for stellar-mass black hole candidates while order of approximately mHz for typical active galactic nuclei (approximately equal to 10(exp 7) solar mass) for a wide range of viewing angles (30 degrees to 80 degrees) from X-ray sources predominantly concentrated toward the equator within the ergosphere. As in out previous treatment, here too, the QPO signal is produced by the frame-dragging of the photons by the rapidly-rotating black hole, which results in photon 'bunches' separated by constant time-lags, the result of multiple photon orbits around the hole. Our model predicts for various source/observer configurations the robust presence of a new class of QPOs, which is inevitably generic to curved spacetime structure in rotating black hole systems.

Metalation of positively charged water soluble mesoporphyrins studied via time-resolved SERRS spectroscopy

Science.gov (United States)

Procházka, Marek; Hanzliková, Jana; Štěpánek, Josef; Baumruk, Vladimir

1997-06-01

Time-resolved SERRS spectra of 5,10,15,20-tetrakis[4-(trimethylammonio)phenyl]21 H,23 H-porphine (TMAP) were recorded (using a multichannel Raman spectrometer) in various SERS-active Ag colloid/porphyrin systems. Data treatment based on a factor analysis was used to decompose all the SERRS spectra into two main components: SERRS spectrum of the free base TMAP and that of its Ag metalated form. The metalation kinetics obtained in this way was found to be highly dependent on the presence of phosphate anions, citrate and/or Triton X-100 in the colloidal system. The results are analogous to those previously obtained for 5,10,15,20-tetrakis(1-methyl-4-pyridyl)21 H,23 H-porphine, a porphyrin with a substantially stronger tendency towards metalation.

Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons

Science.gov (United States)

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

1990-07-01

We have extended the wavelength range of our previously constructed multichannel, fast recording spectrometer to the mid-infrared. With the initial configuration, using a silicon-diode (photovoltaic) array, we recorded light intensities simultaneously at 20 adjacent wavelengths, each with 20 μs time resolution. For studies in the infrared the silicon diodes are replaced by a 20 element PbSe (photoconducting) array of similar dimensions (1×4 mm/element), cooled by a three-stage thermoelectric device. These elements have useful sensitivities over 1.0-6.7 μm. Three interchangeable gratings in a 1/4 m monochromator cover the following spectral ranges: 1.0-2.5 μm (resolution 33.6 cm-1) 2.5-4.5 μm (16.8 cm-1) 4.0-6.5 μm (16.7 cm-1). Incorporated in the new housing there are individually controlled bias-power sources for each detector, two stages of analogue amplification and a 20-line parallel output to the previously constructed digitizer, and record/hold computer. The immediate application of this system is the study of emission and absorption spectra of shock heated hydrocarbons-C2H2, C4H4 and C6H6-which are possible precursors of species that generate infrared emissions in the interstellar medium. It has been recently proposed that these radiations are due to PAH that emit in the infrared upon relaxation from highly excited states. However, it is possible that such emissions could be due to shock-heated low molecular-weight hydrocarbons, which are known to be present in significant abundances, ejected into the interstellar medium during stellar outer atmospheric eruptions. The full Swan band system appeared in time-integrated emission spectra from shock heated C2H2 (1% in Ar; T5eq~=2500K) 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

Time-Resolved Spectroscopy Diagnostic of Laser-Induced Optical Breakdown

Directory of Open Access Journals (Sweden)

Christian G. Parigger

2010-01-01

Full Text Available Transient laser plasma is generated in laser-induced optical breakdown (LIOB. Here we report experiments conducted with 10.6-micron CO2 laser radiation, and with 1.064-micron fundamental, 0.532-micron frequency-doubled, 0.355-micron frequency-tripled Nd:YAG laser radiation. Characterization of laser induced plasma utilizes laser-induced breakdown spectroscopy (LIBS techniques. Atomic hydrogen Balmer series emissions show electron number density of 1017 cm−3 measured approximately 10 μs and 1 μs after optical breakdown for CO2 and Nd:YAG laser radiation, respectively. Recorded molecular recombination emission spectra of CN and C2 Swan bands indicate an equilibrium temperature in excess of 7000 Kelvin, inferred for these diatomic molecules. Reported are also graphite ablation experiments where we use unfocused laser radiation that is favorable for observation of neutral C3 emission due to reduced C3 cation formation. Our analysis is based on computation of diatomic molecular spectra that includes accurate determination of rotational line strengths, or Hönl-London factors.

Nanosecond retinal structure changes in K-590 during the room-temperature bacteriorhodopsin photocycle: picosecond time-resolved coherent anti-stokes Raman spectroscopy

OpenAIRE

Weidlich, O.; Ujj, L.; Jäger, F.; Atkinson, G.H.

1997-01-01

Time-resolved vibrational spectra are used to elucidate the structural changes in the retinal chromophore within the K-590 intermediate that precedes the formation of the L-550 intermediate in the room-temperature (RT) bacteriorhodopsin (BR) photocycle. Measured by picosecond time-resolved coherent anti-Stokes Raman scattering (PTR/CARS), these vibrational data are recorded within the 750 cm-1 to 1720 cm-1 spectral region and with time delays of 50-260 ns after the RT/BR photocycle is optical...

NIR-driven Moist Upper Atmospheres of Synchronously Rotating Temperate Terrestrial Exoplanets

International Nuclear Information System (INIS)

Fujii, Yuka; Del Genio, Anthony D.; Amundsen, David S.

2017-01-01

H 2 O is a key molecule in characterizing atmospheres of temperate terrestrial planets, and observations of transmission spectra are expected to play a primary role in detecting its signatures in the near future. The detectability of H 2 O absorption features in transmission spectra depends on the abundance of water vapor in the upper part of the atmosphere. We study the three-dimensional distribution of atmospheric H 2 O for synchronously rotating Earth-sized aquaplanets using the general circulation model (GCM) ROCKE-3D, and examine the effects of total incident flux and stellar spectral type. We observe a more gentle increase of the water vapor mixing ratio in response to increased incident flux than one-dimensional models suggest, in qualitative agreement with the climate-stabilizing effect of clouds around the substellar point previously observed in GCMs applied to synchronously rotating planets. However, the water vapor mixing ratio in the upper atmosphere starts to increase while the surface temperature is still moderate. This is explained by the circulation in the upper atmosphere being driven by the radiative heating due to absorption by water vapor and cloud particles, causing efficient vertical transport of water vapor. Consistently, the water vapor mixing ratio is found to be well-correlated with the near-infrared portion of the incident flux. We also simulate transmission spectra based on the GCM outputs, and show that for the more highly irradiated planets, the H 2 O signatures may be strengthened by a factor of a few, loosening the observational demands for a H 2 O detection.

Beta spectra. II-Positron spectra

International Nuclear Information System (INIS)

Grau, A.; Garcia-Torano, E.

1981-01-01

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

Control of the dielectric microrods rotation in liquid by alternating current electric field

Science.gov (United States)

Ren, Yukun; Li, Bin; Jiang, Hongyuan

2014-05-01

Microfluidics is a promising system for the manipulation of micro-nano particles and fluids. In this platform, alternating current (AC) electric field is usual an effective tool for the general particles control. However, traditional work paid more attention on the regular spherical particles with no obvious distinction when rotating, resulting in imprecise rotation speed calculation. In essence, non-spherical especially biocompatible particles are not only important for biology application but also significant for obtaining accurate rotating results. Hence, in this paper, SU-8, one of the most biocompatible materials was selected as the manipulation object. AC electric field is employed to rotate SU-8 microrods, in order to obtain a controllable rotation angle for both the accurate experimental results and biosensor applications. Firstly, Clausius-Mossotti(CM) factors frequency spectra with different surface conductance and medium conductivities are presented, thereby the theoretical formula is carried out, including both the torque and rotation velocity expressions of SU-8 microrods. Moreover, simulations for the electric field distribution are developed, indicating the rotating direction. Secondly, the quadrupole electrodes are used to generate rotating electric field, and the electrorotation of SU-8 microrods in different medium is carried out, showing that the particles rotate in the opposite direction of the electric field, meanwhile, the peak frequency increases with the conductivity increases. Finally, the experimental results are discussed and compared with theoretical analysis, and the comparison result shows that they have a good agreement. This work proposes an effective and controllable method to rotate microrods, showing extend application potentials in microelectronics and biosensors.

Probing the Large Faraday Rotation Measure Environment of Compact Active Galactic Nuclei

Directory of Open Access Journals (Sweden)

Alice Pasetto

2018-03-01

Full Text Available Knowing how the ambient medium in the vicinity of active galactic nuclei (AGNs is shaped is crucial to understanding generally the evolution of such cosmic giants as well as AGN jet formation and launching. Thanks to the new broadband capability now available at the Jansky Very Large Array (JVLA, we can study changes in polarization properties, fractional polarization, and polarization angles, together with the total intensity spectra of a sample of 14 AGNs, within a frequency range from 1 to 12 GHz. Depolarization modeling has been performed by means of so-called “qu-fitting” to the polarized data, and a synchrotron self absorption model has been used for fitting to the total intensity data. We found complex behavior both in the polarization spectra and in the total intensity spectra, and several Faraday components with a large rotation measure (RM and several synchrotron components were needed to represent these spectra. Here, results for three targets are shown. This new method of analyzing broadband polarization data through qu-fitting successfully maps the complex surroundings of unresolved objects.

BETA SPECTRA. I. Negatrons spectra

International Nuclear Information System (INIS)

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

1978-01-01

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

Spin current pumped by a rotating magnetic field in zigzag graphene nanoribbons

International Nuclear Information System (INIS)

Wang, J; Chan, K S

2010-01-01

We study electron spin resonance in zigzag graphene nanoribbons by applying a rotating magnetic field on the system without any bias. By using the nonequilibrium Green's function technique, the spin-resolved pumped current is explicitly derived in a rotating reference frame. The pumped spin current density increases with the system size and the intensity of the transverse rotating magnetic field. For graphene nanoribbons with an even number of zigzag chains, there is a nonzero pumped charge current in addition to the pumped spin current owing to the broken spatial inversion symmetry of the system, but its magnitude is much smaller than the spin current. The short-ranged static disorder from either impurities or defects in the ribbon can depress the spin current greatly due to the localization effect, whereas the long-ranged disorder from charge impurities can avoid inter-valley scattering so that the spin current can survive in the strong disorder for the single-energy mode.

Effects of lens motion and uneven magnification on image spectra

Science.gov (United States)

Banik, Indranil; Zhao, Hongsheng

2015-07-01

Counter to intuition, the images of an extended galaxy lensed by a moving galaxy cluster should have slightly different spectra in any metric gravity theory. This is mainly for two reasons. One relies on the gravitational potential of a moving lens being time dependent (the moving cluster effect, MCE). The other is due to uneven magnification across the extended, rotating source (the differential magnification effect, DME). The time delay between the images can also cause their redshifts to differ because of cosmological expansion. This differential expansion effect is likely to be small. Using a simple model, we derive these effects from first principles. One application would be to the Bullet Cluster, whose large tangential velocity may be inconsistent with the Λ cold dark matter paradigm. This velocity can be estimated with complicated hydrodynamic models. Uncertainties with such models can be avoided using the MCE. We argue that the MCE should be observable with Atacama Large Millimetre Array. However, such measurements can be corrupted by the DME if typical spiral galaxies are used as sources. Fortunately, we find that if detailed spectral line profiles were available, then the DME and MCE could be distinguished. It might also be feasible to calculate how much the DME should affect the mean redshift of each image. Resolved observations of the source would be required to do this accurately. The DME is of order the source angular size divided by the Einstein radius times the redshift variation across the source. Thus, it mostly affects nearly edge-on spiral galaxies in certain orientations. This suggests that observers should reduce the DME by careful choice of target, a possibility we discuss in some detail.

Rotation and chromospheric emission among F, G, and K dwarfs of the Pleiades

Science.gov (United States)

Soderblom, David R.; Stauffer, John R.; Hudon, J. D.; Jones, Burton F.

1993-01-01

High-resolution echelle spectra of more than 100 F, G, and K dwarfs in the Pleiades are reported. Chromospheric activity in these stars is measured via comparisons of the profiles of H-alpha and the Ca II IR triplet to chromospherically inactive field stars. Consistent dereddened colors are determined from the available photometry and temperatures are derived. Most G and K dwarfs in the Pleiades rotate slowly, but about 20 percent of the stars are ultrafast rotators (UFRs). That fraction of UFRs is independent of color, and the highest rotation rates are found among the K dwarfs. The Pleiades exhibit a broad range in the strength of chromospheric emission at any one color. Most G and K dwarfs in the Pleiades show H-alpha and the IR triple in absorption, with filling in of the line cores.

Rotational stabilization of q < 1 modes

International Nuclear Information System (INIS)

Waelbroeck, F.L.; Aydemir, A.Y.

1996-01-01

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

Rotational structure of odd-proton {sup 103,105,107,109,111}Tc isotopes

Energy Technology Data Exchange (ETDEWEB)

Kumar, Amit [University of Jammu, Department of Physics and Electronics, Jammu (India); Government of J and K, Department of Higher Education, Jammu (India); Singh, Dhanvir; Bharti, Arun [University of Jammu, Department of Physics and Electronics, Jammu (India); Singh, Suram; Bhat, G.H. [Government of J and K, Department of Higher Education, Jammu (India); Sheikh, J.A. [University of Kashmir, Department of Physics, Srinagar (India)

2017-10-15

A systematic study of the yrast band structure for the neutron-rich odd-mass {sup 103-111}Tc nuclei is carried out using Projected Shell Model. The rotational band structure has been studied up to a maximum spin of 59/2{sup +}. Excellent agreement with available experimental data for all isotopes is obtained. The energy spectra and electromagnetic transition strengths in terms of the configuration mixing of the angular-momentum projected multi-quasiparticle states are studied in detail. Signature splitting in the yrast rotational band is well described in the perspective of nuclear structure physics. The back-bending phenomenon is also well described for these nuclei in the present work. (orig.)

CH{sub 3} and CD{sub 3} radicals isolated in argon: high resolution ESR spectra and analysis by three-dimensional quantum rotor model. A case study of low temperature quantum effects on radicals

Energy Technology Data Exchange (ETDEWEB)

Shiotani, Masaru; Yamada, Tomoya; Komaguchi, Kenji [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Engineering; Benetis, N.P.; Lund, A.; Soernes, A.R.

1998-10-01

The present study deals with high resolution isotropic ESR spectra of the CH{sub 3} and CD{sub 3} radicals isolated in solid argon matrix at low temperature from 4 K to 40 K. Argon gases mixed with methane (Ar/methane {approx_equal} 500 mole ratio) were condensed at the end of Suprasile ESR tube at 4.2 K. Methyl radicals were generated by X-ray irradiation at 4 K and subjected to an ESR study. The 6.0 K ESR spectrum of the CH{sub 4}/Ar system is shown in Fig. 1. For CH{sub 3} radical the {sup 1}H hyperfine (hf) quartet was observed with an equal intensity (A-lines). The E-lines were absent at 4 K, but became visible at m{sub F} = {+-}1/2 positions above 12 K increased with temperature. The CD{sub 3} gave a peculiar spectrum at 4 K with an abnormally strong central singlet superimposed on a much weaker seven line spectrum of a freely rotating CD{sub 3}. The temperature dependent spectra showed clear quantum effects due to three-dimensional spin-rotation couplings. The spectra were analyzed with the following assumptions: (a) a planar D{sub 3} geometry, (b) a free and three-dimensional quantum rotation and (c) a thermally isolated radical. Application of the Pauli principle in combination to the D{sub 3} point group resulted in interesting selections for ESR-transitions for both the CH{sub 3} and CD{sub 3} spectra. That is, the {sup 1}H hf quartet of CH{sub 3} radical (A-lines) was attributed to the rotational ground state, J=0, with totally symmetric A{sub 1} nuclear states. The central strong singlet of CD{sub 3} was attributed to one spin-rotation state with A{sub 2} antisymmetric nuclear states at the lowest rotational level of J=0. (author)

Optimization of deconvolution software used in the study of spectra of soil samples from Madagascar

International Nuclear Information System (INIS)

ANDRIAMADY NARIMANANA, S.F.

2005-01-01

The aim of this work is to perform the deconvolution of gamma spectra by using the deconvolution peak program. Synthetic spectra, reference materials and ten soil samples with various U-238 activities from three regions of Madagascar were used. This work concerns : soil sample spectra with low activities of about (47±2) Bq.kg -1 from Ankatso, soil sample spectra with average activities of about (125±2)Bq.kg -1 from Antsirabe and soil sample spectra with high activities of about (21100± 120) Bq.kg -1 from Vinaninkarena. Singlet and multiplet peaks with various intensities were found in each soil spectrum. Interactive Peak Fit (IPF) program in Genie-PC from Canberra Industries allows to deconvoluate many multiplet regions : quartet within 235 keV-242 keV, Pb-214 and Pb-212 within 294 keV -301 keV; Th-232 daughters within 582 keV - 584 keV; Ac-228 within 904 keV -911 keV and within 964 keV-970 keV and Bi-214 within 1401 keV - 1408 keV. Those peaks were used to quantify considered radionuclides. However, IPF cannot resolve Ra-226 peak at 186,1 keV. [fr

Dynamics of hot spots in the DPF-78 plasma focus from x-ray spectra and REB emission

International Nuclear Information System (INIS)

Schmidt, H.; Wang, X.X.

1995-01-01

The X-ray emission from hot spots in the plasma focus DPF-78 was investigated with the help of two X-ray quartz crystal spectrometers of the Johann type and a 4 fold magnifying X-ray pinhole camera. In the experiments the working gas was chosen to be 300 Pa deuterium with 20 Pa argon admixture. X-ray spectra in the wavelength range from 3.55 angstrom to 4.0 angstrom, including H-like and He-like Argon lines, were recorded on Kodak DEF-2 film. From the spatially resolved spectra recorded side-on, a relative spectral shift between different hot spots of the same shot was often observed. The shift could be attributed to the Doppler shift. From spectral characteristics such as intensities and FWHM of Ar resonant and intercombination lines electron densities of up to 3 x 10 27 m -3 were determined. Radial dimensions of the hot spots ranging from about 140 microm to 300 microm were found from pinhole pictures applying the penumbra method. Usually two pulses of relativistic electron beams were observed using Cherenkov detectors in a magnetic spectrometer. The energy of the first pulse, which was emitted at the time of maximum compression, was higher than that of the second pulse. The measured FWHM of the REB pulses ranges from 3 ns to about 10 ns. The characteristics of the time-integrated X-ray spectra and the time resolved REB spectra and their dependence on the composition of the filling gas are discussed

Recurrent star-spot activity and differential rotation in KIC 11560447

Science.gov (United States)

Özavcı, I.; Şenavcı, H. V.; Işık, E.; Hussain, G. A. J.; O'Neal, D.; Yılmaz, M.; Selam, S. O.

2018-03-01

We present a detailed analysis of surface inhomogeneities on the K1-type subgiant component of the rapidly rotating eclipsing binary KIC 11560447, using high-precision Kepler light curves spanning nearly 4 yr, which corresponds to about 2800 orbital revolutions. We determine the system parameters precisely, using high-resolution spectra from the 2.1-m Otto Struve Telescope at the McDonald Observatory. We apply the maximum entropy method to reconstruct the relative longitudinal spot occupancy. Our numerical tests show that the procedure can recover large-scale random distributions of individually unresolved spots, and it can track the phase migration of up to three major spot clusters. By determining the drift rates of various spotted regions in orbital longitude, we suggest a way to constrain surface differential rotation and we show that the results are consistent with periodograms. The K1IV star exhibits two mildly preferred longitudes of emergence, indications of solar-like differential rotation, and a 0.5-1.3-yr recurrence period in star-spot emergence, accompanied by a secular increase in the axisymmetric component of spot occupancy.

Rotated domain network in graphene on cubic-SiC(001)

International Nuclear Information System (INIS)

Chaika, Alexander N; Aristov, Victor Y; Molodtsova, Olga V; Zakharov, Alexei A; Marchenko, Dmitry; Sánchez-Barriga, Jaime; Varykhalov, Andrei; Babenkov, Sergey V; Portail, Marc; Zielinski, Marcin; Murphy, Barry E; Krasnikov, Sergey A; Lübben, Olaf; Shvets, Igor V

2014-01-01

The atomic structure of the cubic-SiC(001) surface during ultra-high vacuum graphene synthesis has been studied using scanning tunneling microscopy (STM) and low-energy electron diffraction. Atomically resolved STM studies prove the synthesis of a uniform, millimeter-scale graphene overlayer consisting of nanodomains rotated by ±13.5° relative to the 〈110〉-directed boundaries. The preferential directions of the domain boundaries coincide with the directions of carbon atomic chains on the SiC(001)-c(2 × 2) reconstruction, fabricated prior to graphene synthesis. The presented data show the correlation between the atomic structures of the SiC(001)-c(2 × 2) surface and the graphene/SiC(001) rotated domain network and pave the way for optimizing large-area graphene synthesis on low-cost cubic-SiC(001)/Si(001) wafers. (paper)

Unsteady flow simulations of Pelton turbine at different rotational speeds

Directory of Open Access Journals (Sweden)

Minsuk Choi

2015-11-01

Full Text Available This article presents numerical simulations of a small Pelton turbine suitable for desalination system. A commercial flow solver was adopted to resolve difficulties in the numerical simulation for Pelton turbine such as the relative motion of the turbine runner to the injector and two-phase flow of water and air. To decrease the numerical diffusion of the water jet, a new topology with only hexagonal mesh was suggested for the computational mesh around the complex geometry of a bucket. The predicted flow coefficient, net head coefficient, and overall efficiency showed a good agreement with the experimental data. Based on the validation of the numerical results, the pattern of wet area on the bucket inner surface has been analyzed at different rotational speeds, and an attempt to find the connection between rotational speeds, torque, and efficiency has been made.

Rotational Coherence Encoded in an “Air-Laser” Spectrum of Nitrogen Molecular Ions in an Intense Laser Field

Directory of Open Access Journals (Sweden)

Haisu Zhang

2013-10-01

Full Text Available We investigate lasing action in aligned nitrogen molecular ions (N_{2}^{+} produced in an intense laser field. We find that, besides the population inversion between the B^{2}Σ_{u}^{+}-X^{2}Σ_{g}^{+} states, which is responsible for the observed simulated amplification of a seed pulse, a rotational wave packet in the ground vibrational state (v=0 of the excited electronic B^{2}Σ_{u}^{+} state has been created in N_{2}^{+}. The rotational coherence can faithfully encode its characteristics into the amplified seed pulses, enabling reconstruction of rotational wave packets of molecules in a single-shot detection manner from the frequency-resolved laser spectrum. Our results suggest that the air laser can potentially provide a promising tool for remote characterization of coherent molecular rotational wave packets.

Effect of the cosmological constant on the deflection angle by a rotating cosmic string

Science.gov (United States)

Jusufi, Kimet; Övgün, Ali

2018-03-01

We report the effect of the cosmological constant and the internal energy density of a cosmic string on the deflection angle of light in the spacetime of a rotating cosmic string with internal structure. We first revisit the deflection angle by a rotating cosmic string and then provide a generalization using the geodesic equations and the Gauss-Bonnet theorem. We show there is an agreement between the two methods when employing higher-order terms of the linear mass density of the cosmic string. By modifying the integration domain for the global conical topology, we resolve the inconsistency between these two methods previously reported in the literature. We show that the deflection angle is not affected by the rotation of the cosmic string; however, the cosmological constant Λ strongly affects the deflection angle, which generalizes the well-known result.

Nonclassical dynamics of the methyl group in 1,1,1-triphenylethane. Evidence from powder 1H NMR spectra

KAUST Repository

Osior, Agnieszka

2017-03-14

According to the damped quantum rotation (DQR) theory, hindered rotation of methyl groups, evidenced in nuclear magnetic resonance (NMR) line shapes, is a nonclassical process. It comprises a number of quantum-rate processes measured by two different quantum-rate constants. The classical jump model employing only one rate constant is reproduced if these quantum constants happen to be equal. The values of their ratio, or the nonclassicallity coefficient, determined hitherto from NMR spectra of single crystals and solutions range from about 1.20 to 1.30 in the latter case to above 5.0 in the former, with the value of 1 corresponding to the jump model. Presently, first systematic investigations of the DQR effects in wide-line NMR spectra of a powder sample are reported. For 1,1,1-triphenylethane deuterated in the aromatic positions, the relevant line-shape effects were monitored in the range 99–121 K. The values of the nonclassicality coefficient dropping from 2.7 to 1.7 were evaluated in line shape fits to the experimental powder spectra from the range 99–108 K. At these temperatures, the fits with the conventional line-shape model are visibly inferior to the DQR fits. Using a theoretical model reported earlier, a semiquantitative interpretation of the DQR parameters evaluated from the spectra is given. It is shown that the DQR effects as such can be detected in wide-line NMR spectra of powdered samples, which are relatively facile to measure. However, a fully quantitative picture of these effects can only be obtained from the much more demanding experiments on single crystals.

Infrared dispersion analysis and Raman scattering spectra of taurine single crystals

Science.gov (United States)

Moreira, Roberto L.; Lobo, Ricardo P. S. M.; Dias, Anderson

2018-01-01

A comprehensive set of optical vibrational modes of monoclinic taurine crystals was determined by Raman scattering, and infrared reflectivity and transmission spectroscopies. By using appropriate scattering/reflection geometries, the vibrational modes were resolved by polarization and the most relevant modes of the crystal could be assigned. In particular, we were able to review the symmetry of the gerade modes and to resolve ambiguities in the literature. Owing to the non-orthogonal character of Bu modes in monoclinic crystals (lying on the optic axial plane), we carried out a generalized Lorentz dispersion analysis consisting of simultaneous adjust of infrared-reflectivity spectra at various light polarization angles. The Au modes (parallel to the C2-axis) were treated within the classical Lorentz model. The behavior of off-diagonal and diagonal terms of the complex dielectric tensors and the presence of anomalous dispersion were discussed as consequences of the low symmetry of the crystal.

Generation of pulsed far-infrared radiation and its application for far-infrared time-resolved spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kondo, Yasuhiro [Tohoku Univ., Sendai (Japan). Faculty of Engineering

1996-07-01

So-called time-resolved spectroscopy technique has been used from old time as the means for studying the dynamic optical property, light-induced reaction and so on of matters. As an example, there is the method called pump and probe, and here, the wavelength of this probe light is the problem. If the object energy region is limited to about 0.1 eV, fast time-resolved spectroscopy is feasible relatively easily. However, energy region is extended to low energy region, the light source which is available as the pulsed probe light having sufficient intensity is limited. In this paper, the attempt of time-resolved spectroscopy utilizing coherent radiation, which has ended in failure, and the laser pulse-induced far-infrared radiation which can be utilized as new far-infrared probe light are reported. The reason why far-infrared radiation is used is explained. The attempt of time-resolved spectroscopy using NaCl crystals is reported on the equipment, the method of measuring absorption spectra and the results. Laser pulse-induced far-infrared radiation and the method of generating it are described. The multi-channel detector for far-infrared radiation which was made for trial is shown. (K.I.)

Rotator cuff tendon connections with the rotator cable.

Science.gov (United States)

Rahu, Madis; Kolts, Ivo; Põldoja, Elle; Kask, Kristo

2017-07-01

The literature currently contains no descriptions of the rotator cuff tendons, which also describes in relation to the presence and characteristics of the rotator cable (anatomically known as the ligamentum semicirculare humeri). The aim of the current study was to elucidate the detailed anatomy of the rotator cuff tendons in association with the rotator cable. Anatomic dissection was performed on 21 fresh-frozen shoulder specimens with an average age of 68 years. The rotator cuff tendons were dissected from each other and from the glenohumeral joint capsule, and the superior glenohumeral, coracohumeral, coracoglenoidal and semicircular (rotator cable) ligaments were dissected. Dissection was performed layer by layer and from the bursal side to the joint. All ligaments and tendons were dissected in fine detail. The rotator cable was found in all specimens. It was tightly connected to the supraspinatus (SSP) tendon, which was partly covered by the infraspinatus (ISP) tendon. The posterior insertion area of the rotator cable was located in the region between the middle and inferior facets of the greater tubercle of the humerus insertion areas for the teres minor (TM), and ISP tendons were also present and fibres from the SSP extended through the rotator cable to those areas. The connection between the rotator cable and rotator cuff tendons is tight and confirms the suspension bridge theory for rotator cuff tears in most areas between the SSP tendons and rotator cable. In its posterior insertion area, the rotator cable is a connecting structure between the TM, ISP and SSP tendons. These findings might explain why some patients with relatively large rotator cuff tears can maintain seamless shoulder function.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

Energy Technology Data Exchange (ETDEWEB)

Yu, Hua-Gen, E-mail: hgy@bnl.gov [Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

2016-08-28

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.

Analysis of time- and space-resolved Na-, Ne-, and F-like emission from a laser-produced bromine plasma

International Nuclear Information System (INIS)

Goldstein, W.H.; Young, B.K.F.; Osterheld, A.L.; Stewart, R.E.; Walling, R.S.; Bar-Shalom, A.

1991-01-01

Advances in the efficiency and accuracy of computational atomic physics and collisional radiative modeling promise to place the analysis and diagnostic application of L-shell emission on a par with the simpler K-shell regime. Coincident improvements in spectroscopic plasma measurements yield optically thin emission spectra from small, homogeneous regions of plasma, localized both in space and time. Together, these developments can severely test models for high-density, high-temperature plasma formation and evolution, and non-LTE atomic kinetics. In this paper we present highly resolved measurements of n=3 to n=2 X-ray line emission from a laser-produced bromine micro plasma. The emission is both space- and time-resolved, allowing us to apply simple, steady-state, 0-dimensional spectroscopic models to the analysis. These relativistic, multi-configurational, distorted wave collisional-radiative models were created using the HULLAC atomic physics package. Using these models, we have analyzed the F-like, Ne-like and Na-like (satellite) spectra with respect to temperature, density and charge-state distribution. This procedure leads to a full characterization of the plasma conditions. 9 refs., 3 figs

A QUANTUM BAND MODEL OF THE ν3 FUNDAMENTAL OF METHANOL (CH3OH) AND ITS APPLICATION TO FLUORESCENCE SPECTRA OF COMETS

International Nuclear Information System (INIS)

Villanueva, G. L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

2012-01-01

Methanol (CH 3 OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the ν 3 fundamental band of methanol at 2844 cm –1 (3.52 μm) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K. We validated the model by comparing simulations of CH 3 OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the ν 3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths.

A Quantum Band Model of the nu3 Fundamental of Methanol (CH3OH) and Its Application to Fluorcescence Spectra of Comets

Science.gov (United States)

Villanueva, Geronimo L.; DiSanti, M. A.; Mumma, M. J.; Xu, L.-H.

2012-01-01

Methanol (CH3OH) radiates efficiently at infrared wavelengths, dominating the C-H stretching region in comets, yet inadequate quantum-mechanical models have imposed limits on the practical use of its emission spectra. Accordingly, we constructed a new line-by-line model for the 3 fundamental band of methanol at 2844 / cm (3.52 micron) and applied it to interpret cometary fluorescence spectra. The new model permits accurate synthesis of line-by-line spectra for a wide range of rotational temperatures, ranging from 10 K to more than 400 K.We validated the model by comparing simulations of CH3OH fluorescent emission with measured spectra of three comets (C/2001 A2 LINEAR, C/2004 Q2 Machholz and 8P/Tuttle) acquired with high-resolution infrared spectrometers at high-altitude sites. The new model accurately describes the complex emission spectrum of the nu3 band, providing distinct rotational temperatures and production rates at greatly improved confidence levels compared with results derived from earlier fluorescence models. The new model reconciles production rates measured at infrared and radio wavelengths in C/2001 A2 (LINEAR). Methanol can now be quantified with unprecedented precision and accuracy in astrophysical sources through high-dispersion spectroscopy at infrared wavelengths

The Hα Emission of Nearby M Dwarfs and its Relation to Stellar Rotation

Science.gov (United States)

Newton, Elisabeth R.; Irwin, Jonathan; Charbonneau, David; Berlind, Perry; Calkins, Michael L.; Mink, Jessica

2017-01-01

The high-energy emission from low-mass stars is mediated by the magnetic dynamo. Although the mechanisms by which fully convective stars generate large-scale magnetic fields are not well understood, it is clear that, as for solar-type stars, stellar rotation plays a pivotal role. We present 270 new optical spectra of low-mass stars in the Solar Neighborhood. Combining our observations with those from the literature, our sample comprises 2202 measurements or non-detections of Hα emission in nearby M dwarfs. This includes 466 with photometric rotation periods. Stars with masses between 0.1 and 0.6 M⊙ are well-represented in our sample, with fast and slow rotators of all 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. The well-defined active/inactive boundary indicates that Hα activity is a useful diagnostic for stellar rotation period, e.g., for target selection for exoplanet surveys, and we present a mass-period relation for inactive M dwarfs. We also find a significant, moderate correlation between LHα/Lbol and variability amplitude: more active stars display higher levels of photometric variability. Consistent with previous work, our data show that rapid rotators maintain a saturated value of LHα/Lbol. Our data also show a clear power-law decay in LHα/Lbol with Rossby number for slow rotators, with an index of -1.7 ± 0.1.

Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.

Science.gov (United States)

Bednarska, Joanna; Zaleśny, Robert; Bartkowiak, Wojciech; Ośmiałowski, Borys; Medved', Miroslav; Jacquemin, Denis

2017-09-12

This article aims at a quantitative assessment of the performances of a panel of exchange-correlation functionals, including semilocal (BLYP and PBE), global hybrids (B3LYP, PBE0, M06, BHandHLYP, M06-2X, and M06-HF), and range-separated hybrids (CAM-B3LYP, LC-ωPBE, LC-BLYP, ωB97X, and ωB97X-D), in predicting the vibrationally resolved absorption spectra of BF 2 -carrying compounds. To this end, for 19 difluoroborates as examples, we use, as a metric, the vibrational reorganization energy (λ vib ) that can be determined based on the computationally efficient linear coupling model (a.k.a. vertical gradient method). The reference values of λ vib were determined by employing the CC2 method combined with the cc-pVTZ basis set for a representative subset of molecules. To validate the performances of CC2, comparisons with experimental data have been carried out as well. This study shows that the vibrational reorganization energy, involving Huang-Rhys factors and normal-mode frequencies, can indeed be used to quantify the reliability of functionals in the calculations of the vibrational fine structure of absorption bands, i.e., an accurate prediction of the vibrational reorganization energy leads to absorption band shapes better fitting the selected reference. The CAM-B3LYP, M06-2X, ωB97X-D, ωB97X, and BHandHLYP functionals all deliver vibrational reorganization energies with absolute relative errors smaller than 20% compared to CC2, whereas 10% accuracy can be achieved with the first three functionals. Indeed, the set of examined exchange-correlation functionals can be divided into three groups: (i) BLYP, B3LYP, PBE, PBE0, and M06 yield inaccurate band shapes (λ vib,TDDFT poor band topologies (λ vib,TDDFT > λ vib,CC2 ). This study also demonstrates that λ vib can be reliably estimated using the CC2 model and the relatively small cc-pVDZ basis set. Therefore, the linear coupling model combined with the CC2/cc-pVDZ level of theory can be used as a very efficient

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas.

Science.gov (United States)

Liu, Lei; Deng, Leimin; Fan, Lisha; Huang, Xi; Lu, Yao; Shen, Xiaokang; Jiang, Lan; Silvain, Jean-François; Lu, Yongfeng

2017-10-30

Identification of chemical intermediates and study of chemical reaction pathways and mechanisms in laser-induced plasmas are important for laser-ablated applications. Laser-induced breakdown spectroscopy (LIBS), as a promising spectroscopic technique, is efficient for elemental analyses but can only provide limited information about chemical products in laser-induced plasmas. In this work, time-resolved resonance fluorescence spectroscopy was studied as a promising tool for the study of chemical reactions in laser-induced plasmas. Resonance fluorescence excitation of diatomic aluminum monoxide (AlO) and triatomic dialuminum monoxide (Al 2 O) was used to identify these chemical intermediates. Time-resolved fluorescence spectra of AlO and Al 2 O were used to observe the temporal evolution in laser-induced Al plasmas and to study their formation in the Al-O 2 chemistry in air.

An Improved Calibration Method for a Rotating 2D LIDAR System.

Science.gov (United States)

Zeng, Yadan; Yu, Heng; Dai, Houde; Song, Shuang; Lin, Mingqiang; Sun, Bo; Jiang, Wei; Meng, Max Q-H

2018-02-07

This paper presents an improved calibration method of a rotating two-dimensional light detection and ranging (R2D-LIDAR) system, which can obtain the 3D scanning map of the surroundings. The proposed R2D-LIDAR system, composed of a 2D LIDAR and a rotating unit, is pervasively used in the field of robotics owing to its low cost and dense scanning data. Nevertheless, the R2D-LIDAR system must be calibrated before building the geometric model because there are assembled deviation and abrasion between the 2D LIDAR and the rotating unit. Hence, the calibration procedures should contain both the adjustment between the two devices and the bias of 2D LIDAR itself. The main purpose of this work is to resolve the 2D LIDAR bias issue with a flat plane based on the Levenberg-Marquardt (LM) algorithm. Experimental results for the calibration of the R2D-LIDAR system prove the reliability of this strategy to accurately estimate sensor offsets with the error range from -15 mm to 15 mm for the performance of capturing scans.

Optical frequency comb Faraday rotation spectroscopy

Science.gov (United States)

Johansson, Alexandra C.; Westberg, Jonas; Wysocki, Gerard; Foltynowicz, Aleksandra

2018-05-01

We demonstrate optical frequency comb Faraday rotation spectroscopy (OFC-FRS) for broadband interference-free detection of paramagnetic species. The system is based on a femtosecond doubly resonant optical parametric oscillator and a fast-scanning Fourier transform spectrometer (FTS). The sample is placed in a DC magnetic field parallel to the light propagation. Efficient background suppression is implemented via switching the direction of the field on consecutive FTS scans and subtracting the consecutive spectra, which enables long-term averaging. In this first demonstration, we measure the entire Q- and R-branches of the fundamental band of nitric oxide in the 5.2-5.4 µm range and achieve good agreement with a theoretical model.

The earthshine s spectra

Science.gov (United States)

Montanes Rodriguez, P.; Palle, E.; Goode, P.; Koonin, S.; Hickey, J.; Qiu, J.; Yurchysyn, V.

The Earthshine project, was run by California Institute of Technology (Caltech) between 1993 and 1995. Since 1998, it has been a collaborative effort between Caltech and Big Bear Solar Observatory (BBSO)/New Jersey Institute of Technology (NJIT). Our primary goal is the precise determination of a global and absolutely calibrated Earth's albedo and its synoptic, seasonal, and annual variability; as well as the measurement and investigation of the resolved reflected spectrum of the integrated Earth in the infrared region. The absorption in the infrared region, mainly due to rotational and vibrational transitions of the molecules, show the absorption bands of various telluric and solar components allowing the analysis of the Earth's spectrum such as it would be observed from the outer space. In this paper we present preliminary results of spectroscopic observations, made at Palomar Observatory with the 60-inch telescope's echelle spectrograph. They targeted the visible and near infrared region of the electromagnetic spectrum, and were performed in the spectral range (typically terrestrial molecular bands. The fourth line, H, is a solar line, used mainly for spectral calibration.

Correlations between the geomagnetic field variations, the fluctuations of the earth`s rotation and climate change

Energy Technology Data Exchange (ETDEWEB)

Greiner-Mai, H; Jochmann, H

1995-03-01

The amplitude spectra of global geophysical phenomena were investigated to motivate research of physical connections between them. The suggested causality was derived from comparison of the spectra, and from cross correlation functions. The following global parameters were discussed: For the earth rotation by the variations of the length of day, for the geomagnetic variation by the global field intensity, changes of the dipole axis and the westward drift, and for climate change by the atmospheric excitation function derived from air pressure variations, and temperature variations. The model of atmospheric excitation, which can be proved most exactly for the annual variations of length of day, is responsible for the 11 and 22 years periods, too. It failed for longer periods, e.g. partially for the 30 years periods and completely for the 60 to 80 years periods, which were also discovered in the mean temperature and geomagnetic field variations. Therefore, it was suggested that longer periods in climate change and in the variations of the earth`s rotation are caused independently by the same process in the earth core, provided that a physical influence of the geomagnetic field on climate will be accepted in future. The investigation was completed by comparison with the spectra of some local temperature variations in Europe. (orig.)

Characterizing Sky Spectra Using SDSS BOSS Data

Science.gov (United States)

Florez, Lina Maria; Strauss, Michael A.

2018-01-01

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

Thermally activated delayed fluorescence of fluorescein derivative for time-resolved and confocal fluorescence imaging.

Science.gov (United States)

Xiong, Xiaoqing; Song, Fengling; Wang, Jingyun; Zhang, Yukang; Xue, Yingying; Sun, Liangliang; Jiang, Na; Gao, Pan; Tian, Lu; Peng, Xiaojun

2014-07-09

Compared with fluorescence imaging utilizing fluorophores whose lifetimes are in the order of nanoseconds, time-resolved fluorescence microscopy has more advantages in monitoring target fluorescence. In this work, compound DCF-MPYM, which is based on a fluorescein derivative, showed long-lived luminescence (22.11 μs in deaerated ethanol) and was used in time-resolved fluorescence imaging in living cells. Both nanosecond time-resolved transient difference absorption spectra and time-correlated single-photon counting (TCSPC) were employed to explain the long lifetime of the compound, which is rare in pure organic fluorophores without rare earth metals and heavy atoms. A mechanism of thermally activated delayed fluorescence (TADF) that considers the long wavelength fluorescence, large Stokes shift, and long-lived triplet state of DCF-MPYM was proposed. The energy gap (ΔEST) of DCF-MPYM between the singlet and triplet state was determined to be 28.36 meV by the decay rate of DF as a function of temperature. The ΔE(ST) was small enough to allow efficient intersystem crossing (ISC) and reverse ISC, leading to efficient TADF at room temperature. The straightforward synthesis of DCF-MPYM and wide availability of its starting materials contribute to the excellent potential of the compound to replace luminescent lanthanide complexes in future time-resolved imaging technologies.

Quantitative interpretations of Visible-NIR reflectance spectra of blood.

Science.gov (United States)

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

2008-10-27

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

Automated Peak Picking and Peak Integration in Macromolecular NMR Spectra Using AUTOPSY

Science.gov (United States)

Koradi, Reto; Billeter, Martin; Engeli, Max; Güntert, Peter; Wüthrich, Kurt

1998-12-01

A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automatedpeak picking for NMRspectroscopy). The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of lineshapes extracted from well-separated peaks for resolving groups of strongly overlapping peaks. The algorithm generates peak lists with precise chemical shift and integral intensities, and a reliability measure for the recognition of each peak. The results of automated peak picking of NOESY spectra with AUTOPSY were tested in combination with the combined automated NOESY cross peak assignment and structure calculation routine NOAH implemented in the program DYANA. The quality of the resulting structures was found to be comparable with those from corresponding data obtained with manual peak picking.

Photographs of quantized vortex lines in rotating superfluid helium

International Nuclear Information System (INIS)

Williams, G.A.

1974-01-01

The spatial positions of quantized vortex lines in rotating He II have been determined using a photographic technique. Electrons are trapped on the vortices and then extracted through the liquid surface and accelerated into a phosphor screen. The light from the phosphor is transmitted to room temperature with coherent fiber optics and photographed with an image intensifier camera. Photographs taken with pure 4 He at T = 0.3 K were complete blurs. These blurs are attributed to nonequilibrium motion of the vortices, arising from the lack of normal fluid damping at this temperature. To resolve the individual vortex lines it was found necessary to add 3 He to the 4 He sample to damp the vortex motion. Photographs are presented for 3 He concentrations up to 1.6 percent. The number of vortices visible varies linearly with rotation speed, but is only about one-half the number expected from theory. The vortex lines in the apparatus were not observed to form a stable array

Rotatable spin-polarized electron source for inverse-photoemission experiments

International Nuclear Information System (INIS)

Stolwijk, S. D.; Wortelen, H.; Schmidt, A. B.; Donath, M.

2014-01-01

We present a ROtatable Spin-polarized Electron source (ROSE) for the use in spin- and angle-resolved inverse-photoemission (SR-IPE) experiments. A key feature of the ROSE is a variable direction of the transversal electron beam polarization. As a result, the inverse-photoemission experiment becomes sensitive to two orthogonal in-plane polarization directions, and, for nonnormal electron incidence, to the out-of-plane polarization component. We characterize the ROSE and test its performance on the basis of SR-IPE experiments. Measurements on magnetized Ni films on W(110) serve as a reference to demonstrate the variable spin sensitivity. Moreover, investigations of the unoccupied spin-dependent surface electronic structure of Tl/Si(111) highlight the capability to analyze complex phenomena like spin rotations in momentum space. Essentially, the ROSE opens the way to further studies on complex spin-dependent effects in the field of surface magnetism and spin-orbit interaction at surfaces

Time-resolved UV spectroscopy on ammonia excited by a pulsed CO2 laser

International Nuclear Information System (INIS)

Holbach, H.

1980-07-01

This work investigates the excitation of ammonia by a pulsed CO 2 laser, in particular the processes associated with collisions with argon. It was prompted by two previous observations: the previously reported infrared multiphoton dissociation of NH 3 under nearly collisionless conditions, and the ill understood excitation mechanism of apparently nonresonant low vibrational levels in the presence of Ar. Based on recent spectroscopic data, all vibrational-rotational levels were determined which are simultaneously excited by different CO 2 laser lines. Transitions between the 1 + and 2 - vibrational levels were also taken into account. The linewidth in these calculations was dominated by power broadening, which generates a half width at half maximum of 0.36 cm -1 at the typical power density of 10 MW/cm 2 . In order to reproduce published experimental absorption data, it proved necessary to take account all transitions within a distance of 20 cm -1 from the laser line. This fact implies in most cases the simultaneous population of a large number of vibrational-rotational levels. The population of levels by absorption or by subsequent collisional processes was probed by time-resolved absorption measurement of vibrational bands and their rotational envelope in the near UV. Time resolution (5...10) was sufficient to observe rotational relaxation within individual vibrational levels. Characteristic differences were found for the various excitation lines. (orig.) [de

Angle-resolved photoemission in high Tc cuprates from theoretical viewpoints

International Nuclear Information System (INIS)

Tohyama, T.; Maekawa, S.

2000-01-01

The angle-resolved photoemission (ARPES) technique has been developed rapidly over the last decade, accompanied by the improvement of energy and momentum resolutions. This technique has been established as the most powerful tool to investigate the high T c cuprate superconductors. We review recent ARPES data on the cuprates from a theoretical point of view, with emphasis on the systematic evolution of the spectral weight near the momentum (π, 0) from insulator to overdoped systems. The effects of charge stripes on the ARPES spectra are also reviewed. Some recent experimental and theoretical efforts to understand the superconducting state and the pseudogap phenomenon are discussed. (author)

Full conformational landscape of 3-Methoxyphenol revealed by room temperature mm-wave rotational spectroscopy supported by quantum chemical calculations.

Science.gov (United States)

Roucou, Anthony; Fontanari, Daniele; Dhont, Guillaume; Jabri, Atef; Bray, Cédric; Hindle, Francis; Mouret, Gaël; Bocquet, Robin; Cuisset, Arnaud

2018-03-30

Room temperature millimeter-wave rotational spectroscopy supported by high level of theory calculations have been employed to fully characterise the conformational landscape of 3-Methoxyphenol, a semi-volatile polar oxygenated aromatic compound precursor of secondary organic aerosols in the atmosphere arising from biomass combustion. While previous rotationally-resolved spectroscopic studies in the microwave and in the UV domains failed to observe the complete conformational landscape, the 70 - 330 GHz rotational spectrum measured in this study reveals the ground state rotational signatures of the four stable conformations theoretically predicted. Moreover, rotational transitions in the lowest energy vibrationally excited states were assigned for two conformers. While the inertial defect of methoxyphenol does not signicantly change between conformers and isomers, the excitation of the methoxy out-of-plane bending is the main contribution to the non-planarity of the molecule. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

NIR-driven Moist Upper Atmospheres of Synchronously Rotating Temperate Terrestrial Exoplanets

Energy Technology Data Exchange (ETDEWEB)

Fujii, Yuka; Del Genio, Anthony D.; Amundsen, David S. [NASA Goddard Institute for Space Studies, 2880 Broadway, New York, NY (United States)

2017-10-20

H{sub 2}O is a key molecule in characterizing atmospheres of temperate terrestrial planets, and observations of transmission spectra are expected to play a primary role in detecting its signatures in the near future. The detectability of H{sub 2}O absorption features in transmission spectra depends on the abundance of water vapor in the upper part of the atmosphere. We study the three-dimensional distribution of atmospheric H{sub 2}O for synchronously rotating Earth-sized aquaplanets using the general circulation model (GCM) ROCKE-3D, and examine the effects of total incident flux and stellar spectral type. We observe a more gentle increase of the water vapor mixing ratio in response to increased incident flux than one-dimensional models suggest, in qualitative agreement with the climate-stabilizing effect of clouds around the substellar point previously observed in GCMs applied to synchronously rotating planets. However, the water vapor mixing ratio in the upper atmosphere starts to increase while the surface temperature is still moderate. This is explained by the circulation in the upper atmosphere being driven by the radiative heating due to absorption by water vapor and cloud particles, causing efficient vertical transport of water vapor. Consistently, the water vapor mixing ratio is found to be well-correlated with the near-infrared portion of the incident flux. We also simulate transmission spectra based on the GCM outputs, and show that for the more highly irradiated planets, the H{sub 2}O signatures may be strengthened by a factor of a few, loosening the observational demands for a H{sub 2}O detection.

Correlations of the chemical shift on fasly rotating biological solids by means of NMR spectroscopy

International Nuclear Information System (INIS)

Herbst, Christian

2010-01-01

The basic aim of the thesis was the development and improvement of homo- and heteronuclear feedback sequences for the generation of correlation spectra of the chemical shift. In a first step the possibility of the acquisition of 13 C- 13 correlation spectra of the chemical shift by means of inversion pulses with low RF power factor was studied. Furthermore it was shown that broad-band phase-modulated inversion and universal rotational pulses can be constructed by means of global optimization procedures like the genetic algorithms under regardment of the available RF field strength. By inversion, universal rotational, and 360 pulses as starting values of the optimization efficient homonuclear CN n ν and RN n ν mixing sequences as well as heteronuclear RN n ν s ,ν k feedback sequences were generated. The satisfactory power of the numerically optimized sequences was shown by means of the simulation as well by means of correlation experiments of the chemical shift of L-histidine, L-arginine, and the (CUG) 97 -RNA. This thesis deals furthermore with the possibility to acquire simultaneously different signals with several receivers. By means of numerically optimized RN n ν s ,ν k pulse sequences both 15 N- 13 C and 13 C- 15 N correlation spectra were simultaneously generated. Furthermore it could be shown that the simultaneous acquisition of 3D- 15 N- 13 C- 13 C and 13 C- 15 N-( 1 H)- 1 H correlation spectra is possible. By this in only one measurement process resonance assignments can be met and studies of the global folding performed. A further application of several receivers is the simultaneous acquisition of CHHC, NHHN, NHHC, as well as CHHN spectra. By such experiments it is possible to characterize the hydrogen-bonding pattern and the glycosidic torsion angle χ in RNA. This was demonstrated by means of the (CUG) 97 -RNA. The simultaneous acquisition of all relevant crossing signals of the correlation spectra leads not only to an essential time saving, but

Burn-Up Determination by High Resolution Gamma Spectrometry: Spectra from Slightly-Irradiated Uranium and Plutonium between 400-830 keV

International Nuclear Information System (INIS)

Forsyth, R.S.; Ronqvist, N.

1966-08-01

Previously published studies of the short-cooled fission product spectra of irradiated uranium have been severely restricted by the poor energy resolution of the sodium iodide detectors used. In this report are presented fission product spectra of irradiated uranium and plutonium obtained by means of a lithium-drifted germanium detector. The resolved gamma peaks have been assigned to various fission products by correlation of measured energy and half-life values with published data. By simultaneous study of the spectra of two irradiated mixtures of plutonium and uranium, the possibility of using the activities of Ru-103 and Ru-106 as a measure of the relative fission rate in U-235 and Pu-239 has been briefly examined

Burn-Up Determination by High Resolution Gamma Spectrometry: Spectra from Slightly-Irradiated Uranium and Plutonium between 400-830 keV

Energy Technology Data Exchange (ETDEWEB)

Forsyth, R S; Ronqvist, N

1966-08-15

Previously published studies of the short-cooled fission product spectra of irradiated uranium have been severely restricted by the poor energy resolution of the sodium iodide detectors used. In this report are presented fission product spectra of irradiated uranium and plutonium obtained by means of a lithium-drifted germanium detector. The resolved gamma peaks have been assigned to various fission products by correlation of measured energy and half-life values with published data. By simultaneous study of the spectra of two irradiated mixtures of plutonium and uranium, the possibility of using the activities of Ru-103 and Ru-106 as a measure of the relative fission rate in U-235 and Pu-239 has been briefly examined.

Wave-driven Rotation in Supersonically Rotating Mirrors