Low-frequency dielectric spectra of low-resistivity GaSe crystals (in Ukrainian)

NASA Astrophysics Data System (ADS)

Stakhira, J.; Fl'Unt, O.; Fiyala, Ya.

The low-frequency dielectric response of low-resistivity GaSe layered crystal along the c-axis has been investigated at liquid nitrogen temperatures. The normalized spectra (activation energies from frequency shift is 0.19 eV) have been treated analytically employing equivalent circuits. It is shown that experimental data cannot be obtained with the circuit containing only ideal capacitors and resistors. At the same time, the equivalent circuit containing dispersive capacitors characterized by the power law dependence on frequency C^*=B(jω)^{n-1}, where ω is radian frequency, 0< n< 1, gives a good agreement with experimental data. This means that measured response of low-resistivity GaSe crystals follows the ``universal" power law of dielectric response χ^*˜(jω)^{n-1}, but not the Debye one. The nature of the ``universal" power law is explained by many-body interactions between localized charge carriers.

Wetting effect on optical sum frequency generation (SFG) spectra of D-glucose, D-fructose, and sucrose

NASA Astrophysics Data System (ADS)

Hieu, Hoang Chi; Li, Hongyan; Miyauchi, Yoshihiro; Mizutani, Goro; Fujita, Naoko; Nakamura, Yasunori

2015-03-01

We report a sum frequency generation (SFG) spectroscopy study of D-glucose, D-fructose and sucrose in the Csbnd H stretching vibration regime. Wetting effect on the SFG spectra was investigated. The SFG spectrum of D-glucose changed from that of α-D-glucose into those of α-D-glucose monohydrate by wetting. The SFG spectra showed evidence of a small change of β-D-fructopyranose into other anomers by wetting. SFG spectra of sucrose did not change by wetting. Assignments of the vibrational peaks in the SFG spectra of the three sugars in the dry and wet states were performed in the Csbnd H stretching vibration region near 3000 cm-1.

Wetting effect on optical sum frequency generation (SFG) spectra of d-glucose, d-fructose, and sucrose.

PubMed

Hieu, Hoang Chi; Li, Hongyan; Miyauchi, Yoshihiro; Mizutani, Goro; Fujita, Naoko; Nakamura, Yasunori

2015-03-05

We report a sum frequency generation (SFG) spectroscopy study of d-glucose, d-fructose and sucrose in the CH stretching vibration regime. Wetting effect on the SFG spectra was investigated. The SFG spectrum of d-glucose changed from that of α-d-glucose into those of α-d-glucose monohydrate by wetting. The SFG spectra showed evidence of a small change of β-d-fructopyranose into other anomers by wetting. SFG spectra of sucrose did not change by wetting. Assignments of the vibrational peaks in the SFG spectra of the three sugars in the dry and wet states were performed in the CH stretching vibration region near 3000cm(-1). Copyright © 2014 Elsevier B.V. All rights reserved.

Analytic calculations of anharmonic infrared and Raman vibrational spectra

PubMed Central

Louant, Orian; Ruud, Kenneth

2016-01-01

Using a recently developed recursive scheme for the calculation of high-order geometric derivatives of frequency-dependent molecular properties [Ringholm et al., J. Comp. Chem., 2014, 35, 622], we present the first analytic calculations of anharmonic infrared (IR) and Raman spectra including anharmonicity both in the vibrational frequencies and in the IR and Raman intensities. In the case of anharmonic corrections to the Raman intensities, this involves the calculation of fifth-order energy derivatives—that is, the third-order geometric derivatives of the frequency-dependent polarizability. The approach is applicable to both Hartree–Fock and Kohn–Sham density functional theory. Using generalized vibrational perturbation theory to second order, we have calculated the anharmonic infrared and Raman spectra of the non- and partially deuterated isotopomers of nitromethane, where the inclusion of anharmonic effects introduces combination and overtone bands that are observed in the experimental spectra. For the major features of the spectra, the inclusion of anharmonicities in the calculation of the vibrational frequencies is more important than anharmonic effects in the calculated infrared and Raman intensities. Using methanimine as a trial system, we demonstrate that the analytic approach avoids errors in the calculated spectra that may arise if numerical differentiation schemes are used. PMID:26784673

Very low H O H bending frequencies. IV. Fourier transform infrared spectra of synthetic dittmarite

NASA Astrophysics Data System (ADS)

Šoptrajanov, Bojan; Stefov, Viktor; Kuzmanovski, Igor; Jovanovski, Gligor; Lutz, H. Dieter; Engelen, Bernward

2002-08-01

The Fourier transform infrared spectra of MgNH 4PO 4·H 2O (the synthetic analogue of the mineral dittmarite) and of a series of its partially deuterated analogues have been studied as a part of our continuous work on compounds exhibiting very low water bending frequencies. Although, the presence of ammonium bands makes the assignments in this case more difficult than for the potassium analogues, the isomorphism between the compounds of the MNH 4PO 4·H 2O type (M=Mg, Co, Ni, Mn and one of the polymorphs of CdNH 4PO 4·H 2O) and those which contain potassium instead of ammonium as well as the careful analysis of the spectra warrant the conclusion that in the presently studied compound the water bending mode appears at a frequency which is far more than 100 cm -1 lower than in the gaseous water. The spectra clearly show that the ammonium ions in the structure are involved in quite strong hydrogen bonds, a characteristic which is a precondition for a material to behave as a protonic conductor.

Frequency spectra from current vs. magnetic flux density measurements for mobile phones and other electrical appliances.

PubMed

Straume, Aksel; Johnsson, Anders; Oftedal, Gunnhild; Wilén, Jonna

2007-10-01

The frequency spectra of electromagnetic fields have to be determined to evaluate human exposure in accordance to ICNIRP guidelines. In the literature, comparisons with magnetic field guidelines have been performed by using the frequency distribution of the current drawn from the battery. In the present study we compared the frequency spectrum in the range 217 Hz to 2.4 kHz of the magnetic flux density measured near the surface of a mobile phone with the frequency spectrum of the supply current. By using the multiple frequency rule, recommended in the ICNIRP guidelines, we estimated the magnetic field exposure in the two cases. Similar measurements and estimations were done for an electric drill, a hair dryer, and a fluorescent desk lamp. All the devices have a basic frequency of 50 Hz, and the frequency spectra were evaluated up to 550 Hz. We also mapped the magnetic field in 3D around three mobile phones. The frequency distributions obtained from the two measurement methods are not equal. The frequency content of the current leads to an overestimation of the magnetic field exposure by a factor up to 2.2 for the mobile phone. For the drill, the hair dryer, and the fluorescent lamp, the supply current signal underestimated the exposure by a factor up to 2.3. In conclusion, an accurate exposure evaluation requires the magnetic flux density spectrum of the device to be measured directly. There was no indication that the devices studied would exceed the reference levels at the working distances normally used.

Auditory frequency generalization in the goldfish (Carassius auratus)1

PubMed Central

Fay, Richard R.

1970-01-01

Auditory frequency generalization in the goldfish was studied at five points within the best hearing range through the use of classical respiratory conditioning. Each experimental group received single-stimulus conditioning sessions at one of five stimulus frequencies (100, 200, 400, 800, and 1600 Hz), and were subsequently tested for generalization at eight neighboring frequencies. All stimuli were presented 30 db above absolute threshold. Significant generalization decrements were found for all subjects. For the subjects conditioned in the range between 100 and 800 Hz, a nearly complete failure to generalize was found at one octave above and below the training frequency. The subjects conditioned at 1600 Hz produced relatively more flat gradients between 900 and 2000 Hz. The widths of the generalization gradients, expressed in Hz, increased as a power function of frequency with a slope greater than one. PMID:16811481

First Measurements of High Frequency Cross-Spectra from a Pair of Large Michelson Interferometers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Aaron S.; Gustafson, Richard; Hogan, Craig

Measurements are reported of high frequency cross-spectra of signals from the Fermilab Holometer, a pair of co-located 39 m, high power Michelson interferometers. The instrument obtains differential position sensitivity to cross-correlated signals far exceeding any previous measurement in a broad frequency band extending to the 3.8 MHz inverse light crossing time of the apparatus. A model of universal exotic spatial shear correlations that matches the Planck scale holographic information bound of space-time position states is excluded to 4.6{\\sigma} significance.

A general framework for numerical simulation of improvised explosive device (IED)-detection scenarios using density functional theory (DFT) and terahertz (THz) spectra.

PubMed

Shabaev, Andrew; Lambrakos, Samuel G; Bernstein, Noam; Jacobs, Verne L; Finkenstadt, Daniel

2011-04-01

We have developed a general framework for numerical simulation of various types of scenarios that can occur for the detection of improvised explosive devices (IEDs) through the use of excitation using incident electromagnetic waves. A central component model of this framework is an S-matrix representation of a multilayered composite material system. Each layer of the system is characterized by an average thickness and an effective electric permittivity function. The outputs of this component are the reflectivity and the transmissivity as functions of frequency and angle of the incident electromagnetic wave. The input of the component is a parameterized analytic-function representation of the electric permittivity as a function of frequency, which is provided by another component model of the framework. The permittivity function is constructed by fitting response spectra calculated using density functional theory (DFT) and parameter adjustment according to any additional information that may be available, e.g., experimentally measured spectra or theory-based assumptions concerning spectral features. A prototype simulation is described that considers response characteristics for THz excitation of the high explosive β-HMX. This prototype simulation includes a description of a procedure for calculating response spectra using DFT as input to the Smatrix model. For this purpose, the DFT software NRLMOL was adopted. © 2011 Society for Applied Spectroscopy

Rich magneto-absorption spectra of AAB-stacked trilayer graphene.

PubMed

Do, Thi-Nga; Shih, Po-Hsin; Chang, Cheng-Peng; Lin, Chiun-Yan; Lin, Ming-Fa

2016-06-29

A generalized tight-binding model is developed to investigate the feature-rich magneto-optical properties of AAB-stacked trilayer graphene. Three intragroup and six intergroup inter-Landau-level (inter-LL) optical excitations largely enrich magneto-absorption peaks. In general, the former are much higher than the latter, depending on the phases and amplitudes of LL wavefunctions. The absorption spectra exhibit single- or twin-peak structures which are determined by quantum modes, LL energy spectra and Fermion distribution. The splitting LLs, with different localization centers (2/6 and 4/6 positions in a unit cell), can generate very distinct absorption spectra. There exist extra single peaks because of LL anti-crossings. AAB, AAA, ABA, and ABC stackings considerably differ from one another in terms of the inter-LL category, frequency, intensity, and structure of absorption peaks. The main characteristics of LL wavefunctions and energy spectra and the Fermi-Dirac function are responsible for the configuration-enriched magneto-optical spectra.

On the frequency spectra of the core magnetic field Gauss coefficients

NASA Astrophysics Data System (ADS)

Lesur, Vincent; Wardinski, Ingo; Baerenzung, Julien; Holschneider, Matthias

2018-03-01

From monthly mean observatory data spanning 1957-2014, geomagnetic field secular variation values were calculated by annual differences. Estimates of the spherical harmonic Gauss coefficients of the core field secular variation were then derived by applying a correlation based modelling. Finally, a Fourier transform was applied to the time series of the Gauss coefficients. This process led to reliable temporal spectra of the Gauss coefficients up to spherical harmonic degree 5 or 6, and down to periods as short as 1 or 2 years depending on the coefficient. We observed that a k-2 slope, where k is the frequency, is an acceptable approximation for these spectra, with possibly an exception for the dipole field. The monthly estimates of the core field secular variation at the observatory sites also show that large and rapid variations of the latter happen. This is an indication that geomagnetic jerks are frequent phenomena and that significant secular variation signals at short time scales - i.e. less than 2 years, could still be extracted from data to reveal an unexplored part of the core dynamics.

Retrieval of complex χ(2) parts for quantitative analysis of sum-frequency generation intensity spectra

PubMed Central

Hofmann, Matthias J.; Koelsch, Patrick

2015-01-01

Vibrational sum-frequency generation (SFG) spectroscopy has become an established technique for in situ surface analysis. While spectral recording procedures and hardware have been optimized, unique data analysis routines have yet to be established. The SFG intensity is related to probing geometries and properties of the system under investigation such as the absolute square of the second-order susceptibility χ(2)2. A conventional SFG intensity measurement does not grant access to the complex parts of χ(2) unless further assumptions have been made. It is therefore difficult, sometimes impossible, to establish a unique fitting solution for SFG intensity spectra. Recently, interferometric phase-sensitive SFG or heterodyne detection methods have been introduced to measure real and imaginary parts of χ(2) experimentally. Here, we demonstrate that iterative phase-matching between complex spectra retrieved from maximum entropy method analysis and fitting of intensity SFG spectra (iMEMfit) leads to a unique solution for the complex parts of χ(2) and enables quantitative analysis of SFG intensity spectra. A comparison between complex parts retrieved by iMEMfit applied to intensity spectra and phase sensitive experimental data shows excellent agreement between the two methods. PMID:26450297

Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters

NASA Astrophysics Data System (ADS)

Lee, Jin Yong; Kim, Jongseob; Lee, Han Myoung; Tarakeshwar, P.; Kim, Kwang S.

2000-10-01

The water hexamer is known to have a number of isoenergetic structures. The first experimental identification of the O-H stretching vibrational spectra of the water hexamer was done in the presence of benzene. It was followed by the identification of the pure water hexamer structure by vibration-rotational tunneling (VRT) spectroscopy. Although both experiments seem to have located only the Cage structure, the structure of the benzene-water hexamer complex is not clearly known, and the effect of benzene in the water hexamer is unclear. In particular, it is not obvious how the energy difference between nearly isoenergetic water hexamer conformers changes in the presence of benzene. Thus, we have compared the benzene complexes with four low-lying isoenergetic water hexamers, Ring, Book, Cage, and Prism structures, using ab initio calculations. We also investigated the effects of the presence of benzene on the structures, harmonic vibrational frequencies, and infrared (IR) intensities for the four low-lying energy conformers. There is little change in the structure of the water hexamer upon its interaction with the benzene molecule. Hence the deformation energies are very small. The dominant contribution to the benzene-water cluster interaction mainly comes from the π-H interactions between benzene and a single water molecule. As a result of this π-H interaction, O-Hπ bond length increases and the corresponding stretching vibrational frequencies are redshifted. The IR spectral features of both (H2O)6 and benzene-(H2O)6 are quite similar. From both the energetics and the comparison of calculated and experimental spectra of the benzene-(H2O)6, the water structure in these complexes is found to have the Cage form. In particular, among the four different Cage structures, only one conformer matches the experimental O-H vibrational frequencies.

Vibrational spectra from atomic fluctuations in dynamics simulations. II. Solvent-induced frequency fluctuations at femtosecond time resolution

NASA Astrophysics Data System (ADS)

Schmitz, Matthias; Tavan, Paul

2004-12-01

The midinfrared (MIR) spectra of molecules in polar solvents exhibit inhomogeneously broadened bands whose spectral positions are shifted as compared to the gas phase. The shifts are caused by interactions with structured solvation shells and the broadenings by fluctuations of these interactions. The MIR spectra can be calculated from hybrid molecular dynamics (MD) simulations, which treat the solute molecule by density functional theory and the solvent by molecular mechanics by the so-called instantaneous normal mode analysis (INMA) or by Fourier transforming the time correlation function (FTTCF) of the molecular dipole moment. In Paper I of this work [M. Schmitz and P. Tavan, J. Chem. Phys. 121, 12233 (2004)] we explored an alternative method based on generalized virial (GV) frequencies noting, however, that GV systematically underestimates frequencies. As shown by us these artifacts are caused by solvent-induced fluctuations of the (i) equilibrium geometry, (ii) force constants, and (iii) normal mode directions as well as by (iv) diagonal and (v) off-diagonal anharmonicities. Here we now show, by analyzing the time scales of fluctuations and sample MD trajectories of formaldehyde in the gas phase and in water, that all these sources of computational artifacts can be made visible by a Fourier analysis of the normal coordinates. Correspondingly, the error sources (i) and (iii)-(v) can be removed by bandpass filtering, as long as the spectral signatures of the respective effects are well separated from the fundamental band. Furthermore, the artifacts arising from effect (ii) can be strongly diminished by a time-resolved version of the GV approach (TF-GV). The TF-GV method then yields for each mode j a trajectory of the vibrational frequency ωj(t|τ) at a time resolution τ>τj, which is only limited by the corresponding oscillation time τj=2π/ωj and, thus, is in the femtosecond range. A correlation analysis of these trajectories clearly separates the

An improved dual-frequency technique for the remote sensing of ocean currents and wave spectra

NASA Technical Reports Server (NTRS)

Schuler, D. L.; Eng, W. P.

1984-01-01

A two frequency microwave radar technique for the remote sensing of directional ocean wave spectra and surface currents is investigated. This technique is conceptually attractive because its operational physical principle involves a spatial electromagnetic scattering resonance with a single, but selectable, long gravity wave. Multiplexing of signals having different spacing of the two transmitted frequencies allows measurements of the entire long wave ocean spectrum to be carried out. A new scatterometer is developed and experimentally tested which is capable of making measurements having much larger signal/background values than previously possible. This instrument couples the resonance technique with coherent, frequency agility radar capabilities. This scatterometer is presently configured for supporting a program of surface current measurements.

Mössbauer spectra linearity improvement by sine velocity waveform followed by linearization process

NASA Astrophysics Data System (ADS)

Kohout, Pavel; Frank, Tomas; Pechousek, Jiri; Kouril, Lukas

2018-05-01

This note reports the development of a new method for linearizing the Mössbauer spectra recorded with a sine drive velocity signal. Mössbauer spectra linearity is a critical parameter to determine Mössbauer spectrometer accuracy. Measuring spectra with a sine velocity axis and consecutive linearization increases the linearity of spectra in a wider frequency range of a drive signal, as generally harmonic movement is natural for velocity transducers. The obtained data demonstrate that linearized sine spectra have lower nonlinearity and line width parameters in comparison with those measured using a traditional triangle velocity signal.

First measurements of high frequency cross-spectra from a pair of large Michelson interferometers

DOE PAGES

Chou, Aaron S.; Gustafson, Richard; Hogan, Craig; ...

2016-09-09

Here, measurements are reported of the cross-correlation of spectra of differential position signals from the Fermilab Holometer, a pair of colocated 39 m long, high power Michelson interferometers with flat broadband frequency response in the MHz range. The instrument obtains sensitivity to high frequency correlated signals far exceeding any previous measurement in a broad frequency band extending beyond the 3.8 MHz inverse light-crossing time of the apparatus. The dominant but uncorrelated shot noise is averaged down over 2 × 10 8 independent spectral measurements with 381 Hz frequency resolution to obtain 2.1 × 10 -20m/ √Hz sensitivity to stationary signals. For signal bandwidthsmore » Δf > 11 kHz, the sensitivity to strain h or shear power spectral density of classical or exotic origin surpasses a milestone PSD δh < t p where t p = 5.39 × 10 -44/ Hz is the Planck time.« less

First Measurements of High Frequency Cross-Spectra from a Pair of Large Michelson Interferometers.

PubMed

Chou, Aaron S; Gustafson, Richard; Hogan, Craig; Kamai, Brittany; Kwon, Ohkyung; Lanza, Robert; McCuller, Lee; Meyer, Stephan S; Richardson, Jonathan; Stoughton, Chris; Tomlin, Raymond; Waldman, Samuel; Weiss, Rainer

2016-09-09

Measurements are reported of the cross-correlation of spectra of differential position signals from the Fermilab Holometer, a pair of colocated 39 m long, high power Michelson interferometers with flat broadband frequency response in the MHz range. The instrument obtains sensitivity to high frequency correlated signals far exceeding any previous measurement in a broad frequency band extending beyond the 3.8 MHz inverse light-crossing time of the apparatus. The dominant but uncorrelated shot noise is averaged down over 2×10^{8} independent spectral measurements with 381 Hz frequency resolution to obtain 2.1×10^{-20}m/sqrt[Hz] sensitivity to stationary signals. For signal bandwidths Δf>11  kHz, the sensitivity to strain h or shear power spectral density of classical or exotic origin surpasses a milestone PSD_{δh}

Temperature Dependence of Low-Frequency Spectra in Molten Bis(trifluoromethylsulfonyl)amide Salts of Imidazolium Cations Studied by Femtosecond Raman-Induced Kerr Effect Spectroscopy.

PubMed

Shirota, Hideaki; Kakinuma, Shohei

2015-07-30

In this study, the temperature dependence of the low-frequency spectra of liquid bis(trifluoromethylsulfonyl)amide salts of the monocations 1-methyl-3-propylimidazolium and 1-hexyl-3-methylimidazolium and the dications 1,6-bis(3-methylimidazolium-1-yl)hexane and 1,12-bis(3-methylimidazolium-1-yl)dodecane has been investigated by means of femtosecond optical heterodyne-detected Raman-induced Kerr effect spectroscopy. The intensity in the low-frequency region below 20 cm(-1) in the spectra of the four ionic liquids increases with rising temperature. From a line-shape analysis of the broadened low-frequency spectra of the ionic liquids, it is clear that the lowest-frequency component, which peaks at approximately 5 cm(-1), contributes to the temperature dependence of the spectra. This implies that the activity of the intermolecular translational vibrational motion is increasing with rising temperature. It is also possible that decoupling in the crossover process between intermolecular vibrational motion and structural relaxation occurs as a result of a deterioration of the non-Markovian feature or the loss of memory caused by the higher temperature. The peak of the highest-frequency component, which is due mainly to the imidazolium ring libration, shifts to lower frequency with increasing temperature. This is attributed to weaker interactions of the ionic liquids at higher temperatures. Temperature-dependent viscosities from 293 to 353 K of the four ionic liquids have also been characterized.

Difference optimization: Automatic correction of relative frequency and phase for mean non-edited and edited GABA 1H MEGA-PRESS spectra

NASA Astrophysics Data System (ADS)

Cleve, Marianne; Krämer, Martin; Gussew, Alexander; Reichenbach, Jürgen R.

2017-06-01

Phase and frequency corrections of magnetic resonance spectroscopic data are of major importance to obtain reliable and unambiguous metabolite estimates as validated in recent research for single-shot scans with the same spectral fingerprint. However, when using the J-difference editing technique 1H MEGA-PRESS, misalignment between mean edited (ON ‾) and non-edited (OFF ‾) spectra that may remain even after correction of the corresponding individual single-shot scans results in subtraction artefacts compromising reliable GABA quantitation. We present a fully automatic routine that iteratively optimizes simultaneously relative frequencies and phases between the mean ON ‾ and OFF ‾ 1H MEGA-PRESS spectra while minimizing the sum of the magnitude of the difference spectrum (L1 norm). The proposed method was applied to simulated spectra at different SNR levels with deliberately preset frequency and phase errors. Difference optimization proved to be more sensitive to small signal fluctuations, as e.g. arising from subtraction artefacts, and outperformed the alternative spectral registration approach, that, in contrast to our proposed linear approach, uses a nonlinear least squares minimization (L2 norm), at all investigated levels of SNR. Moreover, the proposed method was applied to 47 MEGA-PRESS datasets acquired in vivo at 3 T. The results of the alignment between the mean OFF ‾ and ON ‾ spectra were compared by applying (a) no correction, (b) difference optimization or (c) spectral registration. Since the true frequency and phase errors are not known for in vivo data, manually corrected spectra were used as the gold standard reference (d). Automatically corrected data applying both, method (b) or method (c), showed distinct improvements of spectra quality as revealed by the mean Pearson correlation coefficient between corresponding real part mean DIFF ‾ spectra of Rbd = 0.997 ± 0.003 (method (b) vs. (d)), compared to Rad = 0.764 ± 0.220 (method (a) vs

Difference optimization: Automatic correction of relative frequency and phase for mean non-edited and edited GABA 1H MEGA-PRESS spectra.

PubMed

Cleve, Marianne; Krämer, Martin; Gussew, Alexander; Reichenbach, Jürgen R

2017-06-01

Phase and frequency corrections of magnetic resonance spectroscopic data are of major importance to obtain reliable and unambiguous metabolite estimates as validated in recent research for single-shot scans with the same spectral fingerprint. However, when using the J-difference editing technique 1 H MEGA-PRESS, misalignment between mean edited (ON‾) and non-edited (OFF‾) spectra that may remain even after correction of the corresponding individual single-shot scans results in subtraction artefacts compromising reliable GABA quantitation. We present a fully automatic routine that iteratively optimizes simultaneously relative frequencies and phases between the mean ON‾ and OFF‾ 1 H MEGA-PRESS spectra while minimizing the sum of the magnitude of the difference spectrum (L 1 norm). The proposed method was applied to simulated spectra at different SNR levels with deliberately preset frequency and phase errors. Difference optimization proved to be more sensitive to small signal fluctuations, as e.g. arising from subtraction artefacts, and outperformed the alternative spectral registration approach, that, in contrast to our proposed linear approach, uses a nonlinear least squares minimization (L 2 norm), at all investigated levels of SNR. Moreover, the proposed method was applied to 47 MEGA-PRESS datasets acquired in vivo at 3T. The results of the alignment between the mean OFF‾ and ON‾ spectra were compared by applying (a) no correction, (b) difference optimization or (c) spectral registration. Since the true frequency and phase errors are not known for in vivo data, manually corrected spectra were used as the gold standard reference (d). Automatically corrected data applying both, method (b) or method (c), showed distinct improvements of spectra quality as revealed by the mean Pearson correlation coefficient between corresponding real part mean DIFF‾ spectra of R bd =0.997±0.003 (method (b) vs. (d)), compared to R ad =0.764±0.220 (method (a) vs. (d

Inductive phenomena at low frequencies in impedance spectra of proton exchange membrane fuel cells - A review

NASA Astrophysics Data System (ADS)

Pivac, Ivan; Barbir, Frano

2016-09-01

The results of electrochemical impedance spectroscopy of proton exchange membrane (PEM) fuel cells may exhibit inductive phenomena at low frequencies. The occurrence of inductive features at high frequencies is explained by the cables and wires of the test system. However, explanation of inductive loop at low frequencies requires a more detailed study. This review paper discusses several possible causes of such inductive behavior in PEM fuel cells, such as side reactions with intermediate species, carbon monoxide poisoning, and water transport, also as their equivalent circuit representations. It may be concluded that interpretation of impedance spectra at low frequencies is still ambiguous, and that better equivalent circuit models are needed with clearly defined physical meaning of each of the circuit elements.

General misincorporation frequency: Re-evaluation of the fidelity of DNA polymerases.

PubMed

Yang, Jie; Li, Bianbian; Liu, Xiaoying; Tang, Hong; Zhuang, Xiyao; Yang, Mingqi; Xu, Ying; Zhang, Huidong; Yang, Chun

2018-02-19

DNA replication in cells is performed in the presence of four dNTPs and four rNTPs. In this study, we re-evaluated the fidelity of DNA polymerases using the general misincorporation frequency consisting of three incorrect dNTPs and four rNTPs but not using the traditional special misincorporation frequency with only the three incorrect dNTPs. We analyzed both the general and special misincorporation frequencies of nucleotide incorporation opposite dG, rG, or 8-oxoG by Pseudomonas aeruginosa phage 1 (PaP1) DNA polymerase Gp90 or Sulfolobus solfataricus DNA polymerase Dpo4. Both misincorporation frequencies of other DNA polymerases published were also summarized and analyzed. The general misincorporation frequency is obviously higher than the special misincorporation frequency for many DNA polymerases, indicating the real fidelity of a DNA polymerase should be evaluated using the general misincorporation frequency. Copyright © 2018 Elsevier Inc. All rights reserved.

Two-frequency /Delta k/ microwave scatterometer measurements of ocean wave spectra from an aircraft

NASA Technical Reports Server (NTRS)

Johnson, J. W.; Jones, W. L.; Weissman, D. E.

1981-01-01

A technique for remotely sensing the large-scale gravity wave spectrum on the ocean surface using a two frequency (Delta k) microwave scatterometer has been demonstrated from stationary platforms and proposed from moving platforms. This measurement takes advantage of Bragg type resonance matching between the electromagnetic wavelength at the difference frequency and the length of the large-scale surface waves. A prominent resonance appears in the cross product power spectral density (PSD) of the two backscattered signals. Ku-Band aircraft scatterometer measurements were conducted by NASA in the North Sea during the 1979 Maritime Remote Sensing (MARSEN) experiment. Typical examples of cross product PSD's computed from the MARSEN data are presented. They demonstrate strong resonances whose frequency and bandwidth agree with the surface characteristics and the theory. Directional modulation spectra of the surface reflectivity are compared to the gravity wave spectrum derived from surface truth measurements.

General and inducible hypermutation facilitate parallel adaptation in Pseudomonas aeruginosa despite divergent mutation spectra.

PubMed

Weigand, Michael R; Sundin, George W

2012-08-21

The successful growth of hypermutator strains of bacteria contradicts a clear preference for lower mutation rates observed in the microbial world. Whether by general DNA repair deficiency or the inducible action of low-fidelity DNA polymerases, the evolutionary strategies of bacteria include methods of hypermutation. Although both raise mutation rate, general and inducible hypermutation operate through distinct molecular mechanisms and therefore likely impart unique adaptive consequences. Here we compare the influence of general and inducible hypermutation on adaptation in the model organism Pseudomonas aeruginosa PAO1 through experimental evolution. We observed divergent spectra of single base substitutions derived from general and inducible hypermutation by sequencing rpoB in spontaneous rifampicin-resistant (Rif(R)) mutants. Likewise, the pattern of mutation in a draft genome sequence of a derived inducible hypermutator isolate differed from those of general hypermutators reported in the literature. However, following experimental evolution, populations of both mutator types exhibited comparable improvements in fitness across varied conditions that differed from the highly specific adaptation of nonmutators. Our results suggest that despite their unique mutation spectra, general and inducible hypermutation can analogously influence the ecology and adaptation of bacteria, significantly shaping pathogenic populations where hypermutation has been most widely observed.

Drop-port study of microresonator frequency combs: power transfer, spectra and time-domain characterization.

PubMed

Wang, Pei-Hsun; Xuan, Yi; Fan, Li; Varghese, Leo Tom; Wang, Jian; Liu, Yang; Xue, Xiaoxiao; Leaird, Daniel E; Qi, Minghao; Weiner, Andrew M

2013-09-23

We use a drop-port geometry to characterize frequency combs generated from silicon nitride on-chip microresonators in the normal group velocity regime. In sharp contrast with the traditional transmission geometry, we observe smooth output spectra with comparable powers in the pump and adjacent comb lines. The power transfer into the comb may be explained to a large extent by the coupling parameters characterizing the linear operation of the resonances studied. Furthermore, comparison of thru- and drop-port spectra shows that much of the ASE noise is filtered out by transmission to the drop-port. Autocorrelation measurements are performed on the drop-port output, without the need to filter out or suppress the strong pump line as is necessary in thru-port experiments. Passively mode-locked pulses with low background are observed in a normal dispersion microcavity.

High frequency signal acquisition using a smartphone in an undergraduate teaching laboratory: Applications in ultrasonic resonance spectra.

PubMed

Sturtevant, Blake T; Pantea, Cristian; Sinha, Dipen N

2016-10-01

A simple and inexpensive approach to acquiring signals in the megahertz frequency range using a smartphone is described. The approach is general, applicable to electromagnetic as well as acoustic measurements, and makes available to undergraduate teaching laboratories experiments that are traditionally inaccessible due to the expensive equipment that are required. This paper focuses on megahertz range ultrasonic resonance spectra in liquids and solids, although there is virtually no upper limit on frequencies measurable using this technique. Acoustic resonance measurements in water and Fluorinert in a one dimensional (1D) resonant cavity were conducted and used to calculate sound speed. The technique is shown to have a precision and accuracy significantly better than one percent in liquid sound speed. Measurements of 3D resonances in an isotropic solid sphere were also made and used to determine the bulk and shear moduli of the sample. The elastic moduli determined from the solid resonance measurements agreed with those determined using a research grade vector network analyzer to better than 0.5%. The apparatus and measurement technique described can thus make research grade measurements using standardly available laboratory equipment for a cost that is two-to-three orders of magnitude less than the traditional measurement equipment used for these measurements.

Reference-free, high-resolution measurement method of timing jitter spectra of optical frequency combs

PubMed Central

Kwon, Dohyeon; Jeon, Chan-Gi; Shin, Junho; Heo, Myoung-Sun; Park, Sang Eon; Song, Youjian; Kim, Jungwon

2017-01-01

Timing jitter is one of the most important properties of femtosecond mode-locked lasers and optical frequency combs. Accurate measurement of timing jitter power spectral density (PSD) is a critical prerequisite for optimizing overall noise performance and further advancing comb applications both in the time and frequency domains. Commonly used jitter measurement methods require a reference mode-locked laser with timing jitter similar to or lower than that of the laser-under-test, which is a demanding requirement for many laser laboratories, and/or have limited measurement resolution. Here we show a high-resolution and reference-source-free measurement method of timing jitter spectra of optical frequency combs using an optical fibre delay line and optical carrier interference. The demonstrated method works well for both mode-locked oscillators and supercontinua, with 2 × 10−9 fs2/Hz (equivalent to −174 dBc/Hz at 10-GHz carrier frequency) measurement noise floor. The demonstrated method can serve as a simple and powerful characterization tool for timing jitter PSDs of various comb sources including mode-locked oscillators, supercontinua and recently emerging Kerr-frequency combs; the jitter measurement results enabled by our method will provide new insights for understanding and optimizing timing noise in such comb sources. PMID:28102352

Entropy-based derivation of generalized distributions for hydrometeorological frequency analysis

NASA Astrophysics Data System (ADS)

Chen, Lu; Singh, Vijay P.

2018-02-01

Frequency analysis of hydrometeorological and hydrological extremes is needed for the design of hydraulic and civil infrastructure facilities as well as water resources management. A multitude of distributions have been employed for frequency analysis of these extremes. However, no single distribution has been accepted as a global standard. Employing the entropy theory, this study derived five generalized distributions for frequency analysis that used different kinds of information encoded as constraints. These distributions were the generalized gamma (GG), the generalized beta distribution of the second kind (GB2), and the Halphen type A distribution (Hal-A), Halphen type B distribution (Hal-B) and Halphen type inverse B distribution (Hal-IB), among which the GG and GB2 distribution were previously derived by Papalexiou and Koutsoyiannis (2012) and the Halphen family was first derived using entropy theory in this paper. The entropy theory allowed to estimate parameters of the distributions in terms of the constraints used for their derivation. The distributions were tested using extreme daily and hourly rainfall data. Results show that the root mean square error (RMSE) values were very small, which indicated that the five generalized distributions fitted the extreme rainfall data well. Among them, according to the Akaike information criterion (AIC) values, generally the GB2 and Halphen family gave a better fit. Therefore, those general distributions are one of the best choices for frequency analysis. The entropy-based derivation led to a new way for frequency analysis of hydrometeorological extremes.

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

NASA Astrophysics Data System (ADS)

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.

Microearthquake spectra from the Anza, California, seismic network: site response and source scaling

USGS Publications Warehouse

Frankel, Arthur D.; Wennerberg, Leif

1989-01-01

We analyzed spectra of local microearthquakes recorded by the Anza, California, seismic network to isolate the effects of site response and to investigate the scaling of source parameters for small earthquakes. Spectra of microearthquakes (M < 2; Mo< 1019 dyne-cm) at Anza have shapes characteristic of the receiver sites and are generally independent of the source region. Thus, the site response is a major conditioner of the observed spectral shape. To remove the effects of site response from the spectra of a M ∼ 3 event and isolate its source spectrum, we divided by the spectra of an adjacent aftershock used as an empirical Green's function event. The spectral ratios indicate that the apparent corner frequencies of small earthquakes (Mo < 1019dyne-cm) observed at even the high-fmax stations on hard rock are much lower than the source corner frequencies. The spectral ratios are consistent with stress drop remaining constant with decreasing seismic moment, for events with moments as small as 1018 dyne-cm. The spectral ratios display remarkable agreement between sites which showed vast differences in their original spectra, indicating that the spectral division effectively removed the site response. The source spectrum of the M ∼ 3 event has a high-frequency spectral fall-off of about ω−2. An apparent dependence of high-frequency fall-off with seismic moment in the original spectra can also be explained by the effects of site response. The difference between the P- and S-wave corner frequencies and high-frequency roll-offs in the observed spectra for these events is the result of the site response and is not a source property. The shapes of the spectra of microearthquakes at Anza can largely be explained by attenuation at shallow depth with a frequency-independent Q. For some sites, near-surface resonances are also apparent in the spectra of microearthquakes. It is indicated by t* values determined for each site that Qp ∼ Qsfor the shallow

General relativistic spectra of accretion discs around rapidly rotating neutron stars: effect of light bending

NASA Astrophysics Data System (ADS)

Bhattacharyya, Sudip; Bhattacharya, Dipankar; Thampan, Arun V.

2001-08-01

We present computed spectra, as seen by a distant observer, from the accretion disc around a rapidly rotating neutron star. Our calculations are carried out in a fully general relativistic framework, with an exact treatment of rotation. We take into account the Doppler shift, gravitational redshift and light-bending effects in order to compute the observed spectrum. We find that light bending significantly modifies the high-energy part of the spectrum. Computed spectra for slowly rotating neutron stars are also presented. These results would be important for modelling the observed X-ray spectra of low-mass X-ray binaries containing fast-spinning neutron stars.

Comparison between measured and predicted turbulence frequency spectra in ITG and TEM regimes

NASA Astrophysics Data System (ADS)

Citrin, J.; Arnichand, H.; Bernardo, J.; Bourdelle, C.; Garbet, X.; Jenko, F.; Hacquin, S.; Pueschel, M. J.; Sabot, R.

2017-06-01

The observation of distinct peaks in tokamak core reflectometry measurements—named quasi-coherent-modes (QCMs)—are identified as a signature of trapped-electron-mode (TEM) turbulence (Arnichand et al 2016 Plasma Phys. Control. Fusion 58 014037). This phenomenon is investigated with detailed linear and nonlinear gyrokinetic simulations using the Gene code. A Tore-Supra density scan is studied, which traverses through a linear (LOC) to saturated (SOC) ohmic confinement transition. The LOC and SOC phases are both simulated separately. In the LOC phase, where QCMs are observed, TEMs are robustly predicted unstable in linear studies. In the later SOC phase, where QCMs are no longer observed, ion-temperature-gradient (ITG) modes are identified. In nonlinear simulations, in the ITG (SOC) phase, a broadband spectrum is seen. In the TEM (LOC) phase, a clear emergence of a peak at the TEM frequencies is seen. This is due to reduced nonlinear frequency broadening of the underlying linear modes in the TEM regime compared with the ITG regime. A synthetic diagnostic of the nonlinearly simulated frequency spectra reproduces the features observed in the reflectometry measurements. These results support the identification of core QCMs as an experimental marker for TEM turbulence.

Planck intermediate results. XLV. Radio spectra of northern extragalactic radio sources

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Aller, H. D.; Aller, M. F.; Arnaud, M.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartolo, N.; Battaner, E.; Benabed, K.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Burigana, C.; Calabrese, E.; Catalano, A.; Chiang, H. C.; Christensen, P. R.; Clements, D. L.; Colombo, L. P. L.; Couchot, F.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Dickinson, C.; Diego, J. M.; Dole, H.; Donzelli, S.; Doré, O.; Ducout, A.; Dupac, X.; Efstathiou, G.; Elsner, F.; Eriksen, H. K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Galeotta, S.; Galli, S.; Ganga, K.; Giard, M.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gruppuso, A.; Gurwell, M. A.; Hansen, F. K.; Harrison, D. L.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Hildebrandt, S. R.; Hobson, M.; Hornstrup, A.; Hovatta, T.; Hovest, W.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jaffe, T. R.; Järvelä, E.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Kunz, M.; Kurki-Suonio, H.; Lähteenmäki, A.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Lawrence, C. R.; Leonardi, R.; Levrier, F.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Maino, D.; Mandolesi, N.; Maris, M.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; Max-Moerbeck, W.; Meinhold, P. R.; Melchiorri, A.; Mennella, A.; Migliaccio, M.; Mingaliev, M.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Nati, F.; Natoli, P.; Nieppola, E.; Noviello, F.; Novikov, D.; Novikov, I.; Pagano, L.; Pajot, F.; Paoletti, D.; Partridge, B.; Pasian, F.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Pratt, G. W.; Ramakrishnan, V.; Rastorgueva-Foi, E. A.; S Readhead, A. C.; Reinecke, M.; Remazeilles, M.; Renault, C.; Renzi, A.; Richards, J. L.; Ristorcelli, I.; Rocha, G.; Rossetti, M.; Roudier, G.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Savelainen, M.; Savini, G.; Scott, D.; Sotnikova, Y.; Stolyarov, V.; Sunyaev, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tammi, J.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tornikoski, M.; Tristram, M.; Tucci, M.; Türler, M.; Valenziano, L.; Valiviita, J.; Valtaoja, E.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L. A.; Wehrle, A. E.; Wehus, I. K.; Yvon, D.; Zacchei, A.; Zonca, A.

2016-12-01

Continuum spectra covering centimetre to submillimetre wavelengths are presented for a northern sample of 104 extragalactic radio sources, mainly active galactic nuclei, based on four-epoch Planck data. The nine Planck frequencies, from 30 to 857 GHz, are complemented by a set of simultaneous ground-based radio observations between 1.1 and 37 GHz. The single-survey Planck data confirm that the flattest high-frequency radio spectral indices are close to zero, indicating that the original accelerated electron energy spectrum is much harder than commonly thought, with power-law index around 1.5 instead of the canonical 2.5. The radio spectra peak at high frequencies and exhibit a variety of shapes. For a small set of low-z sources, we find a spectral upturn at high frequencies, indicating the presence of intrinsic cold dust. Variability can generally be approximated by achromatic variations, while sources with clear signatures of evolving shocks appear to be limited to the strongest outbursts.

A generalized modal shock spectra method for spacecraft loads analysis

NASA Technical Reports Server (NTRS)

Trubert, M.; Salama, M.

1979-01-01

Unlike the traditional shock spectra approach, the generalization presented in this paper permits elastic interaction between the spacecraft and launch vehicle in order to obtain accurate bounds on the spacecraft response and structural loads. In addition, the modal response from a previous launch vehicle transient analysis - with or without a dummy spacecraft - is exploited in order to define a modal impulse as a simple idealization of the actual forcing function. The idealized modal forcing function is then used to derive explicit expressions for an estimate of the bound on the spacecraft structural response and forces.

Very low frequency oscillations in the power spectra of heart rate variability during dry supine immersion and exposure to non-hypoxic hypobaria.

PubMed

Tripathi, K K

2011-06-01

The origin of very low frequency (VLF) oscillations in the power spectra of heart rate variability (HRV) is controversial with possible mechanisms involving thermoregulation and/or renin-angiotensin-aldosterone system. Recently, a major contribution from vagal influences has been suggested. The present study investigated the behaviour of VLF (0.004-0.040 Hz) components of HRV power spectra in a group of healthy male volunteers during their exposure to (1) dry, supine, immersion in thermo-neutral water for 6 h (n = 7) and (2) non-hypoxic hypobaria (breathing 40-60% oxygen at 15,000' simulated in a decompression chamber) for 5 h (n = 15). The two manoeuvres are established to increase vagal outflow. During both the manoeuvres, all the frequency domain indices of HRV exhibited a significant increase. Increase in HRV was much more than that in the R-R interval. At 6 h of immersion, the R-R interval increased by ∼ 15% but the total power increased ∼ fourfold. Similarly, at 5 h of exposure to hypobaria, total power increased ∼ twofold with a very modest increase in an R-R of ∼ 9%. Increase in spectral power was appreciable even after normalization with mean R-R(2). Increase in VLF during immersion was more than reported during enalaprilat blockade of angiotensin convertase enzyme. Plasma renin activity did not vary during hypobaria. There was a significant increase in pNN50, an established marker of cardiac vagal activity. Centre frequencies of the spectra and slope (β) of the relation between log(PSD) and log(frequency) did not change. Results were supportive of the notion that the parasympathetic system is pre-potent to influence slower (than respiratory) frequency components in HRV spectrum. Additionally, such an effect was without a change in the time constant of effector responses or pacemaker frequencies of VLF and LF periodicities and HRV was not a simple linear surrogate for cardiac vagal effects. An invariance of spectral exponent (β) ruled out

Inequality spectra

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2017-03-01

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

Wavenumber-frequency Spectra of Pressure Fluctuations Measured via Fast Response Pressure Sensitive Paint

NASA Technical Reports Server (NTRS)

Panda, J.; Roozeboom, N. H.; Ross, J. C.

2016-01-01

The recent advancement in fast-response Pressure-Sensitive Paint (PSP) allows time-resolved measurements of unsteady pressure fluctuations from a dense grid of spatial points on a wind tunnel model. This capability allows for direct calculations of the wavenumber-frequency (k-?) spectrum of pressure fluctuations. Such data, useful for the vibro-acoustics analysis of aerospace vehicles, are difficult to obtain otherwise. For the present work, time histories of pressure fluctuations on a flat plate subjected to vortex shedding from a rectangular bluff-body were measured using PSP. The light intensity levels in the photographic images were then converted to instantaneous pressure histories by applying calibration constants, which were calculated from a few dynamic pressure sensors placed at selective points on the plate. Fourier transform of the time-histories from a large number of spatial points provided k-? spectra for pressure fluctuations. The data provides first glimpse into the possibility of creating detailed forcing functions for vibro-acoustics analysis of aerospace vehicles, albeit for a limited frequency range.

Highly Accurate Quantitative Analysis Of Enantiomeric Mixtures from Spatially Frequency Encoded 1H NMR Spectra.

PubMed

Plainchont, Bertrand; Pitoux, Daisy; Cyrille, Mathieu; Giraud, Nicolas

2018-02-06

We propose an original concept to measure accurately enantiomeric excesses on proton NMR spectra, which combines high-resolution techniques based on a spatial encoding of the sample, with the use of optically active weakly orienting solvents. We show that it is possible to simulate accurately dipolar edited spectra of enantiomers dissolved in a chiral liquid crystalline phase, and to use these simulations to calibrate integrations that can be measured on experimental data, in order to perform a quantitative chiral analysis. This approach is demonstrated on a chemical intermediate for which optical purity is an essential criterion. We find that there is a very good correlation between the experimental and calculated integration ratios extracted from G-SERF spectra, which paves the way to a general method of determination of enantiomeric excesses based on the observation of 1 H nuclei.

Monte Carlo turbulence simulation using rational approximations to von Karman spectra

NASA Technical Reports Server (NTRS)

Campbell, C. W.

1986-01-01

Turbulence simulation is computationally much simpler using rational spectra, but turbulence falls off as f exp -5/3 in frequency ranges of interest to aircraft response and as predicted by von Karman's model. Rational approximations to von Karman spectra should satisfy three requirements: (1) the rational spectra should provide a good approximation to the von Karman spectra in the frequency range of interest; (2) for stability, the resulting rational transfer function should have all its poles in the left half-plane; and (3) at high frequencies, the rational spectra must fall off as an integer power of frequency, and since the -2 power is closest to the -5/3 power, the rational approximation should roll off as the -2 power at high frequencies. Rational approximations to von Karman spectra that satisfy these three criteria are presented, along with spectra from simulated turbulence. Agreement between the spectra of the simulated turbulence and von Karman spectra is excellent.

Amplification of anharmonicities in multiphoton vibrational action spectra.

PubMed

Calvo, F; Parneix, P

2012-01-16

The influence of one or several infrared laser pulses on the stability of bare and argon-tagged sodium chloride clusters is investigated theoretically by a combination of computational methods involving explicit molecular dynamics and properly calibrated unimolecular rate theories. The fragmentation spectra obtained by varying the laser frequency in the far-IR range is compared to the linear absorption spectrum resulting from the dipole moment autocorrelation function. Under appropriate laser field parameters, the action spectra are found to resemble the absorption spectra quite accurately in terms of positions, line widths, and even relative intensities. However, the action spectra exhibit residual and systematic redshifts of a few percent, which are partly due to the finite spectral bandwidth but are amplified by the progressive heating by the laser. A quantitative analysis suggests that these anharmonicity effects should generally arise upon multiple photon absorption. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Negative permittivity and permeability spectra of Cu/yttrium iron garnet hybrid granular composite materials in the microwave frequency range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsutaoka, Takanori, E-mail: tsutaok@hiroshima-u.ac.jp; Fukuyama, Koki; Kinoshita, Hideaki

2013-12-23

The relative complex permittivity and permeability spectra of the coagulated copper and yttrium iron garnet (Cu/YIG) hybrid granular composite materials have been studied in the microwave range. The insulator to metal transition was observed at the percolation threshold of Cu particle content (φ{sub Cu} = 16.0 vol. %) in the electrical conductivity. In the percolation threshold, the low frequency plasmonic state caused by the metallic Cu particle networks was observed. The percolated Cu/YIG granular composites show simultaneous negative permittivity and permeability spectra under external magnetic fields.

The effect of sampling rate and anti-aliasing filters on high-frequency response spectra

USGS Publications Warehouse

Boore, David M.; Goulet, Christine

2013-01-01

The most commonly used intensity measure in ground-motion prediction equations is the pseudo-absolute response spectral acceleration (PSA), for response periods from 0.01 to 10 s (or frequencies from 0.1 to 100 Hz). PSAs are often derived from recorded ground motions, and these motions are usually filtered to remove high and low frequencies before the PSAs are computed. In this article we are only concerned with the removal of high frequencies. In modern digital recordings, this filtering corresponds at least to an anti-aliasing filter applied before conversion to digital values. Additional high-cut filtering is sometimes applied both to digital and to analog records to reduce high-frequency noise. Potential errors on the short-period (high-frequency) response spectral values are expected if the true ground motion has significant energy at frequencies above that of the anti-aliasing filter. This is especially important for areas where the instrumental sample rate and the associated anti-aliasing filter corner frequency (above which significant energy in the time series is removed) are low relative to the frequencies contained in the true ground motions. A ground-motion simulation study was conducted to investigate these effects and to develop guidance for defining the usable bandwidth for high-frequency PSA. The primary conclusion is that if the ratio of the maximum Fourier acceleration spectrum (FAS) to the FAS at a frequency fsaa corresponding to the start of the anti-aliasing filter is more than about 10, then PSA for frequencies above fsaa should be little affected by the recording process, because the ground-motion frequencies that control the response spectra will be less than fsaa . A second topic of this article concerns the resampling of the digital acceleration time series to a higher sample rate often used in the computation of short-period PSA. We confirm previous findings that sinc-function interpolation is preferred to the standard practice of using

Dependence of flux-flow critical frequencies and generalized bundle sizes on distance of fluxoid traversal and fluxoid length in foil samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, J.D.; Joiner, W.C.H.

1979-10-01

Flux-flow noise power spectra taken on Pb/sub 80/In/sub 20/ foils as a function of the orientation of the magnetic field with respect to the sample surfaces are used to study changes in frequencies and bundle sizes as distances of fluxoid traversal and fluxoid lengths change. The results obtained for the frequency dependence of the noise spectra are entirely consistent with our model for flux motion interrupted by pinning centers, provided one makes the reasonable assumption that the distance between pinning centers which a fluxoid may encounter scales inversely with the fluxoid length. The importance of pinning centers in determining themore » noise characteristics is also demonstrated by the way in which subpulse distributions and generalized bundle sizes are altered by changes in the metallurgical structure of the sample. In unannealed samples the dependence of bundle size on magnetic field orientation is controlled by a structural anisotropy, and we find a correlation between large bundle size and the absence of short subpulse times. Annealing removes this anisotropy, and we find a stronger angular variation of bundle size than would be expected using present simplified models.« less

Planck intermediate results: XLV. Radio spectra of northern extragalactic radio sources

DOE PAGES

Ade, P. A. R.; Aghanim, N.; Aller, H. D.; ...

2016-12-12

Continuum spectra covering centimetre to submillimetre wavelengths are presented in this paper for a northern sample of 104 extragalactic radio sources, mainly active galactic nuclei, based on four-epoch Planck data. The nine Planck frequencies, from 30 to 857 GHz, are complemented by a set of simultaneous ground-based radio observations between 1.1 and 37 GHz. The single-survey Planck data confirm that the flattest high-frequency radio spectral indices are close to zero, indicating that the original accelerated electron energy spectrum is much harder than commonly thought, with power-law index around 1.5 instead of the canonical 2.5. The radio spectra peak at highmore » frequencies and exhibit a variety of shapes. For a small set of low-z sources, we find a spectral upturn at high frequencies, indicating the presence of intrinsic cold dust. Finally, variability can generally be approximated by achromatic variations, while sources with clear signatures of evolving shocks appear to be limited to the strongest outbursts.« less

Planck intermediate results: XLV. Radio spectra of northern extragalactic radio sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ade, P. A. R.; Aghanim, N.; Aller, H. D.

Continuum spectra covering centimetre to submillimetre wavelengths are presented in this paper for a northern sample of 104 extragalactic radio sources, mainly active galactic nuclei, based on four-epoch Planck data. The nine Planck frequencies, from 30 to 857 GHz, are complemented by a set of simultaneous ground-based radio observations between 1.1 and 37 GHz. The single-survey Planck data confirm that the flattest high-frequency radio spectral indices are close to zero, indicating that the original accelerated electron energy spectrum is much harder than commonly thought, with power-law index around 1.5 instead of the canonical 2.5. The radio spectra peak at highmore » frequencies and exhibit a variety of shapes. For a small set of low-z sources, we find a spectral upturn at high frequencies, indicating the presence of intrinsic cold dust. Finally, variability can generally be approximated by achromatic variations, while sources with clear signatures of evolving shocks appear to be limited to the strongest outbursts.« less

Signal Frequency Spectra with Audacity®

ERIC Educational Resources Information Center

Gailey, Alycia

2015-01-01

The primary objective of the activity presented here is to allow students to explore the frequency components of various simple signals, with the ultimate goal of teaching them how to remove unwanted noise from a voice signal. Analysis of the frequency components of a signal allows students to design filters that remove unwanted components of a…

On the analysis of photo-electron spectra

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, C.-Z., E-mail: gao@irsamc.ups-tlse.fr; CNRS, LPT; Dinh, P.M.

2015-09-15

We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in PES reflect the occupied single-particle levels in combination with the given laser frequency. This usual, simple rule may badly fail in the case of excitation pulses with mixed frequencies and if resonant modes of the system are significantly excited. We thus develop an extension of the usual rule to cover all possible excitation scenarios, including mixed frequencies in the attosecond regime. We find thatmore » the spectral distributions of dipole, monopole and quadrupole power for the given excitation taken together and properly shifted by the single-particle energies provide a pertinent picture of the PES in all situations. This leads to the derivation of a generalized relation allowing to understand photo-electron yields even in complex experimental setups.« less

Doppler frequency in interplanetary radar and general relativity

NASA Technical Reports Server (NTRS)

Mcvittie, G. C.

1972-01-01

The change of frequency of an interplanetary radar signal sent from the earth to another planet or to a space probe is worked out according to general relativity. The Schwarzschild spacetime is employed and its null geodesics control the motion of the signals. Exact Doppler frequency formulas are derived for one-way and two-way radar in terms of an arbitrary Schwarzschild radial coordinate. A reduction to the special relativity case is used to interpret the formulas in terms of the relative radial velocity of emitter and target. The general relativity corrections are worked out approximately for each of three possible Schwarzschild radial coordinates, and a numerical example is given. The amount of the correction is different according as one or the other of the Schwarzschild coordinates is identified with the radius vector deduced from classical celestial mechanics. The identification problem is discussed.

Frequency Correction for MIRO Chirp Transformation Spectroscopy Spectrum

NASA Technical Reports Server (NTRS)

Lee, Seungwon

2012-01-01

This software processes the flyby spectra of the Chirp Transform Spectrometer (CTS) of the Microwave Instrument for Rosetta Orbiter (MIRO). The tool corrects the effect of Doppler shift and local-oscillator (LO) frequency shift during the flyby mode of MIRO operations. The frequency correction for CTS flyby spectra is performed and is integrated with multiple spectra into a high signal-to-noise averaged spectrum at the rest-frame RF frequency. This innovation also generates the 8 molecular line spectra by dividing continuous 4,096-channel CTS spectra. The 8 line spectra can then be readily used for scientific investigations. A spectral line that is at its rest frequency in the frame of the Earth or an asteroid will be observed with a time-varying Doppler shift as seen by MIRO. The frequency shift is toward the higher RF frequencies on approach, and toward lower RF frequencies on departure. The magnitude of the shift depends on the flyby velocity. The result of time-varying Doppler shift is that of an observed spectral line will be seen to move from channel to channel in the CTS spectrometer. The direction (higher or lower frequency) in the spectrometer depends on the spectral line frequency under consideration. In order to analyze the flyby spectra, two steps are required. First, individual spectra must be corrected for the Doppler shift so that individual spectra can be superimposed at the same rest frequency for integration purposes. Second, a correction needs to be applied to the CTS spectra to account for the LO frequency shifts that are applied to asteroid mode.

Iterative generalized time-frequency reassignment for planetary gearbox fault diagnosis under nonstationary conditions

NASA Astrophysics Data System (ADS)

Chen, Xiaowang; Feng, Zhipeng

2016-12-01

Planetary gearboxes are widely used in many sorts of machinery, for its large transmission ratio and high load bearing capacity in a compact structure. Their fault diagnosis relies on effective identification of fault characteristic frequencies. However, in addition to the vibration complexity caused by intricate mechanical kinematics, volatile external conditions result in time-varying running speed and/or load, and therefore nonstationary vibration signals. This usually leads to time-varying complex fault characteristics, and adds difficulty to planetary gearbox fault diagnosis. Time-frequency analysis is an effective approach to extracting the frequency components and their time variation of nonstationary signals. Nevertheless, the commonly used time-frequency analysis methods suffer from poor time-frequency resolution as well as outer and inner interferences, which hinder accurate identification of time-varying fault characteristic frequencies. Although time-frequency reassignment improves the time-frequency readability, it is essentially subject to the constraints of mono-component and symmetric time-frequency distribution about true instantaneous frequency. Hence, it is still susceptible to erroneous energy reallocation or even generates pseudo interferences, particularly for multi-component signals of highly nonlinear instantaneous frequency. In this paper, to overcome the limitations of time-frequency reassignment, we propose an improvement with fine time-frequency resolution and free from interferences for highly nonstationary multi-component signals, by exploiting the merits of iterative generalized demodulation. The signal is firstly decomposed into mono-components of constant frequency by iterative generalized demodulation. Time-frequency reassignment is then applied to each generalized demodulated mono-component, obtaining a fine time-frequency distribution. Finally, the time-frequency distribution of each signal component is restored and superposed to

Infrared Spectra of Substituted Polycyclic Aromatic Hydrocarbons

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Hudgins, Douglas M.; Sandford, Scott A.; Allamandola, Louis J.; Arnold, James O. (Technical Monitor)

1997-01-01

Calculations are carried out using density functional theory (DFT) to determine the harmonic frequencies and intensities of 1-methylanthracene, 9-methylanthracene, 9-cyanoanthracene, 2-aminoanthracene, acridine, and their positive ions. The theoretical data are compared with matrix-isolation spectra for these species also reported in this work. The theoretical and experimental frequencies and relative intensities for the neutral species are in generally good agreement, whereas the positive ion spectra are only in qualitative agreement. Relative to anthracene, we find that substitution of amethyl or CN for a hydrogen does not significantly affect the spectrum other than to add the characteristic methyl C-H stretch and C-N stretch (near 2200/cm), respectively. However, addition of NH2 dramatically affects the spectrum of the neutral. Not only are the NH2 modes themselves strong, but this electron withdrawing group induces sufficient partial charge on the ring to give the neutral molecule characteristics of the anthracene cation spectrum. The sum of the absolute intensities is about four times larger for 2-aminoanthracene than for 9-cyanoanthracene. Substituting nitrogen in the ring at the nine position (acridine) does not greatly alter the spectrum compared with anthracene.

Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, L.; Ni, Y.; Drews, S. E. P.

2014-08-28

Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm{sup −1} in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecularmore » interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.« less

Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model.

PubMed

Shi, L; Ni, Y; Drews, S E P; Skinner, J L

2014-08-28

Two intrinsic difficulties in modeling condensed-phase water with conventional rigid non-polarizable water models are: reproducing the static dielectric constants for liquid water and ice Ih, and generating the peak at about 200 cm(-1) in the low-frequency infrared spectrum for liquid water. The primary physical reason for these failures is believed to be the missing polarization effect in these models, and consequently various sophisticated polarizable water models have been developed. However, in this work we pursue a different strategy and propose a simple empirical scheme to include the polarization effect only on the dipole surface (without modifying a model's intermolecular interaction potential). We implement this strategy for our explicit three-body (E3B) model. Our calculated static dielectric constants and low-frequency infrared spectra are in good agreement with experiment for both liquid water and ice Ih over wide temperature ranges, albeit with one fitting parameter for each phase. The success of our modeling also suggests that thermal fluctuations about local minima and the energy differences between different proton-disordered configurations play minor roles in the static dielectric constant of ice Ih. Our analysis shows that the polarization effect is important in resolving the two difficulties mentioned above and sheds some light on the origin of several features in the low-frequency infrared spectra for liquid water and ice Ih.

Radio synchrotron spectra of star-forming galaxies

NASA Astrophysics Data System (ADS)

Klein, U.; Lisenfeld, U.; Verley, S.

2018-03-01

We investigated the radio continuum spectra of 14 star-forming galaxies by fitting nonthermal (synchrotron) and thermal (free-free) radiation laws. The underlying radio continuum measurements cover a frequency range of 325 MHz to 24.5 GHz (32 GHz in case of M 82). It turns out that most of these synchrotron spectra are not simple power-laws, but are best represented by a low-frequency spectrum with a mean slope αnth = 0.59 ± 0.20 (Sν ∝ ν-α), and by a break or an exponential decline in the frequency range of 1-12 GHz. Simple power-laws or mildly curved synchrotron spectra lead to unrealistically low thermal flux densities, and/or to strong deviations from the expected optically thin free-free spectra with slope αth = 0.10 in the fits. The break or cutoff energies are in the range of 1.5-7 GeV. We briefly discuss the possible origin of such a cutoff or break. If the low-frequency spectra obtained here reflect the injection spectrum of cosmic-ray electrons, they comply with the mean spectral index of Galactic supernova remnants. A comparison of the fitted thermal flux densities with the (foreground-corrected) Hα fluxes yields the extinction, which increases with metallicity. The fraction of thermal emission is higher than believed hitherto, especially at high frequencies, and is highest in the dwarf galaxies of our sample, which we interpret in terms of a lack of containment in these low-mass systems, or a time effect caused by a very young starburst.

Event terms in the response spectra prediction equation and their deviation due to stress drop variations

NASA Astrophysics Data System (ADS)

Kawase, H.; Nakano, K.

2015-12-01

We investigated the characteristics of strong ground motions separated from acceleration Fourier spectra and acceleration response spectra of 5% damping calculated from weak and moderate ground motions observed by K-NET, KiK-net, and the JMA Shindokei Network in Japan using the generalized spectral inversion method. The separation method used the outcrop motions at YMGH01 as reference where we extracted site responses due to shallow weathered layers. We include events with JMA magnitude equal to or larger than 4.5 observed from 1996 to 2011. We find that our frequency-dependent Q values are comparable to those of previous studies. From the corner frequencies of Fourier source spectra, we calculate Brune's stress parameters and found a clear magnitude dependence, in which smaller events tend to spread over a wider range while maintaining the same maximum value. We confirm that this is exactly the case for several mainshock-aftershock sequences. The average stress parameters for crustal earthquakes are much smaller than those of subduction zone, which can be explained by their depth dependence. We then compared the strong motion characteristics based on the acceleration response spectra and found that the separated characteristics of strong ground motions are different, especially in the lower frequency range less than 1Hz. These differences comes from the difference between Fourier spectra and response spectra found in the observed data; that is, predominant components in high frequency range of Fourier spectra contribute to increase the response in lower frequency range with small Fourier amplitude because strong high frequency component acts as an impulse to a Single-Degree-of-Freedom system. After the separation of the source terms for 5% damping response spectra we can obtain regression coefficients with respect to the magnitude, which lead to a new GMPE as shown in Fig.1 on the left. Although stress drops for inland earthquakes are 1/7 of the subduction

An analysis of short pulse and dual frequency radar techniques for measuring ocean wave spectra from satellites

NASA Technical Reports Server (NTRS)

Jackson, F. C.

1980-01-01

Scanning beam microwave radars were used to measure ocean wave directional spectra from satellites. In principle, surface wave spectral resolution in wave number can be obtained using either short pulse (SP) or dual frequency (DF) techniques; in either case, directional resolution obtains naturally as a consequence of a Bragg-like wave front matching. A four frequency moment characterization of backscatter from the near vertical using physical optics in the high frequency limit was applied to an analysis of the SP and DF measurement techniques. The intrinsic electromagnetic modulation spectrum was to the first order in wave steepness proportional to the large wave directional slope spectrum. Harmonic distortion was small and was a minimum near 10 deg incidence. NonGaussian wave statistics can have an effect comparable to that in the second order of scattering from a normally distributed sea surface. The SP technique is superior to the DF technique in terms of measurement signal to noise ratio and contrast ratio.

Acceleration spectra for subduction zone earthquakes

USGS Publications Warehouse

Boatwright, J.; Choy, G.L.

1989-01-01

We estimate the source spectra of shallow earthquakes from digital recordings of teleseismic P wave groups, that is, P+pP+sP, by making frequency dependent corrections for the attenuation and for the interference of the free surface. The correction for the interference of the free surface assumes that the earthquake radiates energy from a range of depths. We apply this spectral analysis to a set of 12 subduction zone earthquakes which range in size from Ms = 6.2 to 8.1, obtaining corrected P wave acceleration spectra on the frequency band from 0.01 to 2.0 Hz. Seismic moment estimates from surface waves and normal modes are used to extend these P wave spectra to the frequency band from 0.001 to 0.01 Hz. The acceleration spectra of large subduction zone earthquakes, that is, earthquakes whose seismic moments are greater than 1027 dyn cm, exhibit intermediate slopes where u(w)???w5/4 for frequencies from 0.005 to 0.05 Hz. For these earthquakes, spectral shape appears to be a discontinuous function of seismic moment. Using reasonable assumptions for the phase characteristics, we transform the spectral shape observed for large earthquakes into the time domain to fit Ekstrom's (1987) moment rate functions for the Ms=8.1 Michoacan earthquake of September 19, 1985, and the Ms=7.6 Michoacan aftershock of September 21, 1985. -from Authors

Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Nitrogen Substitution

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W.; Arnold, James O. (Technical Monitor)

1998-01-01

The B3LYP/4-31G approach is used to compute the harmonic frequencies of substituted naphthalene, anthracene, and their cations. The substitutions include cyano (CN), aminio (NH2), imino (NH), and replacement of a CH group by a nitrogen atom. All unique sites are considered, namely 1 and 2 for naphthalene and 1, 2, and 9 for an'tracene, except for the imino, where only 2-iminonaphthalene is studied. The IR spectra of these substituted species are compared with those of the unsubstituted molecules. The addition of a CN group does not significantly affect the spectra except to add the CN stretching frequency. Replacing a CH group by N has only a small effect on the IR spectra. The addition of the NH2 group dramatically affects the neutral spectra, giving it much of the character of the cation spectra. However, the neutral 2-irrinonaphthalene spectra looks more like that of naphthalene than like the 2-aminonaphthalene spectra.

The ratio between corner frequencies of source spectra of P- and S-waves—a new discriminant between earthquakes and quarry blasts

NASA Astrophysics Data System (ADS)

Ataeva, G.; Gitterman, Y.; Shapira, A.

2017-01-01

This study analyzes and compares the P- and S-wave displacement spectra from local earthquakes and explosions of similar magnitudes. We propose a new approach to discrimination between low-magnitude shallow earthquakes and explosions by using ratios of P- to S-wave corner frequencies as a criterion. We have explored 2430 digital records of the Israeli Seismic Network (ISN) from 456 local events (226 earthquakes, 230 quarry blasts, and a few underwater explosions) of magnitudes Md = 1.4-3.4, which occurred at distances up to 250 km during 2001-2013 years. P-wave and S-wave displacement spectra were computed for all events following Brune's source model of earthquakes (1970, 1971) and applying the distance correction coefficients (Shapira and Hofstetter, Teconophysics 217:217-226, 1993; Ataeva G, Shapira A, Hofstetter A, J Seismol 19:389-401, 2015), The corner frequencies and moment magnitudes were determined using multiple stations for each event, and then the comparative analysis was performed.

Comparison of remotely sensed continental-shelf wave spectra with spectra computed by using a wave refraction computer model

NASA Technical Reports Server (NTRS)

Poole, L. R.

1976-01-01

An initial attempt was made to verify the Langley Research Center and Virginia Institute of Marine Science mid-Atlantic continental-shelf wave refraction model. The model was used to simulate refraction occurring during a continental-shelf remote sensing experiment conducted on August 17, 1973. Simulated wave spectra compared favorably, in a qualitative sense, with the experimental spectra. However, it was observed that most of the wave energy resided at frequencies higher than those for which refraction and shoaling effects were predicted, In addition, variations among the experimental spectra were so small that they were not considered statistically significant. In order to verify the refraction model, simulation must be performed in conjunction with a set of significantly varying spectra in which a considerable portion of the total energy resides at frequencies for which refraction and shoaling effects are likely.

Directional Wave Spectra Observed During Intense Tropical Cyclones

NASA Astrophysics Data System (ADS)

Collins, C. O.; Potter, H.; Lund, B.; Tamura, H.; Graber, H. C.

2018-02-01

Two deep-sea moorings were deployed 780 km off the coast of southern Taiwan for 4-5 months during the 2010 typhoon season. Directional wave spectra, wind speed and direction, and momentum fluxes were recorded on two Extreme Air-Sea Interaction buoys during the close passage of Severe Tropical Storm Dianmu and three tropical cyclones (TCs): Typhoon Fanapi, Super Typhoon Megi, and Typhoon Chaba. Conditions sampled include significant wave heights up to 11 m and wind speeds up to 26 m s-1. Details varied for large-scale spectral structure in frequency and direction but were mostly bimodal. The modes were generally composed of a swell system emanating from the most intense storm region and local wind-seas. The peak systems were consistently young, meaning actively forced by winds, when the storms were close. During the peaks of the most intense passages—Chaba at the northern mooring and Megi at the southern—the bimodal seas coalesced. During Chaba, the swell and wind-sea coupling directed the high frequency waves and the wind stress away from the wind direction. A spectral wave model was able reproduce many of the macrofeatures of the directional spectra.

Moment-Tensor Spectra of Source Physics Experiments (SPE) Explosions in Granite

NASA Astrophysics Data System (ADS)

Yang, X.; Cleveland, M.

2016-12-01

We perform frequency-domain moment tensor inversions of Source Physics Experiments (SPE) explosions conducted in granite during Phase I of the experiment. We test the sensitivity of source moment-tensor spectra to factors such as the velocity model, selected dataset and smoothing and damping parameters used in the inversion to constrain the error bound of inverted source spectra. Using source moments and corner frequencies measured from inverted source spectra of these explosions, we develop a new explosion P-wave source model that better describes observed source spectra of these small and over-buried chemical explosions detonated in granite than classical explosion source models derived mainly from nuclear-explosion data. In addition to source moment and corner frequency, we analyze other features in the source spectra to investigate their physical causes.

Efficient and optimized identification of generalized Maxwell viscoelastic relaxation spectra

PubMed Central

Babaei, Behzad; Davarian, Ali; Pryse, Kenneth M.; Elson, Elliot L.; Genin, Guy M.

2017-01-01

Viscoelastic relaxation spectra are essential for predicting and interpreting the mechanical responses of materials and structures. For biological tissues, these spectra must usually be estimated from viscoelastic relaxation tests. Interpreting viscoelastic relaxation tests is challenging because the inverse problem is expensive computationally. We present here an efficient algorithm that enables rapid identification of viscoelastic relaxation spectra. The algorithm was tested against trial data to characterize its robustness and identify its limitations and strengths. The algorithm was then applied to identify the viscoelastic response of reconstituted collagen, revealing an extensive distribution of viscoelastic time constants. PMID:26523785

Efficient and optimized identification of generalized Maxwell viscoelastic relaxation spectra.

PubMed

Babaei, Behzad; Davarian, Ali; Pryse, Kenneth M; Elson, Elliot L; Genin, Guy M

2015-03-01

Viscoelastic relaxation spectra are essential for predicting and interpreting the mechanical responses of materials and structures. For biological tissues, these spectra must usually be estimated from viscoelastic relaxation tests. Interpreting viscoelastic relaxation tests is challenging because the inverse problem is expensive computationally. We present here an efficient algorithm that enables rapid identification of viscoelastic relaxation spectra. The algorithm was tested against trial data to characterize its robustness and identify its limitations and strengths. The algorithm was then applied to identify the viscoelastic response of reconstituted collagen, revealing an extensive distribution of viscoelastic time constants. Copyright © 2015 Elsevier Ltd. All rights reserved.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesian derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C-H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mackie, Cameron J., E-mail: mackie@strw.leidenuniv.nl; Candian, Alessandra; Tielens, Alexander G. G. M.

2015-12-14

Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesianmore » derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C–H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.« less

Characteristics of magnetospheric radio noise spectra

NASA Technical Reports Server (NTRS)

Herman, J. R.

1976-01-01

Magnetospheric radio noise spectra (30 kHz to 10 MHz) taken by IMP-6 and RAE-2 exhibit time-varying characteristics which are related to spacecraft position and magnetospheric processes. In the mid-frequency range (100-1,000 kHz) intense noise peaks rise by a factor of 100 or more above background; 80% of the peak frequencies are within the band 125 kHz to 600 kHz, and the peak occurs most often (18% of the time) at 280 kHz. This intense mid-frequency noise has been detected at radial distances from 1.3 Re to 60 Re on all sides of the Earth during magnetically quiet as well as disturbed periods. Maximum occurrence of the mid-frequency noise is in the evening to midnight hours where splash-type energetic particle precipitation takes place. ""Magnetospheric lightning'' can be invoked to explain the spectral shape of the observed spectra.

Wavelet theory applied to the study of spectra of trans-Neptunian objects

NASA Astrophysics Data System (ADS)

Souza-Feliciano, A. C.; Alvarez-Candal, A.; Jiménez-Teja, Y.

2018-06-01

Context. Reflection spectroscopy in the near-infrared (NIR) is used to investigate the surface composition of trans-Neptunian objects (TNOs). In general, these spectra are difficult to interpret due to the low apparent brightness of the TNOs, causing low signal-to-noise ratio even in spectra obtained with the largest telescopes available on Earth, making it necessary to use filtering techniques to analyze and interpret them. Aims: The purpose of this paper is to present a methodology to analyze the spectra of TNOs. Specifically, our aim was to filter these spectra in the best possible way: maximizing noise removal, while minimizing the loss of signal. Methods: We used wavelets to filter the spectra. Wavelets are a mathematical tool that decompose the signal into its constituent parts, allowing us to analyze the data in different areas of frequencies with the resolution of each component tied to its scale. To check the reliability of our method, we compared the filtered spectra with the spectra of water and methanol ices to identify some common structures between them. Results: Of the 50 TNOs in our sample, we identify traces of water ices and methanol in the spectra of several of them, some with previous reports, while for other objects there were no previous reports. Conclusions: We conclude that the wavelet technique is successful in filtering spectra of TNOs.

Solvent effect on the vibrational spectra of Carvedilol.

PubMed

Billes, Ferenc; Pataki, Hajnalka; Unsalan, Ozan; Mikosch, Hans; Vajna, Balázs; Marosi, György

2012-09-01

Carvedilol (CRV) is an important medicament for heart arrhythmia. The aim of this work was the interpretation of its vibrational spectra with consideration on the solvent effect. Infrared and Raman spectra were recorded in solid state as well in solution. The experimental spectra were evaluated using DFT quantum chemical calculations computing the optimized structure, atomic net charges, vibrational frequencies and force constants. The same calculations were done for the molecule in DMSO and aqueous solutions applying the PCM method. The calculated force constants were scaled to the experimentally observed solid state frequencies. The characters of the vibrational modes were determined by their potential energy distributions. Solvent effects on the molecular properties were interpreted. Based on these results vibrational spectra were simulated. Copyright © 2012 Elsevier B.V. All rights reserved.

General interference law for nonstationary, separable optical fields.

PubMed

Manea, Vladimir

2009-09-01

An approach to the theory of partial coherence for nonstationary optical fields is presented. Starting with a spectral representation, a favorable decomposition of the optical signals is discussed that supports a natural extension of the mathematical formalism. The coherence functions are redefined, but still as temporal correlation functions, allowing the obtaining of a more general form of the interference law for partially coherent optical signals. The general theory is applied in some relevant particular cases of nonstationary interference, namely, with quasi-monochromatic beams of different frequencies and with phase-modulated quasi-monochromatic beams of similar frequency spectra. All the results of the general treatment are reducible to the ones given in the literature for the case of stationary interference.

Optical image and laser slope meter intercomparisons of high-frequency waves

NASA Technical Reports Server (NTRS)

Lubard, S. C.; Krimmel, J. E.; Thebaud, L. R.; Evans, D. D.; Shemdin, O. H.

1980-01-01

Spectral analyses of optical images of the ocean surface, obtained by a digital video system, are presented and compared with wave data measured simultaneously by the JPL Waverider-mounted laser slope meter. The image analyses, which incorporate several new ideas, provide two-dimensional wave number spectra of slope, covering wavelengths from 10 cm to 10 m. These slope spectra are converted to wave height spectra by a new technique which includes the effects of sky radiance gradients. Space-time spectra are also presented for waves whose frequencies are less than 2 Hz. The JPL slope frequency spectra are compared with image wave number spectra which have been converted to frequency spectra by use of the gravity wave dispersion relation. Results of comparisons between the frequency spectra obtained from the two different measurements show reasonable agreement for frequencies less than 3 Hz.

iMARS--mutation analysis reporting software: an analysis of spontaneous cII mutation spectra.

PubMed

Morgan, Claire; Lewis, Paul D

2006-01-31

The sensitivity of any mutational assay is determined by the level at which spontaneous mutations occur in the corresponding untreated controls. Establishing the type and frequency at which mutations occur naturally within a test system is essential if one is to draw scientifically sound conclusions regarding chemically induced mutations. Currently, mutation-spectra analysis is laborious and time-consuming. Thus, we have developed iMARS, a comprehensive mutation-spectrum analysis package that utilises routinely used methodologies and visualisation tools. To demonstrate the use and capabilities of iMARS, we have analysed the distribution, types and sequence context of spontaneous base substitutions derived from the cII gene mutation assay in transgenic animals. Analysis of spontaneous mutation spectra revealed variation both within and between the transgenic rodent test systems Big Blue Mouse, MutaMouse and Big Blue Rat. The most common spontaneous base substitutions were G:C-->A:T transitions and G:C-->T:A transversions. All Big Blue Mouse spectra were significantly different from each other by distribution and nearly all by mutation type, whereas the converse was true for the other test systems. Twenty-eight mutation hotspots were observed across all spectra generally occurring in CG, GA/TC, GG and GC dinucleotides. A mutation hotspot at nucleotide 212 occurred at a higher frequency in MutaMouse and Big Blue Rat. In addition, CG dinucleotides were the most mutable in all spectra except two Big Blue Mouse spectra. Thus, spontaneous base-substitution spectra showed more variation in distribution, type and sequence context in Big Blue Mouse relative to spectra derived from MutaMouse and Big Blue Rat. The results of our analysis provide a baseline reference for mutation studies utilising the cII gene in transgenic rodent models. The potential differences in spontaneous base-substitution spectra should be considered when making comparisons between these test systems

The spectra and periodograms of anti-correlated discrete fractional Gaussian noise.

PubMed

Raymond, G M; Percival, D B; Bassingthwaighte, J B

2003-05-01

Discrete fractional Gaussian noise (dFGN) has been proposed as a model for interpreting a wide variety of physiological data. The form of actual spectra of dFGN for frequencies near zero varies as f(1-2H), where 0 < H < 1 is the Hurst coefficient; however, this form for the spectra need not be a good approximation at other frequencies. When H approaches zero, dFGN spectra exhibit the 1 - 2H power-law behavior only over a range of low frequencies that is vanishingly small. When dealing with a time series of finite length drawn from a dFGN process with unknown H, practitioners must deal with estimated spectra in lieu of actual spectra. The most basic spectral estimator is the periodogram. The expected value of the periodogram for dFGN with small H also exhibits non-power-law behavior. At the lowest Fourier frequencies associated with a time series of N values sampled from a dFGN process, the expected value of the periodogram for H approaching zero varies as f(0) rather than f(1-2H). For finite N and small H, the expected value of the periodogram can in fact exhibit a local power-law behavior with a spectral exponent of 1 - 2H at only two distinct frequencies.

Study of RCR Catalogue Radio Source Integral Spectra

NASA Astrophysics Data System (ADS)

Zhelenkova, O. P.; Majorova, E. K.

2018-04-01

We present the characteristics of the sources found on the averaged scans of the "Cold" experiment 1980-1999 surveys in the right-ascension interval 2h< RA < 7h. Thereby, a refinement of the parameters of the RC catalog sources (RATANCold) for this interval is complete. To date, the RCR catalog (RATAN Cold Refined) covers the right-ascension interval 2h< RA < 17h and includes 830 sources. The spectra are built for them with the use of new data in the range of 70-230 MHz. The dependence between the spectral indices α 0.5, α 3.94 and integral flux density at the frequencies of 74 and 150 MHz, at 1.4, 3.94 and 4.85 GHz is discussed.We found that at 150 MHz in most sources the spectral index α 0.5 gets steeper with increasing flux density. In general, the sources with flat spectra are weaker in terms of flux density than the sources with steep spectra, which especially differs at 150 MHz. We believe that this is due to the brightness of their extended components, which can be determined by the type of accretion and the neighborhood of the source.

Raman spectra of thiolated arsenicals with biological importance.

PubMed

Yang, Mingwei; Sun, Yuzhen; Zhang, Xiaobin; McCord, Bruce; McGoron, Anthony J; Mebel, Alexander; Cai, Yong

2018-03-01

Surface enhanced Raman scattering (SERS) has great potential as an alternative tool for arsenic speciation in biological matrices. SERS measurements have advantages over other techniques due to its ability to maintain the integrity of arsenic species and its minimal requirements for sample preparation. Up to now, very few Raman spectra of arsenic compounds have been reported. This is particularly true for thiolated arsenicals, which have recently been found to be widely present in humans. The lack of data for Raman spectra in arsenic speciation hampers the development of new tools using SERS. Herein, we report the results of a study combining the analysis of experimental Raman spectra with that obtained from density functional calculations for some important arsenic metabolites. The results were obtained with a hybrid functional B3LYP approach using different basis sets to calculate Raman spectra of the selected arsenicals. By comparing experimental and calculated spectra of dimethylarsinic acid (DMA V ), the basis set 6-311++G** was found to provide computational efficiency and precision in vibrational frequency prediction. The Raman frequencies for the rest of organoarsenicals were studied using this basis set, including monomethylarsonous acid (MMA III ), dimethylarsinous acid (DMA III ), dimethylmonothioarinic acid (DMMTA V ), dimethyldithioarsinic acid (DMDTA V ), S-(Dimethylarsenic) cysteine (DMA III (Cys)) and dimethylarsinous glutathione (DMA III GS). The results were compared with fingerprint Raman frequencies from As─O, As─C, and As─S obtained under different chemical environments. These fingerprint vibrational frequencies should prove useful in future measurements of different species of arsenic using SERS. Copyright © 2017 Elsevier B.V. All rights reserved.

Cleaning HI Spectra Contaminated by GPS RFI

NASA Astrophysics Data System (ADS)

Sylvia, Kamin; Hallenbeck, Gregory L.; Undergraduate ALFALFA Team

2016-01-01

The NUDET systems aboard GPS satellites utilize radio waves to communicate information regarding surface nuclear events. The system tests appear in spectra as RFI (radio frequency interference) at 1381MHz, which contaminates observations of extragalactic HI (atomic hydrogen) signals at 50-150 Mpc. Test durations last roughly 20-120 seconds and can occur upwards of 30 times during a single night of observing. The disruption essentially renders the corresponding HI spectra useless.We present a method that automatically removes RFI in HI spectra caused by these tests. By capitalizing on the GPS system's short test durations and predictable frequency appearance we are able to devise a method of identifying times containing compromised data records. By reevaluating the remaining data, we are able to recover clean spectra while sacrificing little in terms of sensitivity to extragalactic signals. This method has been tested on 500+ spectra taken by the Undergraduate ALFALFA Team (UAT), in which it successfully identified and removed all sources of GPS RFI. It will also be used to eliminate RFI in the upcoming Arecibo Pisces-Perseus Supercluster Survey (APPSS).This work has been supported by NSF grant AST-1211005.

Fourier spectra of resonant nuclear forward scattering: lineshape dependence on absorber thickness distribution

NASA Astrophysics Data System (ADS)

Rykov, A. I.; Nomura, K.; Wang, J.

2013-08-01

We report on recent developments in the analysis of nuclear forward scattering (NFS) using the Fourier transformation of measured time spectra. In the frequency domain, it is shown that the lineshape is generally described by the convolution of two intensity factors. One of them is Lorentzian related to free decay. We derived the expressions for the second factor related to the Frenkel exciton polariton formed in Mössbauer media. For stray particles of a powder spread over a 2D surface the particle size distribution can be derived from Mössbauer thickness distribution. The thickness-related lineshape is deconvolved through sharpening the Fourier NFS spectra. The lineshapes in these sharpened spectra are theoretically expressed via the parameters of the particle size distributions. Through fitting the lineshapes with our theoretical expressions the particle size distribution parameters were determined.

Structures and vibrational spectra of pinacol.. 1. Infrared and matrix infrared spectra of monomeric pinacol. Ab initio calculations on conformers and vibrational frequencies

NASA Astrophysics Data System (ADS)

Dahlqvist, Martti; Hotokka, Matti; Räsänen, Markku

1998-04-01

The infrared spectra of monomeric pinacol molecules (2,3-dimethyl-2,3-butanediol; (CH 3) 2C(OH)C(OH)(CH 3) 2) have been recorded in the gas phase and dilute nonpolar solutions, and in an argon matrix. The vibrational data are consistent with the intramolecularly hydrogen-bonded G-type (gauche with respect to the central C-C bond) conformers and there is no evidence for the T-type (trans with respect to the central C-C bond) conformers, which have been observed in the condensed phases. This was confirmed by studying the infrared region 835-815 cm -1, which was found to be the most indicative to show spectral changes within the type of the conformers. In this region the band of the T-type conformers (assigned to the hybridized asymmetric vibration of the central CC and CO stretching modes) disappears when going from the condensed phases to phases, where pinacol molecules are monomeric. Ab initio HF/6-311G** (MP2/6-311G**) calculations support the experimental findings; the calculated relative energies for the tGg', gGg', g'Gg', tTt, and gTg' conformers are 0.0 (0.0), 3.4 (3.4), 5.1 (5.9), 7.9 (11.3), and 12.0 (14.0) kJ mol -1, respectively. Consequently, only the G-type conformers are sufficiently populated to give rise to observable spectral lines. Both experimental findings and theoretical calculations demonstrated that the bands in the argon matrix spectrum of pinacol are due to the most stable tGg' conformer. Although the ab initio calculations predict that also the gGg' and g'Gg' conformers are present in the gas phase and in dilute nonpolar solutions their existence could not be confirmed experimentally. Hence, we conclude that the conformation sensitive bands may coincide in the spectra. The HF/6-311G** ab initio calculations for vibrational frequencies of pinacol are consistent with this conclusion, suggesting only small differences between the wavenumbers of the G-type conformers. Pinacol does not show infrared-induced photorotamerization in the low

The IR Absorption Spectra of Aqueous Solutions of Dimethylsulfoxide over the Frequency Range 50-300 cm-1 and the Mobility of Water Molecules

NASA Astrophysics Data System (ADS)

Klemenkova, Z. S.; Novskova, T. A.; Lyashchenko, A. K.

2008-04-01

The IR absorption spectra of aqueous solutions of dimethylsulfoxide (DMSO) with concentrations from 100% H2O to 100% DMSO were recorded over the frequency range 50-500 cm-1. The absorption spectra were described using the theoretical scheme of hindered rotators. A model was developed according to which orientation relaxation in solution was related to separate rotations of H2O and DMSO molecules through fixed small and (or) large angles in a unified network of H-bonds consisting of several subsystems ordered to various degrees. The calculated absorption spectra were in agreement with the experimental data in the far IR region. Elementary motions of molecules were found to slow down in the passage from pure dimethylsulfoxide to its aqueous solutions. The special features of the hydrophilic and hydrophobic hydration of DMSO polar and nonpolar groups were considered.

Track Structure Model for Radial Distributions of Electron Spectra and Event Spectra from High-Energy Ions

NASA Technical Reports Server (NTRS)

Cucinotta, F. A.; Katz, R.; Wilson, J. W.

1998-01-01

An analytic method is described for evaluating the average radial electron spectrum and the radial and total frequency-event spectrum for high-energy ions. For high-energy ions, indirect events make important contributions to frequency-event spectra. The method used for evaluating indirect events is to fold the radial electron spectrum with measured frequency-event spectrum for photons or electrons. The contribution from direct events is treated using a spatially restricted linear energy transfer (LET). We find that high-energy heavy ions have a significantly reduced frequency-averaged final energy (yF) compared to LET, while relativistic protons have a significantly increased yF and dose-averaged lineal energy (yD) for typical site sizes used in tissue equivalent proportional counters. Such differences represent important factors in evaluating event spectra with laboratory beams, in space- flight, or in atmospheric radiation studies and in validation of radiation transport codes. The inadequacy of LET as descriptor because of deviations in values of physical quantities, such as track width, secondary electron spectrum, and yD for ions of identical LET is also discussed.

Anisotropic spectra of acoustic type turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuznetsov, E.; P.N. Lebedev Physical Institute, 53 Leninsky Ave., 119991 Moscow; Krasnoselskikh, V.

2008-06-15

The problem of spectra for acoustic type of turbulence generated by shocks being randomly distributed in space is considered. It is shown that for turbulence with a weak anisotropy, such spectra have the same dependence in k-space as the Kadomtsev-Petviashvili spectrum: E(k){approx}k{sup -2}. However, the frequency spectrum has always the falling {approx}{omega}{sup -2}, independent of anisotropy. In the strong anisotropic case the energy distribution relative to wave vectors takes anisotropic dependence, forming in the large-k region spectra of the jet type.

Multivariate cross-frequency coupling via generalized eigendecomposition

PubMed Central

Cohen, Michael X

2017-01-01

This paper presents a new framework for analyzing cross-frequency coupling in multichannel electrophysiological recordings. The generalized eigendecomposition-based cross-frequency coupling framework (gedCFC) is inspired by source-separation algorithms combined with dynamics of mesoscopic neurophysiological processes. It is unaffected by factors that confound traditional CFC methods—such as non-stationarities, non-sinusoidality, and non-uniform phase angle distributions—attractive properties considering that brain activity is neither stationary nor perfectly sinusoidal. The gedCFC framework opens new opportunities for conceptualizing CFC as network interactions with diverse spatial/topographical distributions. Five specific methods within the gedCFC framework are detailed, these are validated in simulated data and applied in several empirical datasets. gedCFC accurately recovers physiologically plausible CFC patterns embedded in noise that causes traditional CFC methods to perform poorly. The paper also demonstrates that spike-field coherence in multichannel local field potential data can be analyzed using the gedCFC framework, which provides significant advantages over traditional spike-field coherence analyses. Null-hypothesis testing is also discussed. DOI: http://dx.doi.org/10.7554/eLife.21792.001 PMID:28117662

Interference effects in the sum frequency generation spectra of thin organic films. II: Applications to different thin-film systems.

PubMed

Tong, Yujin; Zhao, Yanbao; Li, Na; Ma, Yunsheng; Osawa, Masatoshi; Davies, Paul B; Ye, Shen

2010-07-21

In this paper, the results of the modeling calculations carried out for predicting the interference effects expected in the sum frequency generation (SFG) spectra of a specific thin-layer system, described in the accompanying paper, are tested by comparing them with the experimental spectra obtained for a real thin-layer film comprising an organic monolayer/variable thickness dielectric layer/gold substrate. In this system, two contributions to the SFG spectra arise, a resonant contribution from the organic film and a nonresonant contribution from the gold substrate. The modeling calculations are in excellent agreement with the experimental spectra over a wide range of thicknesses and for different polarization combinations. The introduction of another resonant monolayer adjacent to the gold substrate and with the molecules having a reverse orientation has a significant affect on the spectral shapes which is predicted. If a dielectric substrate such as CaF(2) is used instead of a gold substrate, only the spectral intensities vary with the film thickness but not the spectral shapes. The counterpropagating beam geometry will change both the thickness dependent spectral shapes and the intensity of different vibrational modes in comparison with a copropagating geometry. The influences of these experimental factors, i.e., the molecular orientational structure in the thin film, the nature of the substrate, and the selected incident beam geometry, on the experimental SFG spectra are quantitatively predicted by the calculations. The thickness effects on the signals from a SFG active monolayer contained in a thin liquid-layer cell of the type frequently used for in situ electrochemical measurements is also discussed. The modeling calculation is also valid for application to other thin-film systems comprising more than two resonant SFG active interfaces by appropriate choice of optical geometries and relevant optical properties.

Uncertainty in least-squares fits to the thermal noise spectra of nanomechanical resonators with applications to the atomic force microscope.

PubMed

Sader, John E; Yousefi, Morteza; Friend, James R

2014-02-01

Thermal noise spectra of nanomechanical resonators are used widely to characterize their physical properties. These spectra typically exhibit a Lorentzian response, with additional white noise due to extraneous processes. Least-squares fits of these measurements enable extraction of key parameters of the resonator, including its resonant frequency, quality factor, and stiffness. Here, we present general formulas for the uncertainties in these fit parameters due to sampling noise inherent in all thermal noise spectra. Good agreement with Monte Carlo simulation of synthetic data and measurements of an Atomic Force Microscope (AFM) cantilever is demonstrated. These formulas enable robust interpretation of thermal noise spectra measurements commonly performed in the AFM and adaptive control of fitting procedures with specified tolerances.

Theoretical infrared spectra of some model polycyclic aromatic hydrocarbons - Effect of ionization

NASA Technical Reports Server (NTRS)

De Frees, D. J.; Miller, M. D.; Talbi, D.; Pauzat, F.; Ellinger, Y.

1993-01-01

In order to test the hypothesis of ionized PAHs as possible carriers of the UIR bands, we realized a computational exploration on selected PAHs of small dimension in order to identify which changes ionization would induce on their IR spectra. In this study we performed ab initio calculations of the spectra of neutral and positively ionized naphthalene, anthracene, and pyrene. The results are significantly important. The frequencies in the cations are slightly shifted with respect to the neutral species, but no general conclusion can be reached from the three molecules considered. By contrast, the relative intensities of most vibrations are strongly affected by ionization, leading to a much better agreement between the calculated CH/CC vibration intensity ratios and those deduced from observations.

Huntington disease reduced penetrance alleles occur at high frequency in the general population

PubMed Central

Kay, Chris; Collins, Jennifer A.; Miedzybrodzka, Zosia; Madore, Steven J.; Gordon, Erynn S.; Gerry, Norman; Davidson, Mark; Slama, Ramy A.

2016-01-01

Objective: To directly estimate the frequency and penetrance of CAG repeat alleles associated with Huntington disease (HD) in the general population. Methods: CAG repeat length was evaluated in 7,315 individuals from 3 population-based cohorts from British Columbia, the United States, and Scotland. The frequency of ≥36 CAG alleles was assessed out of a total of 14,630 alleles. The general population frequency of reduced penetrance alleles (36–39 CAG) was compared to the prevalence of patients with HD with genetically confirmed 36–39 CAG from a multisource clinical ascertainment in British Columbia, Canada. The penetrance of 36–38 CAG repeat alleles for HD was estimated for individuals ≥65 years of age and compared against previously reported clinical penetrance estimates. Results: A total of 18 of 7,315 individuals had ≥36 CAG, revealing that approximately 1 in 400 individuals from the general population have an expanded CAG repeat associated with HD (0.246%). Individuals with CAG 36–37 genotypes are the most common (36, 0.096%; 37, 0.082%; 38, 0.027%; 39, 0.000%; ≥40, 0.041%). General population CAG 36–38 penetrance rates are lower than penetrance rates extrapolated from clinical cohorts. Conclusion: HD alleles with a CAG repeat length of 36–38 occur at high frequency in the general population. The infrequent diagnosis of HD at this CAG length is likely due to low penetrance. Another important contributing factor may be reduced ascertainment of HD in those of older age. PMID:27335115

A Generalized Fast Frequency Sweep Algorithm for Coupled Circuit-EM Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rockway, J D; Champagne, N J; Sharpe, R M

2004-01-14

Frequency domain techniques are popular for analyzing electromagnetics (EM) and coupled circuit-EM problems. These techniques, such as the method of moments (MoM) and the finite element method (FEM), are used to determine the response of the EM portion of the problem at a single frequency. Since only one frequency is solved at a time, it may take a long time to calculate the parameters for wideband devices. In this paper, a fast frequency sweep based on the Asymptotic Wave Expansion (AWE) method is developed and applied to generalized mixed circuit-EM problems. The AWE method, which was originally developed for lumped-loadmore » circuit simulations, has recently been shown to be effective at quasi-static and low frequency full-wave simulations. Here it is applied to a full-wave MoM solver, capable of solving for metals, dielectrics, and coupled circuit-EM problems.« less

Experimental diagnostics and modeling of inductive phenomena at low frequencies in impedance spectra of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Pivac, Ivan; Šimić, Boris; Barbir, Frano

2017-10-01

Representation of fuel cell processes by equivalent circuit models, involving resistance and capacitance elements representing activation losses on both anode and cathode in series with resistance representing ohmic losses, cannot capture and explain the inductive loop that may show up at low frequencies in Nyquist diagram representation of the electrochemical impedance spectra. In an attempt to explain the cause of the low-frequency inductive loop and correlate it with the processes within the fuel cell electrodes, a novel equivalent circuit model of a Proton Exchange Membrane (PEM) fuel cell has been proposed and experimentally verified here in detail. The model takes into account both the anode and the cathode, and has an additional resonant loop on each side, comprising of a resistance, capacitance and inductance in parallel representing the processes within the catalyst layer. Using these additional circuit elements, more accurate and better fits to experimental impedance data in the wide frequency range at different current densities, cell temperatures, humidity of gases, air flow stoichiometries and backpressures were obtained.

Beat frequency interference pattern characteristics study

NASA Technical Reports Server (NTRS)

Ott, J. H.; Rice, J. S.

1981-01-01

The frequency spectra and corresponding beat frequencies created by the relative motions between multiple Solar Power Satellites due to solar wind, lunar gravity, etc. were analyzed. The results were derived mathematically and verified through computer simulation. Frequency spectra plots were computer generated. Detailed computations were made for the seven following locations in the continental US: Houston, Tx.; Seattle, Wa.; Miami, Fl.; Chicago, Il.; New York, NY; Los Angeles, Ca.; and Barberton, Oh.

Radial evolution of power spectra of interplanetary Alfvenic turbulence

NASA Technical Reports Server (NTRS)

Bavassano, B.; Dobrowolny, M.; Mariani, F.; Ness, N. F.

1981-01-01

The radial evolution of the power spectra of the MHD turbulence within the trailing edge of high speed streams in the solar wind was investigated with the magnetic field data of Helios 1 and 2 for heliocentric distance between 0.3 and 0.9 AU. In the analyzed frequency range (.00028 Hz to .0083 Hz) the computed spectra have, near the Earth, values of the spectral index close to that predicted for an incompressible hydromagnetic turbulence in a stationary state. Approaching the Sun the spectral slope remains unchanged for frequencies f or approximately .00 Hz, whereas at lower frequencies, a clear evolution toward a less steep fall off with frequency is found. The radial gradient of the power in Alfvenic fluctuations depends on frequency and it increases upon increasing frequency. For frequencies f or approximately .00 Hz, however, the radial gradient remains approximately the same. Possible theoretical implications of the observational features are discussed.

Can We Infer Ocean Dynamics from Altimeter Wavenumber Spectra?

NASA Technical Reports Server (NTRS)

Richman, James; Shriver, Jay; Arbic, Brian

2012-01-01

The wavenumber spectra of sea surface height (SSH) and kinetic energy (KE) have been used to infer the dynamics of the ocean. When quasi-geostrophic dynamics (QG) or surface quasi-geostrophic (SQG) turbulence dominate and an inertial subrange exists, a steep SSH wavenumber spectrum is expected with k-5 for QG turbulence and a flatter k-11/3 for SQG turbulence. However, inspection of the spectral slopes in the mesoscale band of 70 to 250 km shows that the altimeter wavenumber slopes typically are much flatter than the QG or SQG predictions over most of the ocean. Comparison of the altimeter wavenumber spectra with the spectra estimated from the output of an eddy resolving global ocean circulation model (the Hybrid Coordinate Ocean Model, HYCOM, at 1/25 resolution), which is forced by high frequency winds and includes the astronomical forcing of the sun and the moon, suggests that the flatter slopes of the altimeter may arise from three possible sources, the presence of internal waves, the lack of an inertial subrange in the 70 to 250 km band and noise or submesoscales at small scales. When the wavenumber spectra of SSH and KE are estimated near the internal tide generating regions, the resulting spectra are much flatter than the expectations of QG or SQG theory. If the height and velocity variability are separated into low frequency (periods greater than 2 days) and high frequency (periods less than a day), then a different pattern emerges with a relatively flat wavenumber spectrum at high frequency and a steeper wavenumber spectrum at low frequency. The stationary internal tides can be removed from the altimeter spectrum, which steepens the spectral slopes in the energetic internal wave regions. Away from generating regions where the internal waves

Evaluation of burst-mode LDA spectra with implications

NASA Astrophysics Data System (ADS)

Velte, Clara; George, William

2009-11-01

Burst-mode LDA spectra, as described in [1], are compared to spectra obtained from corresponding HWA measurements using the FFT in a round jet and cylinder wake experiment. The phrase ``burst-mode LDA'' refers to an LDA which operates with at most one particle present in the measuring volume at a time. Due to the random sampling and velocity bias of the LDA signal, the Direct Fourier Transform with accompanying weighting by the measured residence times was applied to obtain a correct interpretation of the spectral estimate. Further, the self-noise was removed as described in [2]. In addition, resulting spectra from common interpolation and uniform resampling techniques are compared to the above mentioned estimates. The burst-mode LDA spectra are seen to concur well with the HWA spectra up to the emergence of the noise floor, caused mainly by the intermittency of the LDA signal. The interpolated and resampled counterparts yield unphysical spectra, which are buried in frequency dependent noise and step noise, except at very high LDA data rates where they perform well up to a limited frequency.[4pt] [1] Buchhave, P. PhD Thesis, SUNY/Buffalo, 1979.[0pt] [2] Velte, C.M. PhD Thesis, DTU/Copenhagen, 2009.

Frequency-selective quantitation of short-echo time 1H magnetic resonance spectra

NASA Astrophysics Data System (ADS)

Poullet, Jean-Baptiste; Sima, Diana M.; Van Huffel, Sabine; Van Hecke, Paul

2007-06-01

Accurate and efficient filtering techniques are required to suppress large nuisance components present in short-echo time magnetic resonance (MR) spectra. This paper discusses two powerful filtering techniques used in long-echo time MR spectral quantitation, the maximum-phase FIR filter (MP-FIR) and the Hankel-Lanczos Singular Value Decomposition with Partial ReOrthogonalization (HLSVD-PRO), and shows that they can be applied to their more complex short-echo time spectral counterparts. Both filters are validated and compared through extensive simulations. Their properties are discussed. In particular, the capability of MP-FIR for dealing with macromolecular components is emphasized. Although this property does not make a large difference for long-echo time MR spectra, it can be important when quantifying short-echo time spectra.

Uncertainty in least-squares fits to the thermal noise spectra of nanomechanical resonators with applications to the atomic force microscope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sader, John E., E-mail: jsader@unimelb.edu.au; Yousefi, Morteza; Friend, James R.

2014-02-15

Thermal noise spectra of nanomechanical resonators are used widely to characterize their physical properties. These spectra typically exhibit a Lorentzian response, with additional white noise due to extraneous processes. Least-squares fits of these measurements enable extraction of key parameters of the resonator, including its resonant frequency, quality factor, and stiffness. Here, we present general formulas for the uncertainties in these fit parameters due to sampling noise inherent in all thermal noise spectra. Good agreement with Monte Carlo simulation of synthetic data and measurements of an Atomic Force Microscope (AFM) cantilever is demonstrated. These formulas enable robust interpretation of thermal noisemore » spectra measurements commonly performed in the AFM and adaptive control of fitting procedures with specified tolerances.« less

Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Methyl Substitution and Loss of H

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W.; Langhoff, Stephen R.; Arnold, James O. (Technical Monitor)

1998-01-01

The B3LYP approach, in conjunction with the 4-31G basis set, is used to compute the harmonic frequencies of 1- and 2-methylnaphthalene, 1-, 2-, and 9-methylanthracene, and their cations. The IR spectra of the methyl substituted species are very similar to the parent spectra, except for the addition of the methyl C-H stretch at lower frequency than the aromatic C-H stretch. The loss of a single hydrogen from naphthalene, anthracene, and their cations is shown to have a very small effect on the IR spectra. Loss of a methyl hydrogen from 1- or 2-methylnaphthalene, or their cations, is shown to shift the side group C-H frequencies from below aromatic hydrogen stretching frequencies to above them. The loss of IT from 2-methylenenaphthalene shows only a small shift in the side group C-H stretching frequency.

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular conformational analysis of 2,5-di-tert-butyl-hydroquinone

NASA Astrophysics Data System (ADS)

Subramanian, N.; Sundaraganesan, N.; Dereli, Ö.; Türkkan, E.

2011-12-01

The purpose of finding conformer among six different possible conformers of 2,5-di-tert-butyl-hydroquinone (DTBHQ), its equilibrium geometry and harmonic wavenumbers were calculated by the B3LYP/6-31G(d,p) method. The infrared and Raman spectra of DTBHQ were recorded in the region 400-4000 cm -1 and 50-3500 cm -1, respectively. In addition, the IR spectra in CCl 4 at various concentrations of DTBHQ are also recorded. The computed vibrational wavenumbers were compared with the IR and Raman experimental data. Computational calculations at B3LYP level with two different basis sets 6-31G(d,p) and 6-311++G(d,p) are also employed in the study of the possible conformer of DTBHQ. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated using VEDA 4 program. The general agreement between the observed and calculated frequencies was established.

A simple model for strong ground motions and response spectra

USGS Publications Warehouse

Safak, Erdal; Mueller, Charles; Boatwright, John

1988-01-01

A simple model for the description of strong ground motions is introduced. The model shows that response spectra can be estimated by using only four parameters of the ground motion, the RMS acceleration, effective duration and two corner frequencies that characterize the effective frequency band of the motion. The model is windowed band-limited white noise, and is developed by studying the properties of two functions, cumulative squared acceleration in the time domain, and cumulative squared amplitude spectrum in the frequency domain. Applying the methods of random vibration theory, the model leads to a simple analytical expression for the response spectra. The accuracy of the model is checked by using the ground motion recordings from the aftershock sequences of two different earthquakes and simulated accelerograms. The results show that the model gives a satisfactory estimate of the response spectra.

Audible thunder characteristic and the relation between peak frequency and lightning parameters

NASA Astrophysics Data System (ADS)

Yuhua, Ouyang; Ping, Yuan

2012-02-01

In recent summers, some natural lightning optical spectra and audible thunder signals were observed. Twelve events on 15 August 2008 are selected as samples since some synchronizing information about them are obtained, such as lightning optical spectra, surface E-field changes, etc. By using digital filter and Fourier transform, thunder frequency spectra in observation location have been calculated. Then the two main propagation effects, finite amplitude propagation and attenuation by air, are calculated. Upon that we take the test thunder frequency spectra and work backward to recalculate the original frequency spectra near generation location. Thunder frequency spectra and the frequency distribution varying with distance are researched. According to the theories on plasma, the channel temperature and electron density are further calculated by transition parameters of lines in lightning optical spectra. Pressure and the average ionization degree of each discharge channel are obtained by using Saha equations, charge conservation equations and particle conservation equations. Moreover, the relationship between the peak frequency of each thunder and channel parameters of the lightning is studied.

RM-CLEAN: RM spectra cleaner

NASA Astrophysics Data System (ADS)

Heald, George

2017-08-01

RM-CLEAN reads in dirty Q and U cubes, generates rmtf based on the frequencies given in an ASCII file, and cleans the RM spectra following the algorithm given by Brentjens (2007). The output cubes contain the clean model components and the CLEANed RM spectra. The input cubes must be reordered with mode=312, and the output cubes will have the same ordering and thus must be reordered after being written to disk. RM-CLEAN runs as a MIRIAD (ascl:1106.007) task and a Python wrapper is included with the code.

Mutational jackpot events generate effective frequency-dependent selection in adapting populations

NASA Astrophysics Data System (ADS)

Hallatschek, Oskar

The site-frequency spectrum is one the most easily measurable quantities that characterize the genetic diversity of a population. While most neutral models predict that site frequency spectra should decay with increasing frequency, a high-frequency uptick has been reported in many populations. Anomalies in the high-frequency tail are particularly unsettling because the highest frequencies can be measured with greatest accuracy. Here, we show that an uptick in the spectrum of neutral mutations generally arises when mutant frequencies are dominated by rare jackpot events, mutational events with large descendant numbers. This leads to an effective pattern of frequency-dependent selection (or unstable internal equilibrium at one half frequency) that causes an accumulation of high-frequency polymorphic sites. We reproduce the known uptick occurring for recurrent hitchhiking (genetic draft) as well as rapid adaptation, and (in the future) generalize the shape of the high-frequency tail to other scenarios that are dominated by jackpot events, such as frequent range expansions. We also tackle (in the future) the inverse approach to use the high-frequency uptick for learning about the tail of the offspring number distribution. Positively selected alleles need to surpass, typically, an u NSF Career Award (PoLS), NIH NIGMS R01, Simons Foundation.

Dual-frequency dielectrophoretic levitation of Canola protoplasts

PubMed Central

Kaler, Karan V. I. S.; Xie, Jing-Ping; Jones, Thomas B.; Paul, Reginald

1992-01-01

A novel dual-frequency excitation technique is introduced which permits investigation of the low-frequency dispersion of Canola plant protoplasts using feedback-controlled dielectrophoretic levitation. The upper and intermediate frequency spectra obtained using the new technique are generally consistent with previous work. However, below some cross-over frequency fOL, the protoplasts exhibit an apparent positive dielectrophoretic response that is not predicted by conventional theory. This cross-over frequency is linearly related to suspension conductivity, virtually independent of the suspension pH, and inversely proportional to the square of the cell radius. Examination of the complex Clausius-Mossotti polarization coefficient reveals that the observed positive dielectrophoretic response can not be accounted for in terms of Maxwell-Wagner polarization associated with a conventional layered model for the protoplast. The failure of straightforward enhancements to the protoplast model in explaining the low frequency behavior may indicate the presence of an electrophoretic contribution to the net observable force on the particle. To account for such fluid mechanical effects, it will be necessary to modify the existing dielectrophoretic force formulation. PMID:19431842

Dual-frequency dielectrophoretic levitation of Canola protoplasts.

PubMed

Kaler, K V; Xie, J P; Jones, T B; Paul, R

1992-07-01

A novel dual-frequency excitation technique is introduced which permits investigation of the low-frequency dispersion of Canola plant protoplasts using feedback-controlled dielectrophoretic levitation. The upper and intermediate frequency spectra obtained using the new technique are generally consistent with previous work. However, below some cross-over frequency f(OL), the protoplasts exhibit an apparent positive dielectrophoretic response that is not predicted by conventional theory. This cross-over frequency is linearly related to suspension conductivity, virtually independent of the suspension pH, and inversely proportional to the square of the cell radius. Examination of the complex Clausius-Mossotti polarization coefficient reveals that the observed positive dielectrophoretic response can not be accounted for in terms of Maxwell-Wagner polarization associated with a conventional layered model for the protoplast. The failure of straightforward enhancements to the protoplast model in explaining the low frequency behavior may indicate the presence of an electrophoretic contribution to the net observable force on the particle. To account for such fluid mechanical effects, it will be necessary to modify the existing dielectrophoretic force formulation.

A new method of passive modifications for partial frequency assignment of general structures

NASA Astrophysics Data System (ADS)

Belotti, Roberto; Ouyang, Huajiang; Richiedei, Dario

2018-01-01

The assignment of a subset of natural frequencies to vibrating systems can be conveniently achieved by means of suitable structural modifications. It has been observed that such an approach usually leads to the undesired change of the unassigned natural frequencies, which is a phenomenon known as frequency spill-over. Such an issue has been dealt with in the literature only in simple specific cases. In this paper, a new and general method is proposed that aims to assign a subset of natural frequencies with low spill-over. The optimal structural modifications are determined through a three-step procedure that considers both the prescribed eigenvalues and the feasibility constraints, assuring that the obtained solution is physically realizable. The proposed method is therefore applicable to very general vibrating systems, such as those obtained through the finite element method. The numerical difficulties that may occur as a result of employing the method are also carefully addressed. Finally, the capabilities of the method are validated in three test-cases in which both lumped and distributed parameters are modified to obtain the desired eigenvalues.

General solution of undersampling frequency conversion and its optimization for parallel photodisplacement imaging.

PubMed

Nakata, Toshihiko; Ninomiya, Takanori

2006-10-10

A general solution of undersampling frequency conversion and its optimization for parallel photodisplacement imaging is presented. Phase-modulated heterodyne interference light generated by a linear region of periodic displacement is captured by a charge-coupled device image sensor, in which the interference light is sampled at a sampling rate lower than the Nyquist frequency. The frequencies of the components of the light, such as the sideband and carrier (which include photodisplacement and topography information, respectively), are downconverted and sampled simultaneously based on the integration and sampling effects of the sensor. A general solution of frequency and amplitude in this downconversion is derived by Fourier analysis of the sampling procedure. The optimal frequency condition for the heterodyne beat signal, modulation signal, and sensor gate pulse is derived such that undesirable components are eliminated and each information component is converted into an orthogonal function, allowing each to be discretely reproduced from the Fourier coefficients. The optimal frequency parameters that maximize the sideband-to-carrier amplitude ratio are determined, theoretically demonstrating its high selectivity over 80 dB. Preliminary experiments demonstrate that this technique is capable of simultaneous imaging of reflectivity, topography, and photodisplacement for the detection of subsurface lattice defects at a speed corresponding to an acquisition time of only 0.26 s per 256 x 256 pixel area.

Time-frequency analysis of time-varying modulated signals based on improved energy separation by iterative generalized demodulation

NASA Astrophysics Data System (ADS)

Feng, Zhipeng; Chu, Fulei; Zuo, Ming J.

2011-03-01

Energy separation algorithm is good at tracking instantaneous changes in frequency and amplitude of modulated signals, but it is subject to the constraints of mono-component and narrow band. In most cases, time-varying modulated vibration signals of machinery consist of multiple components, and have so complicated instantaneous frequency trajectories on time-frequency plane that they overlap in frequency domain. For such signals, conventional filters fail to obtain mono-components of narrow band, and their rectangular decomposition of time-frequency plane may split instantaneous frequency trajectories thus resulting in information loss. Regarding the advantage of generalized demodulation method in decomposing multi-component signals into mono-components, an iterative generalized demodulation method is used as a preprocessing tool to separate signals into mono-components, so as to satisfy the requirements by energy separation algorithm. By this improvement, energy separation algorithm can be generalized to a broad range of signals, as long as the instantaneous frequency trajectories of signal components do not intersect on time-frequency plane. Due to the good adaptability of energy separation algorithm to instantaneous changes in signals and the mono-component decomposition nature of generalized demodulation, the derived time-frequency energy distribution has fine resolution and is free from cross term interferences. The good performance of the proposed time-frequency analysis is illustrated by analyses of a simulated signal and the on-site recorded nonstationary vibration signal of a hydroturbine rotor during a shut-down transient process, showing that it has potential to analyze time-varying modulated signals of multi-components.

Hardware Demonstration: Frequency Spectra of Transients

NASA Technical Reports Server (NTRS)

McCloskey, John; Dimov, Jen

2017-01-01

Radiated emissions measurements as specified by MIL-STD-461 are performed in the frequency domain, which is best suited to continuous wave (CW) types of signals. However, many platforms implement signals that are single event pulses or transients. Such signals can potentially generate momentary radiated emissions that can cause interference in the system, but they may be missed with traditional measurement techniques. This demonstration provides measurement and analysis techniques that effectively evaluate the potential emissions from such signals in order to evaluate their potential impacts to system performance.

Relationship between frequency power spectra and intermittent, large-amplitude bursts in the Alcator C-Mod scrape-off layer

NASA Astrophysics Data System (ADS)

Theodorsen, A.; Garcia, O. E.; Kube, R.; LaBombard, B.; Terry, J. L.

2017-11-01

Fluctuations in the boundary region of the Alcator C-Mod tokamak have been analyzed using gas puff imaging data from a set of Ohmically heated plasma density scan experiments. It is found that the relative fluctuation amplitudes are modest and close to normally distributed at the separatrix but become increasingly larger and skewed towards the main chamber wall. The frequency power spectra are nevertheless similar for all radial positions and line-averaged densities. Predictions of a stochastic model, describing the plasma fluctuations as a super-position of uncorrelated pulses, are shown to be in excellent agreement with the measurements. This implies that the pulse duration is the same, while the degree of pulse overlap decreases radially outwards in the scrape-off layer. The universal frequency power spectral density is thus determined by the shape and duration of the large-amplitude bursts associated with blob-like structures. The model also describes the rate of threshold level crossings, for which the exponential tails underline the intermittency of the fluctuations in the far scarpe-off layer.

Similarity spectra analysis of high-performance jet aircraft noise.

PubMed

Neilsen, Tracianne B; Gee, Kent L; Wall, Alan T; James, Michael M

2013-04-01

Noise measured in the vicinity of an F-22A Raptor has been compared to similarity spectra found previously to represent mixing noise from large-scale and fine-scale turbulent structures in laboratory-scale jet plumes. Comparisons have been made for three engine conditions using ground-based sideline microphones, which covered a large angular aperture. Even though the nozzle geometry is complex and the jet is nonideally expanded, the similarity spectra do agree with large portions of the measured spectra. Toward the sideline, the fine-scale similarity spectrum is used, while the large-scale similarity spectrum provides a good fit to the area of maximum radiation. Combinations of the two similarity spectra are shown to match the data in between those regions. Surprisingly, a combination of the two is also shown to match the data at the farthest aft angle. However, at high frequencies the degree of congruity between the similarity and the measured spectra changes with engine condition and angle. At the higher engine conditions, there is a systematically shallower measured high-frequency slope, with the largest discrepancy occurring in the regions of maximum radiation.

The Martian atmospheric planetary boundary layer stability, fluxes, spectra, and similarity

NASA Technical Reports Server (NTRS)

Tillman, James E.

1994-01-01

This is the first analysis of the high frequency data from the Viking lander and spectra of wind, in the Martian atmospheric surface layer, along with the diurnal variation of the height of the mixed surface layer, are calculated for the first time for Mars. Heat and momentum fluxes, stability, and z(sub O) are estimated for early spring, from a surface temperature model and from Viking Lander 2 temperatures and winds at 44 deg N, using Monin-Obukhov similarity theory. The afternoon maximum height of the mixed layer for these seasons and conditions is estimated to lie between 3.6 and 9.2 km. Estimations of this height is of primary importance to all models of the boundary layer and Martian General Circulation Models (GCM's). Model spectra for two measuring heights and three surface roughnesses are calculated using the depth of the mixed layer, and the surface layer parameters and flow distortion by the lander is also taken into account. These experiments indicate that z(sub O), probably lies between 1.0 and 3.0 cm, and most likely is closer to 1.0 cm. The spectra are adjusted to simulate aliasing and high frequency rolloff, the latter caused both by the sensor response and the large Kolmogorov length on Mars. Since the spectral models depend on the surface parameters, including the estimated surface temperature, their agreement with the calculated spectra indicates that the surface layer estimates are self consistent. This agreement is especially noteworthy in that the inertial subrange is virtually absent in the Martian atmosphere at this height, due to the large Kolmogorov length scale. These analyses extend the range of applicability of terrestrial results and demonstrate that it is possible to estimate the effects of severe aliasing of wind measurements, to produce a models which agree well with the measured spectra. The results show that similarity theory developed for Earth applies to Mars, and that the spectral models are universal.

An auxiliary frequency tracking system for general purpose lock-in amplifiers

NASA Astrophysics Data System (ADS)

Xie, Kai; Chen, Liuhao; Huang, Anfeng; Zhao, Kai; Zhang, Hanlu

2018-04-01

Lock-in amplifiers (LIAs) are designed to measure weak signals submerged by noise. This is achieved with a signal modulator to avoid low-frequency noise and a narrow-band filter to suppress out-of-band noise. In asynchronous measurement, even a slight frequency deviation between the modulator and the reference may lead to measurement error because the filter’s passband is not flat. Because many commercial LIAs are unable to track frequency deviations, in this paper we propose an auxiliary frequency tracking system. We analyze the measurement error caused by the frequency deviation and propose both a tracking method and an auto-tracking system. This approach requires only three basic parameters, which can be obtained from any general purpose LIA via its communications interface, to calculate the frequency deviation from the phase difference. The proposed auxiliary tracking system is designed as a peripheral connected to the LIA’s serial port, removing the need for an additional power supply. The test results verified the effectiveness of the proposed system; the modified commercial LIA (model SR-850) was able to track the frequency deviation and continuous drift. For step frequency deviations, a steady tracking error of less than 0.001% was achieved within three adjustments, and the worst tracking accuracy was still better than 0.1% for a continuous frequency drift. The tracking system can be used to expand the application scope of commercial LIAs, especially for remote measurements in which the modulation clock and the local reference are separated.

Determination of thorium (IV) using isophthalaldehyde-tetrapyrrole as probe by resonance light scattering, second-order scattering and frequency-doubling scattering spectra

NASA Astrophysics Data System (ADS)

Wang, Jiao; Xue, Jinhua; Xiao, Xilin; Xu, Li; Jiang, Min; Peng, Pengcheng; Liao, Lifu

2017-12-01

The coordination reaction of thorium (IV) with a ditopic bidentate ligand to form supramolecular polymer was studied by resonance light scattering (RLS) spectra, second-order scattering (SOS) spectra and frequency-doubling scattering (FDS) spectra, respectively. The ditopic bidentate ligand is isophthalaldehyde-tetrapyrrole (IPTP). It was synthesized through a condensation reaction of isophthalaldehyde with pyrrole. The formation of supramolecular polymer results in remarkable intensity enhancements of the three light scattering signals. The maximum scattering wavelengths of RLS, FDS and SOS were 290, 568 and 340 nm, respectively. The reaction was used to establish new light scattering methods for the determination of thorium (IV) by using IPTP as probe. Under optimum conditions, the intensity enhancements of RLS, SOS and FDS were directly proportional to the concentration of thorium (IV) in the ranges of 0.01 to 1.2 μg mL- 1, 0.05 to 1.2 μg mL- 1 and 0.05 to 1.2 μg mL- 1, respectively. The detection limits were 0.003 μg mL- 1, 0.012 μg mL- 1 and 0.021 μg mL- 1, respectively. The methods were suitable for analyzing thorium (IV) in actual samples. The results show acceptable recoveries and precision compared with a reference method.

Directional spectra of hurricane-generated waves in the Gulf of Mexico

NASA Astrophysics Data System (ADS)

Hu, Kelin; Chen, Qin

2011-10-01

Hurricane-induced directional wave spectra in the Gulf of Mexico are investigated based on the measurements collected at 12 buoys during 7 hurricane events in recent years. Focusing on hurricane-generated wave spectra, we only consider the wave measurements at the buoys within eight times the radius of the hurricane maximum wind speed (Rmax) from the hurricane center. A series of numerical experiments using a third-generation spectral wave prediction model were carried out to gain insight into the mechanism controlling the directional and frequency distributions of hurricane wave energy. It is found that hurricane wave spectra are almost swell-dominated except for the right-rear quadrant of a hurricane with respect to the forward direction, where the local strong winds control the spectra. Despite the complexity of a hurricane wind field, most of the spectra are mono-modal, similar to those under fetch-limited, unidirectional winds. However, bi-modal spectra were also found in both measurements and model results. Four types of bi-modal spectra have been observed. Type I happens far away (>6 × Rmax) from a hurricane. Type II is bi-modal in frequency with significant differences in direction. It happens in the two left quadrants when the direction of hurricane winds deviates considerably from the swell direction. Type III is bi-modal in frequency in almost the same wave direction with two close peaks. It occurs when the energy of locally-generated wind-sea is only partially transferred to the swell energy by non-linear wave-wave interactions. Type IV was observed in shallow waters owing to coastal effects.

Wave-field decay rate estimate from the wavenumber-frequency spectra

NASA Astrophysics Data System (ADS)

Comisel, H.; Narita, Y.; Voros, Z.

2017-12-01

Observational data for wave or turbulent fields are conveniently analyzed and interpreted in the Fourier domain spanning the frequencies and the wavenumbers. If a wave field has not only oscillatory components (characterized by real parts of frequency) but also temporally decaying components (characterized by imaginary parts of frequency), the energy spectrum shows a frequency broadening around the peak due to the imaginary parts of frequency (or the decay rate). The mechanism of the frequency broadening is the same as that of the Breit-Wigner spectrum in nuclear resonance phenomena. We show that the decay rate can observationally and directly be estimated once multi-point data are available, and apply the method to Cluster four-point magnetometer data in the solar wind on a spatial scale of about 1000 km. The estimated decay rate is larger than the eddy turnover time, indicating that the decay profile of solar wind turbulence is more plasma physical such as excitation of whistler waves and other modes rather than hydrodynamic turbulence behavior.

Theoretical verification and extension of the McKean relationship between bond lengths and stretching frequencies

NASA Astrophysics Data System (ADS)

Larsson, J. A.; Cremer, D.

1999-08-01

Vibrational spectra contain explicit information on the electronic structure and the bonding situation of a molecule, which can be obtained by transforming the vibrational normal modes of a molecule into appropriate internal coordinate modes, which are localized in a fragment of the molecule and which are associated to that internal coordinate that describes the molecular fragment in question. It is shown that the adiabatic internal modes derived recently (Int. J. Quant. Chem., 67 (1998) 1) are the theoretical counterparts of McKean's isolated CH stretching modes (Chem. Soc. Rev., 7 (1978) 399). Adiabatic CH stretching frequencies obtained from experimental vibrational spectra can be used to determine CH bond lengths with high accuracy. Contrary to the concept of isolated stretching frequencies a generalization to any bond of a molecule is possible as is demonstrated for the CC stretching frequencies. While normal mode frequencies do not provide a basis to determine CC bond lengths and CC bond strengths, this is possible with the help of the adiabatic CC stretching frequencies. Measured vibrational spectra are used to describe different types of CC bonds in a quantitative way. For CH bonds, it is also shown that adiabatic stretching frequency leads to the definition of an ideal dissociation energy, which contrary to the experimentally determined dissociation energy is a direct measure of the bond strength. The difference between measured and ideal dissociation energies gives information on stabilization or destabilization of the radicals formed in a dissociation process.

Noise power spectra of images from digital mammography detectors.

PubMed

Williams, M B; Mangiafico, P A; Simoni, P U

1999-07-01

Noise characterization through estimation of the noise power spectrum (NPS) is a central component of the evaluation of digital x-ray systems. We begin with a brief review of the fundamentals of NPS theory and measurement, derive explicit expressions for calculation of the one- and two-dimensional (1D and 2D) NPS, and discuss some of the considerations and tradeoffs when these concepts are applied to digital systems. Measurements of the NPS of two detectors for digital mammography are presented to illustrate some of the implications of the choices available. For both systems, two-dimensional noise power spectra obtained over a range of input fluence exhibit pronounced asymmetry between the orthogonal frequency dimensions. The 2D spectra of both systems also demonstrate dominant structures both on and off the primary frequency axes indicative of periodic noise components. Although the two systems share many common noise characteristics, there are significant differences, including markedly different dark-noise magnitudes, differences in NPS shape as a function of both spatial frequency and exposure, and differences in the natures of the residual fixed pattern noise following flat fielding corrections. For low x-ray exposures, quantum noise-limited operation may be possible only at low spatial frequency. Depending on the method of obtaining the 1D NPS (i.e., synthetic slit scanning or slice extraction from the 2D NPS), on-axis periodic structures can be misleadingly smoothed or missed entirely. Our measurements indicate that for these systems, 1D spectra useful for the purpose of detective quantum efficiency calculation may be obtained from thin cuts through the central portion of the calculated 2D NPS. On the other hand, low-frequency spectral values do not converge to an asymptotic value with increasing slit length when 1D spectra are generated using the scanned synthetic slit method. Aliasing can contribute significantly to the digital NPS, especially near the

Synchrotron Spectra of Short-Period Pulsars

NASA Astrophysics Data System (ADS)

Malov, I. F.

2001-02-01

A model with synchrotron radiation near the light cylinder is proposed to explain the observed spectra of short-period pulsars (P≤0.1 s). These spectra can be described if a power-law energy distribution of the emitting electrons with exponent γ=2 8 is assumed. For most pulsars, the peak frequency νm is below 10 MHz. The νm(γ) dependence is derived, and shows that the peak frequencies for pulsars with spectral indices α<1.5 may fall in the observable range. In particular, νm may be νm ˜ 100 MHz for PSR J0751 + 1807 and PSR J1640 + 2224. The observed radio spectrum of Geminga (PSR J0633 + 1746) can be described by a synchrotron model with a monoenergetic or Maxwellian distribution of relativistic electrons and a small angle β between the spin axis and magnetic moment (β ˜ 10°).

A sensitive continuum analysis method for gamma ray spectra

NASA Technical Reports Server (NTRS)

Thakur, Alakh N.; Arnold, James R.

1993-01-01

In this work we examine ways to improve the sensitivity of the analysis procedure for gamma ray spectra with respect to small differences in the continuum (Compton) spectra. The method developed is applied to analyze gamma ray spectra obtained from planetary mapping by the Mars Observer spacecraft launched in September 1992. Calculated Mars simulation spectra and actual thick target bombardment spectra have been taken as test cases. The principle of the method rests on the extraction of continuum information from Fourier transforms of the spectra. We study how a better estimate of the spectrum from larger regions of the Mars surface will improve the analysis for smaller regions with poorer statistics. Estimation of signal within the continuum is done in the frequency domain which enables efficient and sensitive discrimination of subtle differences between two spectra. The process is compared to other methods for the extraction of information from the continuum. Finally we explore briefly the possible uses of this technique in other applications of continuum spectra.

The first observation of Carbon-13 spin noise spectra

PubMed Central

Schlagnitweit, Judith; Müller, Norbert

2012-01-01

We demonstrate the first 13C NMR spin noise spectra obtained without any pulse excitation by direct detection of the randomly fluctuating noise from samples in a cryogenically cooled probe. Noise power spectra were obtained from 13C enriched methanol and glycerol samples at 176 MHz without and with 1H decoupling, which increases the sensitivity without introducing radio frequency interference with the weak spin noise. The multiplet amplitude ratios in 1H coupled spectra indicate that, although pure spin noise prevails in these spectra, the influence of absorbed circuit noise is still significant at the high concentrations used. In accordance with the theory heteronuclear Overhauser enhancements are absent from the 1H-decoupled 13C spin noise spectra. PMID:23041799

Observations of explosion generated PcP spectra at near-normal incidence

NASA Astrophysics Data System (ADS)

Niazi, Mansour; McLaughlin, Keith L.

1987-10-01

Short period recordings of PcP at the SRO station ANTO have been observed at epicentral distance of 13.5° from presumed underground explosions in western Kazahk, USSR. The core reflections are narrow band (0.6 to 2.4 Hz), short duration (3 sec) signals. Comparison of these near normally incident reflections to P waveforms observed at greater distances reveals that the PcP spectra are peaked with respect to the more representative P-wave spectra. The 1.2 Hz spectral peak is also observed for PcP waves recorded at 50 degrees. Corrections for frequency independent mantle Q attnuation models only increase the high frequency deficiency of the PcP spectra at frequencies above 1.2 Hz. A plausible explanation calls for finer structural features of core-mantle boundary (CMB) than hitherto suggested. The influence of small scale lateral heterogeneities, however, cannot be completely ruled out. (Mantle-core boundary, near normal PcP reflection.)

Dual-frequency sound-absorbing metasurface based on visco-thermal effects with frequency dependence

NASA Astrophysics Data System (ADS)

Ryoo, H.; Jeon, W.

2018-03-01

We investigate theoretically an acoustic metasurface with a high absorption coefficient at two frequencies and design it from subwavelength structures. We propose the use of a two-dimensional periodic array of four Helmholtz resonators in two types to obtain a metasurface with nearly perfect sound absorption at given target frequencies via interactions between waves emanating from different resonators. By considering how fluid viscosity affects acoustic energy dissipation in the narrow necks of the Helmholtz resonators, we obtain effective complex-valued material properties that depend on frequency and on the geometrical parameters of the resonators. We furthermore derive the effective acoustic impedance of the metasurface from the effective material properties and calculate the absorption spectra from the theoretical model, which we compare with the spectra obtained from a finite-element simulation. As a practical application of the theoretical model, we derive empirical formulas for the geometrical parameters of a metasurface which would yield perfect absorption at a given frequency. While previous works on metasurfaces based on Helmholtz resonators aimed to absorb sound at single frequencies, we use optimization to design a metasurface composed of four different Helmholtz resonators to absorb sound at two distinct frequencies.

Analysis of high-frequency energy in long-term average spectra of singing, speech, and voiceless fricatives.

PubMed

Monson, Brian B; Lotto, Andrew J; Story, Brad H

2012-09-01

The human singing and speech spectrum includes energy above 5 kHz. To begin an in-depth exploration of this high-frequency energy (HFE), a database of anechoic high-fidelity recordings of singers and talkers was created and analyzed. Third-octave band analysis from the long-term average spectra showed that production level (soft vs normal vs loud), production mode (singing vs speech), and phoneme (for voiceless fricatives) all significantly affected HFE characteristics. Specifically, increased production level caused an increase in absolute HFE level, but a decrease in relative HFE level. Singing exhibited higher levels of HFE than speech in the soft and normal conditions, but not in the loud condition. Third-octave band levels distinguished phoneme class of voiceless fricatives. Female HFE levels were significantly greater than male levels only above 11 kHz. This information is pertinent to various areas of acoustics, including vocal tract modeling, voice synthesis, augmentative hearing technology (hearing aids and cochlear implants), and training/therapy for singing and speech.

Low frequency vibrational spectra and the nature of metal-oxygen bond of alkaline earth metal acetylacetonates

NASA Astrophysics Data System (ADS)

Fakheri, Hamideh; Tayyari, Sayyed Faramarz; Heravi, Mohammad Momen; Morsali, Ali

2017-12-01

Theoretical quantum chemistry calculations were used to assign the observed vibrational band frequencies of Be, Mg, Ca, Sr, and Ba acetylacetonates complexes. Density functional theory (DFT) calculations have been carried out at the B3LYP level, using LanL2DZ, def2SVP, and mixed, GenECP, (def2SVP for metal ions and 6-311++G** for all other atoms) basis sets. The B3LYP level, with mixed basis sets, was utilized for calculations of vibrational frequencies, IR intensity, and Raman activity. Analysis of the vibrational spectra indicates that there are several bands which could almost be assigned mainly to the metal-oxygen vibrations. The strongest Raman band in this region could be used as a measure of the stability of the complex. The effects of central metal on the bond orders and charge distributions in alkaline earth metal acetylacetonates were studied by the Natural Bond Orbital (NBO) method for fully optimized compounds. Optimization were performed at the B3LYP/6-311++G** level for the lighter alkaline earth metal complexes (Be, Mg, and Ca acetylacetonates) while the B3LYP level, using LanL2DZ (extrabasis, d and f on oxygen and metal atoms), def2SVP and mixed (def2SVP on metal ions and 6-311++G** for all other atoms) basis sets for all understudy complexes. Calculations indicate that the covalence nature of metal-oxygen bonds considerably decreases from Be to Ba complexes. The nature of metal-oxygen bond was further studied by using Atoms In Molecules (AIM) analysis. The topological parameters, Wiberg bond orders, natural charges of O and metal ions, and also some vibrational band frequencies were correlated with the stability constants of understudy complexes.

THz spectra and corresponding vibrational modes of DNA base pair cocrystals and polynucleotides

NASA Astrophysics Data System (ADS)

Wang, Fang; Zhao, Dongbo; Dong, Hao; Jiang, Ling; Huang, Lin; Liu, Yunfei; Li, Shuhua

2018-07-01

The generalized energy-based fragmentation (GEBF) approach has been applied to study the THz spectra and vibrational modes of base pair cocrystals under periodic boundary conditions (denoted as PBC-GEBF). Results of vibrational mode reveal that hydrogen bonds play a pivotal role in the pairing process of base crystals, where most Nsbnd H and Csbnd H bonds stretch to some extent. We also found that hydrogen bonds of a self-made A:T cocrystal completely break in a transition from liquid to the solid state, while self-made C:G cocrystal is different and easier to form a cocrystal, as confirmed by X-ray diffraction (XRD) and terahertz (THz) spectra. Furthermore, we have studied DNA polynucleotides (in both A and B forms) found that the vibrational modes changed a lot during the process of their forming double strand. Despite the key role played by hydrogen bonds, the key contribution originates from collective motions of the main skeleton. A comparative study of the spectra of some stranded fragments suggests that different sequences or forms have similar spectra in THz band. They distinguish from each other mainly in the low-frequency regions, especially below 1 THz. This study would make great contributions to the molecular dynamics model based DNA long-chain structure simulation in the future study.

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

[Influence of electromagnetic emission at the frequencies of molecular absorption and emission spectra of oxygen and nitrogen oxide on the adhesion and formation of Pseudomonas aeruginosa biofilm].

PubMed

Pronina, E A; Shvidenko, I G; Shub, G M; Shapoval, O G

2011-01-01

Evaluate the influence of electromagnetic emission (EME) at the frequencies of molecular absorption and emission spectra of atmospheric oxygen and nitrogen oxide (MAES 02 and MAES NO respectively) on the adhesion, population progress and biofilm formation of Pseudomonas aeruginosa. Adhesive activity was evaluated by mean adhesion index (MAI) of bacteria on human erythrocytes. Population growth dynamic was assessed by optical density index of broth cultures; biofilm formation--by values of optical density of the cells attached to the surface of polystyrol wells. P.aeruginosa bacteria had high adhesive properties that have increased under the influence of MAES 02 frequency emission and have not changed under the influence of MAES NO frequency. Exposure of bacteria to MAES NO frequency did not influence the population progress; exposure to MAES 02 frequency stimulated the biofilm formation ability of the bacteria, and MAES NO--decreased this ability. EME at MAES NO frequency can be used to suppress bacterial biofilm formation by pseudomonas.

Gigahertz-peaked Spectra Pulsars and Thermal Absorption Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kijak, J.; Basu, R.; Lewandowski, W.

2017-05-10

We present the results of our radio interferometric observations of pulsars at 325 and 610 MHz using the Giant Metrewave Radio Telescope. We used the imaging method to estimate the flux densities of several pulsars at these radio frequencies. The analysis of the shapes of the pulsar spectra allowed us to identify five new gigahertz-peaked spectra (GPS) pulsars. Using the hypothesis that the spectral turnovers are caused by thermal free–free absorption in the interstellar medium, we modeled the spectra of all known objects of this kind. Using the model, we were able to put some observational constraints on the physicalmore » parameters of the absorbing matter, which allows us to distinguish between the possible sources of absorption. We also discuss the possible effects of the existence of GPS pulsars on future search surveys, showing that the optimal frequency range for finding such objects would be from a few GHz (for regular GPS sources) to possibly 10 GHz for pulsars and radio magnetars exhibiting very strong absorption.« less

FTIR, FT-Raman spectra and ab initio, DFT vibrational analysis of 2,4-dinitrophenylhydrazine.

PubMed

Sundaraganesan, N; Ayyappan, S; Umamaheswari, H; Joshua, B Dominic

2007-01-01

The FTIR and FT-Raman spectra of 2,4-dinitrophenylhydrazine (2,4-DNPH) has been recorded in the region 4000-400 and 3500-50cm-1, respectively. The optimized geometry, frequency and intensity of the vibrational bands of 2,4-DNPH were obtained by the ab initio and density functional theory (DFT) levels of theory with complete relaxation in the potential energy surface using 6-31G(d,p) and 6-311G(d,p) basis sets. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The experimental spectra also coincide satisfactorily with those of theoretically constructed bar type spectrograms.

FTIR, FT-Raman spectra and ab initio, DFT vibrational analysis of 2,4-dinitrophenylhydrazine

NASA Astrophysics Data System (ADS)

Sundaraganesan, N.; Ayyappan, S.; Umamaheswari, H.; Dominic Joshua, B.

2007-01-01

The FTIR and FT-Raman spectra of 2,4-dinitrophenylhydrazine (2,4-DNPH) has been recorded in the region 4000-400 and 3500-50 cm -1, respectively. The optimized geometry, frequency and intensity of the vibrational bands of 2,4-DNPH were obtained by the ab initio and density functional theory (DFT) levels of theory with complete relaxation in the potential energy surface using 6-31G(d,p) and 6-311G(d,p) basis sets. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental FTIR and FT-Raman spectra. The observed and the calculated frequencies are found to be in good agreement. The experimental spectra also coincide satisfactorily with those of theoretically constructed bar type spectrograms.

Theoretical Interpretation of the Fluorescence Spectra of Toluene and P- Cresol

DTIC Science & Technology

1994-07-01

NUMBER OF PAGES Toluene Geometrica 25 p-Cresol Fluorescence Is. PRICE CODE Spectra 17. SECURITY CLASSIFICATION 13. SECURITY CLASSIFICATION 19...State Frequencies of Toluene ................ 19 6 Computed and exp" Ground State Frequencies of p-Cresol ............... 20 7 Correction Factors for...Computed Ground State Vibrational Frequencies ....... 21 8 Computed and Corrected Excited State Frequencies of Toluene ............. 22 9 Computed and

Laboratory spectra of C60 and related molecular structures

NASA Technical Reports Server (NTRS)

Janca, J.; Solc, M.; Vetesnik, M.

1994-01-01

The electronic spectra of fullerene structures in high frequency discharge are studied in the plasma chemistry laboratory of the Faculty of Science of Masaryk University in Brno. The ultraviolet and visual spectra are investigated in order to be compared with the diffuse interstellar bands and interpreted within the theory of quantum mechanics. The preliminary results of the study are presented here in the form of a poster.

Frequency-dependent failure mechanisms of nanocrystalline gold interconnect lines under general alternating current

NASA Astrophysics Data System (ADS)

Luo, X. M.; Zhang, B.; Zhang, G. P.

2014-09-01

Thermal fatigue failure of metallization interconnect lines subjected to alternating currents (AC) is becoming a severe threat to the long-term reliability of micro/nanodevices with increasing electrical current density/power. Here, thermal fatigue failure behaviors and damage mechanisms of nanocrystalline Au interconnect lines on the silicon glass substrate have been investigated by applying general alternating currents (the pure alternating current coupled with a direct current (DC) component) with different frequencies ranging from 0.05 Hz to 5 kHz. We observed both thermal fatigue damages caused by Joule heating-induced cyclic strain/stress and electromigration (EM) damages caused by the DC component. Besides, the damage formation showed a strong electrically-thermally-mechanically coupled effect and frequency dependence. At lower frequencies, thermal fatigue damages were dominant and the main damage forms were grain coarsening with grain boundary (GB) cracking/voiding and grain thinning. At higher frequencies, EM damages took over and the main damage forms were GB cracking/voiding of smaller grains and hillocks. Furthermore, the healing effect of the reversing current was considered to elucidate damage mechanisms of the nanocrystalline Au lines generated by the general AC. Lastly, a modified model was proposed to predict the lifetime of the nanocrystalline metal interconnect lines, i.e., that was a competing drift velocity-based approach based on the threshold time required for reverse diffusion/healing to occur.

Energy Spectra and High Frequency Oscillations in 4U 0614+091

NASA Technical Reports Server (NTRS)

Ford, E. C.; Kaaret, P.; Chen, K.; Tavani, M.; Barret, D.; Bloser, P.; Grindlay, J.; Harmon, B. A.; Paciesas, W. S.; Zhang, S. N.

1997-01-01

We investigate the behavior of the high frequency quasi-periodic oscillations (QPOs) in 4U 0614+091, combining timing and spectral analysis of RXTE (Rossi X-ray Timing Explorer) observations. The energy spectrum of the source can be described by a power law plus a blackbody component. The blackbody has a variable temperature (kT approximately 0.8 to 1.4 keV) and accounts for 10 to 25% of the total energy flux. The power law flux and photon index also vary (F approximately 0.8 to 1.6 x 10(exp -9) erg/sq cm.s and alpha approximately 2.0 to 2.8 respectively). We find a robust correlation of the frequency of the higher frequency QPO with the flux of the blackbody. The source follows the same relation even in observations separated by several months. The QPO frequency does not have a similarly unique correlation with the total flux or the flux of the power law component. The RMS amplitudes of the higher frequency QPO rise with energy but are consistent with a constant for the lower frequency QPO. These results may be interpreted in terms of a beat frequency model for the production of the high frequency QPOs.

Mid-Infrared Frequency-Agile Dual-Comb Spectroscopy

NASA Astrophysics Data System (ADS)

Luo, Pei-Ling; Yan, Ming; Iwakuni, Kana; Millot, Guy; Hänsch, Theodor W.; Picqué, Nathalie

2016-06-01

We demonstrate a new approach to mid-infrared dual-comb spectroscopy. It opens up new opportunities for accurate real-time spectroscopic diagnostics and it significantly simplifies the technique of dual-comb spectroscopy. Two mid-infrared frequency combs of slightly different repetition frequencies and moderate, but rapidly tunable, spectral span are generated in the 2800-3200 cm-1 region. The generators rely on electro-optic modulators, nonlinear fibers for spectral broadening and difference frequency generation and do not involve mode-locked lasers. Flat-top frequency combs span up to 10 cm-1 with a comb line spacing of 100 MHz (3×10-3 cm-1). The performance of the spectrometer without any phase-lock electronics or correction scheme is illustrated with spectra showing resolved comb lines and Doppler-limited spectra of methane. High precision on the spectroscopic parameter (line positions and intensities) determination is demonstrated for spectra measured on a millisecond time scale and it is validated with comparison with literature data. G. Millot, S. Pitois, M. Yan, T. Hovannysyan, A. Bendahmane, T.W. Hänsch, N. Picqué, Frequency-agile dual-comb spectroscopy, Nature Photonics 10, 27-30 (2016).

Intensity and angle-of-arrival spectra of laser light propagating through axially homogeneous buoyancy-driven turbulence.

PubMed

Pawar, Shashikant S; Arakeri, Jaywant H

2016-08-01

Frequency spectra obtained from the measurements of light intensity and angle of arrival (AOA) of parallel laser light propagating through the axially homogeneous, axisymmetric buoyancy-driven turbulent flow at high Rayleigh numbers in a long (length-to-diameter ratio of about 10) vertical tube are reported. The flow is driven by an unstable density difference created across the tube ends using brine and fresh water. The highest Rayleigh number is about 8×10⁹. The aim of the present work is to find whether the conventional Obukhov-Corrsin scaling or Bolgiano-Obukhov (BO) scaling is obtained for the intensity and AOA spectra in the case of light propagation in a buoyancy-driven turbulent medium. Theoretical relations for the frequency spectra of log amplitude and AOA fluctuations developed for homogeneous isotropic turbulent media are modified for the buoyancy-driven flow in the present case to obtain the asymptotic scalings for the high and low frequency ranges. For low frequencies, the spectra of intensity and vertical AOA fluctuations obtained from measurements follow BO scaling, while scaling for the spectra of horizontal AOA fluctuations shows a small departure from BO scaling.

Time-frequency analysis of phonocardiogram signals using wavelet transform: a comparative study.

PubMed

Ergen, Burhan; Tatar, Yetkin; Gulcur, Halil Ozcan

2012-01-01

Analysis of phonocardiogram (PCG) signals provides a non-invasive means to determine the abnormalities caused by cardiovascular system pathology. In general, time-frequency representation (TFR) methods are used to study the PCG signal because it is one of the non-stationary bio-signals. The continuous wavelet transform (CWT) is especially suitable for the analysis of non-stationary signals and to obtain the TFR, due to its high resolution, both in time and in frequency and has recently become a favourite tool. It decomposes a signal in terms of elementary contributions called wavelets, which are shifted and dilated copies of a fixed mother wavelet function, and yields a joint TFR. Although the basic characteristics of the wavelets are similar, each type of the wavelets produces a different TFR. In this study, eight real types of the most known wavelets are examined on typical PCG signals indicating heart abnormalities in order to determine the best wavelet to obtain a reliable TFR. For this purpose, the wavelet energy and frequency spectrum estimations based on the CWT and the spectra of the chosen wavelets were compared with the energy distribution and the autoregressive frequency spectra in order to determine the most suitable wavelet. The results show that Morlet wavelet is the most reliable wavelet for the time-frequency analysis of PCG signals.

Electromagnetic fluctuation spectra of collective oscillations in magnetized Maxwellian plasmas for parallel wave vectors

NASA Astrophysics Data System (ADS)

Vafin, S.; Schlickeiser, R.; Yoon, P. H.

2016-05-01

The general electromagnetic fluctuation theory for magnetized plasmas is used to calculate the steady-state wave number spectra and total electromagnetic field strength of low-frequency collective weakly damped eigenmodes with parallel wavevectors in a Maxwellian electron-proton plasma. These result from the equilibrium of spontaneous emission and collisionless damping, and they represent the minimum electromagnetic fluctuations guaranteed in quiet thermal space plasmas, including the interstellar and interplanetary medium. Depending on the plasma beta, the ratio of |δB |/B0 can be as high as 10-12 .

Turn-over in pulsar spectra: From young pulsars to millisecond ones

NASA Astrophysics Data System (ADS)

Kijak, J.; Lewandowski, W.; Serylak, M.

2008-02-01

The evidence for turn-over in young pulsar radio spectra at high frequencies is presented. The frequency at which a spectrum shows the maximum flux density is called the peak frequency. This peak frequency appears to depend on pulsar age and dispersion measure. A possible relation with pulsar age is interesting. Millisecond pulsars, which are very old objects, may show no evidence for spectral turn-over down to 100 MHz. Some studied pulsars with turn-over at high frequencies have been shown to have very interesting interstellar environments. This could suggest that the turn-over phenomenon is associated with the enviromental conditions around the neutron stars, rahter than being related intrinsically with the radio emission mechanism. Although there are no earlier reports of such a connection, a more detailed study on larger sample of pulsars is needed to address this idea more quantitatively. In this context, future observations below 200 MHz using LOFAR will allow us to investigate turn-over in radio pulsar spectra.

Doppler-shifting effects on frequency spectra of gravity waves observed near the summer mesopause at high latitude

NASA Technical Reports Server (NTRS)

Fritts, David C.; Wang, Ding-Yi

1991-01-01

Results are presented of radar observations of horizontal and vertical velocities near the summer mesopause at Poker Flat (Alaska), showing that the observed vertical velocity spectra were influenced strongly by Doppler-shifting effects. The horizontal velocity spectra, however, were relatively insensitive to horizontal wind speed. The observed spectra are compared with predicted spectra for various models of the intrinsic motion spectrum and degrees of Doppler shifting.

Spatial structure of directional wave spectra in hurricanes

NASA Astrophysics Data System (ADS)

Esquivel-Trava, Bernardo; Ocampo-Torres, Francisco J.; Osuna, Pedro

2015-01-01

The spatial structure of the wave field during hurricane conditions is studied using the National Data Buoy Center directional wave buoy data set from the Caribbean Sea and the Gulf of Mexico. The buoy information, comprising the directional wave spectra during the passage of several hurricanes, was referenced to the center of the hurricane using the path of the hurricane, the propagation velocity, and the radius of the maximum winds. The directional wave spectra were partitioned into their main components to quantify the energy corresponding to the observed wave systems and to distinguish between wind-sea and swell. The findings are consistent with those found using remote sensing data (e.g., Scanning Radar Altimeter data). Based on the previous work, the highest waves are found in the right forward quadrant of the hurricane, where the spectral shape tends to become uni-modal, in the vicinity of the region of maximum winds. More complex spectral shapes are observed in distant regions at the front of and in the rear quadrants of the hurricane, where there is a tendency of the spectra to become bi- and tri-modal. The dominant waves generally propagate at significant angles to the wind direction, except in the regions next to the maximum winds of the right quadrants. Evidence of waves generated by concentric eyewalls associated with secondary maximum winds was also found. The frequency spectra display some of the characteristics of the JONSWAP spectrum adjusted by Young (J Geophys Res 111:8020, 2006); however, at the spectral peak, the similarity with the Pierson-Moskowitz spectrum is clear. These results establish the basis for the use in assessing the ability of numerical models to simulate the wave field in hurricanes.

LSD-based analysis of high-resolution stellar spectra

NASA Astrophysics Data System (ADS)

Tsymbal, V.; Tkachenko, A.; Van, Reeth T.

2014-11-01

We present a generalization of the method of least-squares deconvolution (LSD), a powerful tool for extracting high S/N average line profiles from stellar spectra. The generalization of the method is effected by extending it towards the multiprofile LSD and by introducing the possibility to correct the line strengths from the initial mask. We illustrate the new approach by two examples: (a) the detection of astroseismic signatures from low S/N spectra of single stars, and (b) disentangling spectra of multiple stellar objects. The analysis is applied to spectra obtained with 2-m class telescopes in the course of spectroscopic ground-based support for space missions such as CoRoT and Kepler. Usually, rather high S/N is required, so smaller telescopes can only compete successfully with more advanced ones when one can apply a technique that enables a remarkable increase in the S/N of the spectra which they observe. Since the LSD profiles have a potential for reconstruction what is common in all the spectral profiles, it should have a particular practical application to faint stars observed with 2-m class telescopes and whose spectra show remarkable LPVs.

Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism and Raman Optical Activity

PubMed Central

Bloino, Julien; Biczysko, Malgorzata; Barone, Vincenzo

2017-01-01

The aim of this paper is twofold. First, we want to report the extension of our virtual multifrequency spectrometer (VMS) to anharmonic intensities for Raman Optical Activity (ROA) with the full inclusion of first- and second-order resonances for both frequencies and intensities in the framework of the generalized second-order vibrational perturbation theory (GVPT2) for all kinds of vibrational spectroscopies. Then, from a more general point of view, we want to present and validate the performance of VMS for the parallel analysis of different vibrational spectra for medium-sized molecules (IR, Raman, VCD, ROA) including both mechanical and electric/magnetic anharmonicity. For the well-known methyloxirane benchmark, careful selection of density functional, basis set, and resonance tresholds permitted to reach qualitative and quantitative vis-à-vis comparison between experimental and computed band positions and shapes. Next, the whole series of halogenated azetidinones is analyzed, showing that it is now possible to interpret different spectra in terms of electronegativity, polarizability, and hindrance variation between closely related substituents, chiral spectroscopies being particular effective in this connection. PMID:26580121

Focusing Leaky Waves: A Class of Electromagnetic Localized Waves with Complex Spectra

NASA Astrophysics Data System (ADS)

Fuscaldo, Walter; Comite, Davide; Boesso, Alessandro; Baccarelli, Paolo; Burghignoli, Paolo; Galli, Alessandro

2018-05-01

Localized waves, i.e., the wide class of limited-diffraction, limited-dispersion solutions to the wave equation are generally characterized by real wave numbers. We consider the role played by localized waves with generally complex "leaky" wave numbers. First, the impact of the imaginary part of the wave number (i.e., the leakage constant) on the diffractive (spatial broadening) features of monochromatic localized solutions (i.e., beams) is rigorously evaluated. Then general conditions are derived to show that only a restricted class of spectra (either real or complex) allows for generating a causal localized wave. It turns out that backward leaky waves fall into this category. On this ground, several criteria for the systematic design of wideband radiators, namely, periodic radial waveguides based on backward leaky waves, are established in the framework of leaky-wave theory. An effective design method is proposed to minimize the frequency dispersion of the proposed class of devices and the impact of the "leakage" on the dispersive (temporal broadening) features of polychromatic localized solutions (i.e., pulses) is accounted for. Numerical results corroborate the concept, clearly highlighting the advantages and limitations of the leaky-wave approach for the generation of localized pulses at millimeter-wave frequencies, where energy focusing is in high demand in modern applications.

High-resolution vertical velocities and their power spectrum observed with the MAARSY radar - Part 1: frequency spectrum

NASA Astrophysics Data System (ADS)

Li, Qiang; Rapp, Markus; Stober, Gunter; Latteck, Ralph

2018-04-01

The Middle Atmosphere Alomar Radar System (MAARSY) installed at the island of Andøya has been run for continuous probing of atmospheric winds in the upper troposphere and lower stratosphere (UTLS) region. In the current study, we present high-resolution wind measurements during the period between 2010 and 2013 with MAARSY. The spectral analysis applying the Lomb-Scargle periodogram method has been carried out to determine the frequency spectra of vertical wind velocity. From a total of 522 days of observations, the statistics of the spectral slope have been derived and show a dependence on the background wind conditions. It is a general feature that the observed spectra of vertical velocity during active periods (with wind velocity > 10 m s-1) are much steeper than during quiet periods (with wind velocity < 10 m s-1). The distribution of spectral slopes is roughly symmetric with a maximum at -5/3 during active periods, whereas a very asymmetric distribution with a maximum at around -1 is observed during quiet periods. The slope profiles along altitudes reveal a significant height dependence for both conditions, i.e., the spectra become shallower with increasing altitudes in the upper troposphere and maintain roughly a constant slope in the lower stratosphere. With both wind conditions considered together the general spectra are obtained and their slopes are compared with the background horizontal winds. The comparisons show that the observed spectra become steeper with increasing wind velocities under quiet conditions, approach a spectral slope of -5/3 at a wind velocity of 10 m s-1 and then roughly maintain this slope (-5/3) for even stronger winds. Our findings show an overall agreement with previous studies; furthermore, they provide a more complete climatology of frequency spectra of vertical wind velocities under different wind conditions.

Acoustic phonon dispersion at hypersonic frequencies in Si and Ge

NASA Astrophysics Data System (ADS)

Kuok, M. H.; Ng, S. C.; Rang, Z. L.; Lockwood, D. J.

2000-11-01

Brillouin spectra of the longitudinal acoustic (LA) mode, traveling along the [001] direction, in silicon and germanium have been recorded in 180° backscattering using 457.9-514.5-nm laser lines. The wave velocity of the LA phonon propagating in the [001] direction was determined at hypersonic frequencies, from the measured acoustic phonon dispersion in silicon and germanium. The elastic modulus c11 of the two semiconductors has been calculated from the respective measured hypersonic wave velocities and the results are compared with values determined from lower-frequency ultrasonic and other measurements. Interestingly, the hypersonic velocities are consistently lower by ~1-2 % than the ultrasonic ones, but they generally agree within the present experimental accuracy.

Important influence of respiration on human R-R interval power spectra is largely ignored

NASA Technical Reports Server (NTRS)

Brown, T. E.; Beightol, L. A.; Koh, J.; Eckberg, D. L.

1993-01-01

Frequency-domain analyses of R-R intervals are used widely to estimate levels of autonomic neural traffic to the human heart. Because respiration modulates autonomic activity, we determined for nine healthy subjects the influence of breathing frequency and tidal volume on R-R interval power spectra (fast-Fourier transform method). We also surveyed published literature to determine current practices in this burgeoning field of scientific inquiry. Supine subjects breathed at rates of 6, 7.5, 10, 15, 17.1, 20, and 24 breaths/min and with nominal tidal volumes of 1,000 and 1,500 ml. R-R interval power at respiratory and low (0.06-0.14 Hz) frequencies declined significantly as breathing frequency increased. R-R interval power at respiratory frequencies was significantly greater at a tidal volume of 1,500 than 1,000 ml. Neither breathing frequency nor tidal volume influenced average R-R intervals significantly. Our review of studies reporting human R-R interval power spectra showed that 51% of the studies controlled respiratory rate, 11% controlled tidal volume, and 11% controlled both respiratory rate and tidal volume. The major implications of our analyses are that breathing parameters strongly influence low-frequency as well as respiratory frequency R-R interval power spectra and that this influence is largely ignored in published research.

Vibration and acoustic frequency spectra for industrial process modeling using selective fusion multi-condition samples and multi-source features

NASA Astrophysics Data System (ADS)

Tang, Jian; Qiao, Junfei; Wu, ZhiWei; Chai, Tianyou; Zhang, Jian; Yu, Wen

2018-01-01

Frequency spectral data of mechanical vibration and acoustic signals relate to difficult-to-measure production quality and quantity parameters of complex industrial processes. A selective ensemble (SEN) algorithm can be used to build a soft sensor model of these process parameters by fusing valued information selectively from different perspectives. However, a combination of several optimized ensemble sub-models with SEN cannot guarantee the best prediction model. In this study, we use several techniques to construct mechanical vibration and acoustic frequency spectra of a data-driven industrial process parameter model based on selective fusion multi-condition samples and multi-source features. Multi-layer SEN (MLSEN) strategy is used to simulate the domain expert cognitive process. Genetic algorithm and kernel partial least squares are used to construct the inside-layer SEN sub-model based on each mechanical vibration and acoustic frequency spectral feature subset. Branch-and-bound and adaptive weighted fusion algorithms are integrated to select and combine outputs of the inside-layer SEN sub-models. Then, the outside-layer SEN is constructed. Thus, "sub-sampling training examples"-based and "manipulating input features"-based ensemble construction methods are integrated, thereby realizing the selective information fusion process based on multi-condition history samples and multi-source input features. This novel approach is applied to a laboratory-scale ball mill grinding process. A comparison with other methods indicates that the proposed MLSEN approach effectively models mechanical vibration and acoustic signals.

A generalized modal shock spectra method for spacecraft loads analysis. [internal loads in a spacecraft structure subjected to a dynamic launch environment

NASA Technical Reports Server (NTRS)

Trubert, M.; Salama, M.

1979-01-01

Unlike an earlier shock spectra approach, generalization permits an accurate elastic interaction between the spacecraft and launch vehicle to obtain accurate bounds on the spacecraft response and structural loads. In addition, the modal response from a previous launch vehicle transient analysis with or without a dummy spacecraft - is exploited to define a modal impulse as a simple idealization of the actual forcing function. The idealized modal forcing function is then used to derive explicit expressions for an estimate of the bound on the spacecraft structural response and forces. Greater accuracy is achieved with the present method over the earlier shock spectra, while saving much computational effort over the transient analysis.

Quantum noise spectra for periodically driven cavity optomechanics

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

THz spectra and corresponding vibrational modes of DNA base pair cocrystals and polynucleotides.

PubMed

Wang, Fang; Zhao, Dongbo; Dong, Hao; Jiang, Ling; Huang, Lin; Liu, Yunfei; Li, Shuhua

2018-07-05

The generalized energy-based fragmentation (GEBF) approach has been applied to study the THz spectra and vibrational modes of base pair cocrystals under periodic boundary conditions (denoted as PBC-GEBF). Results of vibrational mode reveal that hydrogen bonds play a pivotal role in the pairing process of base crystals, where most NH and CH bonds stretch to some extent. We also found that hydrogen bonds of a self-made A:T cocrystal completely break in a transition from liquid to the solid state, while self-made C:G cocrystal is different and easier to form a cocrystal, as confirmed by X-ray diffraction (XRD) and terahertz (THz) spectra. Furthermore, we have studied DNA polynucleotides (in both A and B forms) found that the vibrational modes changed a lot during the process of their forming double strand. Despite the key role played by hydrogen bonds, the key contribution originates from collective motions of the main skeleton. A comparative study of the spectra of some stranded fragments suggests that different sequences or forms have similar spectra in THz band. They distinguish from each other mainly in the low-frequency regions, especially below 1 THz. This study would make great contributions to the molecular dynamics model based DNA long-chain structure simulation in the future study. Copyright © 2018 Elsevier B.V. All rights reserved.

Analysis of high-frequency energy in long-term average spectra of singing, speech, and voiceless fricatives

PubMed Central

Monson, Brian B.; Lotto, Andrew J.; Story, Brad H.

2012-01-01

The human singing and speech spectrum includes energy above 5 kHz. To begin an in-depth exploration of this high-frequency energy (HFE), a database of anechoic high-fidelity recordings of singers and talkers was created and analyzed. Third-octave band analysis from the long-term average spectra showed that production level (soft vs normal vs loud), production mode (singing vs speech), and phoneme (for voiceless fricatives) all significantly affected HFE characteristics. Specifically, increased production level caused an increase in absolute HFE level, but a decrease in relative HFE level. Singing exhibited higher levels of HFE than speech in the soft and normal conditions, but not in the loud condition. Third-octave band levels distinguished phoneme class of voiceless fricatives. Female HFE levels were significantly greater than male levels only above 11 kHz. This information is pertinent to various areas of acoustics, including vocal tract modeling, voice synthesis, augmentative hearing technology (hearing aids and cochlear implants), and training/therapy for singing and speech. PMID:22978902

Comparison of the observed and calculated coherent forward scattering spectra of the 842.5 nm Ar I and 844.6 nm O I lines in a radio frequency glow discharge

NASA Astrophysics Data System (ADS)

Matsuta, Hideyuki

2017-06-01

The coherent forward scattering (CFS) spectra of O I 844.6 nm and Ar I 842.5 nm lines in a radio frequency (RF) glow discharge were measured using a CFS spectrometer that functions in the Faraday configuration with permanent double-ring magnets and a diode-laser source. A significant change in the CFS spectrum of the Ar I 842.5 nm line was observed when the partial pressures of argon in a Hesbnd Ar RF glow discharge were changed . Based on the theoretical calculations of the CFS spectra performed using Faraday functions, a comparison between the observed and calculated spectra was performed. The CFS line profile of O I 844.6 nm and changes in the Ar I 842.5 nm CFS spectrum are explained by theoretical calculations.

- and Frequency-Domain Signatures of Velocity Changing Collisions in Sub-Doppler Saturation Spectra and Pressure Broadening

NASA Astrophysics Data System (ADS)

Hall, Gregory; Xu, Hong; Forthomme, Damien; Dagdigian, Paul; Sears, Trevor

2017-06-01

We have combined experimental and theoretical approaches to the competition between elastic and inelastic collisions of CN radicals with Ar, and how this competition influences time-resolved saturation spectra. Experimentally, we have measured transient, two-color sub-Doppler saturation spectra of CN radicals with an amplitude chopped saturation laser tuned to selected Doppler offsets within rotational lines of the A-X (2-0) band, while scanning a frequency modulated probe laser across the hyperfine-resolved saturation features of corresponding rotational lines of the A-X (1-0) band. A steady-state depletion spectrum includes off-resonant contributions ascribed to velocity diffusion, and the saturation recovery rates depend on the sub-Doppler detuning. The experimental results are compared with Monte Carlo solutions to the Boltzmann equation for the collisional evolution of the velocity distributions of CN radicals, combined with a pressure-dependent and speed-dependent lifetime broadening. Velocity changing collisions are included by appropriately sampling the energy resolved differential cross sections for elastic scattering of selected rotational states of CN (X). The velocity space diffusion of Doppler tagged molecules proceeds through a series of small-angle scattering events, eventually terminating in an inelastic collision that removes the molecule from the coherently driven ensemble of interest. Collision energy-dependent total cross sections and differential cross sections for elastic scattering of selected CN rotational states with Ar were computed with Hibridon quantum scattering calculations, and used for sampling in the Monte Carlo modeling. Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-SC0012704 with the U.S. Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences and Biosciences within the Office of Basic Energy Sciences.

Computer Processing Of Tunable-Diode-Laser Spectra

NASA Technical Reports Server (NTRS)

May, Randy D.

1991-01-01

Tunable-diode-laser spectrometer measuring transmission spectrum of gas operates under control of computer, which also processes measurement data. Measurements in three channels processed into spectra. Computer controls current supplied to tunable diode laser, stepping it through small increments of wavelength while processing spectral measurements at each step. Program includes library of routines for general manipulation and plotting of spectra, least-squares fitting of direct-transmission and harmonic-absorption spectra, and deconvolution for determination of laser linewidth and for removal of instrumental broadening of spectral lines.

Ultra-narrow EIA spectra of 85Rb atom in a degenerate Zeeman multiplet system

NASA Astrophysics Data System (ADS)

Rehman, Hafeez Ur; Qureshi, Muhammad Mohsin; Noh, Heung-Ryoul; Kim, Jin-Tae

2015-05-01

Ultra-narrow EIA spectral features of thermal 85Rb atom with respect to coupling Rabi frequencies in a degenerate Zeeman multiplet system have been unraveled in the cases of same (σ+ -σ+ , π ∥ π) and orthogonal (σ+ -σ- , π ⊥ π)polarization configurations. The EIA signals with subnatural linewidth of ~ 100 kHz even in the cases of same circular and linear polarizations of coupling and probe laser have been obtained for the first time theoretically and experimentally. In weak coupling power limit of orthogonal polarization configurations, time-dependent transfer of coherence plays major role in the splitting of the EIA spectra while in strong coupling power, Mollow triplet-like mechanism due to strong power bring into broad split feature. The experimental ultra-narrow EIA features using one laser combined with an AOM match well with simulated spectra obtained by using generalized time-dependent optical Bloch equations.

Artificial neural networks for retrieving absorption and reduced scattering spectra from frequency-domain diffuse reflectance spectroscopy at short source-detector separation

PubMed Central

Chen, Yu-Wen; Chen, Chien-Chih; Huang, Po-Jung; Tseng, Sheng-Hao

2016-01-01

Diffuse reflectance spectroscopy (DRS) based on the frequency-domain (FD) technique has been employed to investigate the optical properties of deep tissues such as breast and brain using source to detector separation up to 40 mm. Due to the modeling and system limitations, efficient and precise determination of turbid sample optical properties from the FD diffuse reflectance acquired at a source-detector separation (SDS) of around 1 mm has not been demonstrated. In this study, we revealed that at SDS of 1 mm, acquiring FD diffuse reflectance at multiple frequencies is necessary for alleviating the influence of inevitable measurement uncertainty on the optical property recovery accuracy. Furthermore, we developed artificial neural networks (ANNs) trained by Monte Carlo simulation generated databases that were capable of efficiently determining FD reflectance at multiple frequencies. The ANNs could work in conjunction with a least-square optimization algorithm to rapidly (within 1 second), accurately (within 10%) quantify the sample optical properties from FD reflectance measured at SDS of 1 mm. In addition, we demonstrated that incorporating the steady-state apparatus into the FD DRS system with 1 mm SDS would enable obtaining broadband absorption and reduced scattering spectra of turbid samples in the wavelength range from 650 to 1000 nm. PMID:27446671

Visual adaptation and the amplitude spectra of radiological images.

PubMed

Kompaniez-Dunigan, Elysse; Abbey, Craig K; Boone, John M; Webster, Michael A

2018-01-01

We examined how visual sensitivity and perception are affected by adaptation to the characteristic amplitude spectra of X-ray mammography images. Because of the transmissive nature of X-ray photons, these images have relatively more low-frequency variability than natural images, a difference that is captured by a steeper slope of the amplitude spectrum (~ - 1.5) compared to the ~ 1/f (slope of - 1) spectra common to natural scenes. Radiologists inspecting these images are therefore exposed to a different balance of spectral components, and we measured how this exposure might alter spatial vision. Observers (who were not radiologists) were adapted to images of normal mammograms or the same images sharpened by filtering the amplitude spectra to shallower slopes. Prior adaptation to the original mammograms significantly biased judgments of image focus relative to the sharpened images, demonstrating that the images are sufficient to induce substantial after-effects. The adaptation also induced strong losses in threshold contrast sensitivity that were selective for lower spatial frequencies, though these losses were very similar to the threshold changes induced by the sharpened images. Visual search for targets (Gaussian blobs) added to the images was also not differentially affected by adaptation to the original or sharper images. These results complement our previous studies examining how observers adapt to the textural properties or phase spectra of mammograms. Like the phase spectrum, adaptation to the amplitude spectrum of mammograms alters spatial sensitivity and visual judgments about the images. However, unlike the phase spectrum, adaptation to the amplitude spectra did not confer a selective performance advantage relative to more natural spectra.

Maturation of EEG Power Spectra in Early Adolescence: A Longitudinal Study

ERIC Educational Resources Information Center

Cragg, Lucy; Kovacevic, Natasa; McIntosh, Anthony Randal; Poulsen, Catherine; Martinu, Kristina; Leonard, Gabriel; Paus, Tomas

2011-01-01

This study investigated the fine-grained development of the EEG power spectra in early adolescence, and the extent to which it is reflected in changes in peak frequency. It also sought to determine whether sex differences in the EEG power spectra reflect differential patterns of maturation. A group of 56 adolescents were tested at age 10 years and…

Millimeter and submillimeter wave spectra of mono-13C-acetaldehydes

NASA Astrophysics Data System (ADS)

Margulès, L.; Motiyenko, R. A.; Ilyushin, V. V.; Guillemin, J. C.

2015-07-01

Context. The acetaldehyde molecule is ubiquitous in the interstellar medium of our galaxy, and due to its dense and complex spectrum, large dipole moment, and several low-lying torsional states, acetaldehyde is considered to be a "weed" molecule for radio astronomy observations. Mono-13C acetaldehydes 13CH3CHO and CH313CHO are likely to be identified in astronomical surveys, such as those available with the very sensitive ALMA telescope. Laboratory measurements and analysis of the millimeter and submillimeter-wave spectra are the prerequisites for the successful radioastronomical search for the new interstellar molecular species, as well as for new isotopologs of already detected interstellar molecules. Aims: In this context, to provide reliable predictions of 13CH3CHO and CH313CHO spectra in millimeter and submillimeter wave ranges, we study rotational spectra of these species in the frequency range from 50 to 945 GHz. Methods: The spectra of mono-13C acetaldehydes were recorded using the spectrometer based on Schottky-diode frequencymultiplication chains in the Lille laboratory. The rotational spectra of 13CH3CHO and CH313CHO molecules were analyzed using the Rho axis method. Results: In the recorded spectra we have assigned 6884 for the 13CH3CHO species and 6458 for CH313CHO species new rotational transitions belonging to the ground, first, and second excited torsional states. These measurements were fitted together with previously published data to the Hamiltonian models that use 91 and 87 parameters to achieve overall weighted rms deviations 0.88 for the 13CH3CHO species and 0.95 for CH313CHO. On the basis of the new spectroscopic results, predictions of transition frequencies in the frequency range up to 1 THz with J ≤ 60 and Ka ≤ 20 are presented for both isotopologs. Full Tables 3-6 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/579/A46

Energy spectra of X-ray clusters of galaxies

NASA Technical Reports Server (NTRS)

Avni, Y.

1976-01-01

A procedure for estimating the ranges of parameters that describe the spectra of X-rays from clusters of galaxies is presented. The applicability of the method is proved by statistical simulations of cluster spectra; such a proof is necessary because of the nonlinearity of the spectral functions. Implications for the spectra of the Perseus, Coma, and Virgo clusters are discussed. The procedure can be applied in more general problems of parameter estimation.

Computing frequency by using generalized zero-crossing applied to intrinsic mode functions

NASA Technical Reports Server (NTRS)

Huang, Norden E. (Inventor)

2006-01-01

This invention presents a method for computing Instantaneous Frequency by applying Empirical Mode Decomposition to a signal and using Generalized Zero-Crossing (GZC) and Extrema Sifting. The GZC approach is the most direct, local, and also the most accurate in the mean. Furthermore, this approach will also give a statistical measure of the scattering of the frequency value. For most practical applications, this mean frequency localized down to quarter of a wave period is already a well-accepted result. As this method physically measures the period, or part of it, the values obtained can serve as the best local mean over the period to which it applies. Through Extrema Sifting, instead of the cubic spline fitting, this invention constructs the upper envelope and the lower envelope by connecting local maxima points and local minima points of the signal with straight lines, respectively, when extracting a collection of Intrinsic Mode Functions (IMFs) from a signal under consideration.

Contribution to the study of turbulence spectra

NASA Technical Reports Server (NTRS)

Dumas, R.

1979-01-01

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

Testing General Relativity with Low-Frequency, Space-Based Gravitational-Wave Detectors.

PubMed

Gair, Jonathan R; Vallisneri, Michele; Larson, Shane L; Baker, John G

2013-01-01

We review the tests of general relativity that will become possible with space-based gravitational-wave detectors operating in the ∼ 10 -5 - 1 Hz low-frequency band. The fundamental aspects of gravitation that can be tested include the presence of additional gravitational fields other than the metric; the number and tensorial nature of gravitational-wave polarization states; the velocity of propagation of gravitational waves; the binding energy and gravitational-wave radiation of binaries, and therefore the time evolution of binary inspirals; the strength and shape of the waves emitted from binary mergers and ringdowns; the true nature of astrophysical black holes; and much more. The strength of this science alone calls for the swift implementation of a space-based detector; the remarkable richness of astrophysics, astronomy, and cosmology in the low-frequency gravitational-wave band make the case even stronger.

Vibrational spectra from atomic fluctuations in dynamics simulations. I. Theory, limitations, and a sample application

NASA Astrophysics Data System (ADS)

Schmitz, Matthias; Tavan, Paul

2004-12-01

Hybrid molecular dynamics (MD) simulations, which combine density functional theory (DFT) descriptions of a molecule with a molecular mechanics (MM) modeling of its solvent environment, have opened the way towards accurate computations of solvation effects in the vibrational spectra of molecules. Recently, Wheeler et al. [ChemPhysChem 4, 382 (2002)] have suggested to compute these spectra from DFT/MM-MD trajectories by diagonalizing the covariance matrix of atomic fluctuations. This so-called principal mode analysis (PMA) allegedly can replace the well-established approaches, which are based on Fourier transform methods or on conventional normal mode analyses. By scrutinizing and revising the PMA approach we identify five conditions, which must be guaranteed if PMA is supposed to render exact vibrational frequencies. Besides specific choices of (a) coordinates and (b) coordinate systems, these conditions cover (c) a harmonic intramolecular potential, (d) a complete thermal equilibrium within the molecule, and (e) a molecular Hamiltonian independent of time. However, the PMA conditions [(c)-(d)] and [(c)-(e)] are generally violated in gas phase DFT-MD and liquid phase DFT/MM-MD trajectories, respectively. Based on a series of simple analytical model calculations and on the analysis of MD trajectories calculated for the formaldehyde molecule in the gas phase (DFT) and in liquid water (DFT/MM) we show that in both phases the violation of condition (d) can cause huge errors in PMA frequency computations, whereas the inevitable violations of conditions (c) and (e), the latter being generic to the liquid phase, imply systematic and sizable underestimates of the vibrational frequencies by PMA. We demonstrate that the huge errors, which are caused by an incomplete thermal equilibrium violating (d), can be avoided if one introduces mode-specific temperatures Tj and calculates the frequencies from a "generalized virial" (GV) expression instead from PMA. Concerning ways to

Flat microwave spectra seen at X-class flares

NASA Technical Reports Server (NTRS)

Lee, Jeongwoo W.; Gary, Dale E.; Zirin, H.

1994-01-01

We report peculiar spectral activity of four large microwave bursts as obtained from the Solar Arrays at the Owens Valey Radio Observatory during observations of X-class flares on 24 May 1990 and 7, 8, 22 March 1991. Main observational points that we newly uncovered are: (1) flat flux spectra over 1-18 GHz in large amounts of flux ranging from 10(exp 2) to 10(exp 4) s.f.u. at the maximum phase, (2) a common evolutionary pattern in which the spectral region of dominant flux shifts from high frequencies at the initial rise to low frequencies at the decaying phase, and (3) unusual time profiles that are impulsive at high frequencies but more extended at lower frequencies. We carry out the model calculations of microwave spectra under assumptions of gyrosynchrotron mechanism and a dipole field configuration to reproduce the observational characteristics. Our results are summarized as follows. First, a flat microwave spectrum reaching up to 10(exp 2) - 10(exp 4) s.f.u. may occur in a case where a magnetic loop is extended to an angular size of approximately (0.7-7.0) x 10(exp -7) sterad and contains a huge number (N(E greater than 10 keV) approx. 10(exp 36) - 10(exp 38)) of nonthermal electrons with power-law index approx. 3-3.5 over the entire volume. Second, the observed spectral activity could adequately be accounted for by the shrinking of the region of nonthermal electrons to the loop top and by the softening of the power-law spectrum of electrons in a time scale ranging 3-45 min depending on the event. Third, the extended microwave activity at lower frequencies is probably due to electrons trapped in the loop top where magnetic fields are low. Finally, we clarify the physical distinction between these large, extended microwave bursts and the gradual/post-microwave bursts often seen in weak events, both of which are characterized by long-period activity and broadband spectra.

Raman spectra of solid benzene under high pressure

NASA Technical Reports Server (NTRS)

Thiery, M.-M.; Kobashi, K.; Spain, I. L.

1985-01-01

Raman spectra of solid benzene have been measured at room temperature up to about 140 kbar, using the diamond anvil cell. Effort has been focused upon the lattice vibration spectra at pressures above that of phase II. It is found that a change in slopes occurs in the frequency-pressure curves at about 40 kbar. Furthermore, a new band appears above 90 kbar. These features probably correspond respectively to the II-III phase transition, which has been reported previously, and a III-IV phase transition, reported here for the first time.

Computer-generated predictions of the structure and of the IR and Raman spectra of VX. Final report, May-August 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hameka, H.F.; Jensen, J.O.

1993-05-01

This report presents the computed optimized geometry and vibrational IR and Raman frequencies of the V-agent VX. The computations are performed with the Gaussian 90 Program Package using 6-31G* basis sets. We assign the vibrational frequencies and correct each frequency by multiplying it with a previously derived 6-31G* correction factor. The result is a computer-generated prediction of the IR and Raman spectra of VX. This study was intended as a blind test of the utility of IR spectral prediction. Therefore, we intentionally did not look at experimental data on the IR and Raman spectra of VX.... IR Spectra, VX, Ramanmore » spectra, Computer predictions.« less

Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids.

PubMed

Shanthi, M; Kabilan, S

2007-06-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Substituent and solvent effects on electronic spectra of some substituted phenoxyacetic acids

NASA Astrophysics Data System (ADS)

Shanthi, M.; Kabilan, S.

2007-06-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 19 para- and ortho-substituted phenoxyacetic acids in the range of 200-400 nm. The effects of substituent on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Spectra of Baroclinic Inertia-Gravity Wave Turbulence

NASA Technical Reports Server (NTRS)

Glazman, Roman E.

1996-01-01

Baroclinic inertia-gravity (IG) waves form a persistent background of thermocline depth and sea surface height oscillations. They also contribute to the kinetic energy of horizontal motions in the subsurface layer. Measured by the ratio of water particle velocity to wave phase speed, the wave nonlinearity may be rather high. Given a continuous supply of energy from external sources, nonlinear wave-wave interactions among IG waves would result in inertial cascades of energy, momentum, and wave action. Based on a recently developed theory of wave turbulence in scale-dependent systems, these cascades are investigated and IG wave spectra are derived for an arbitrary degree of wave nonlinearity. Comparisons with satellite-altimetry-based spectra of surface height variations and with energy spectra of horizontal velocity fluctuations show good agreement. The well-known spectral peak at the inertial frequency is thus explained as a result of the inverse cascade. Finally, we discuss a possibility of inferring the internal Rossby radius of deformation and other dynamical properties of the upper thermocline from the spectra of SSH (sea surface height) variations based on altimeter measurements.

The RF spectra of first and subsequent lightning return strokes in the 1- to 200-km range

NASA Technical Reports Server (NTRS)

Serhan, G. I.; Uman, M. A.; Childers, D. G.; Lin, Y. T.

1980-01-01

An experimental characterization of the frequency spectra of first and subsequent stroke electric fields are presented over a distance range from about 1 km, where the fields are primarily electrostatic, to 200 km, where they are primarily radiation. Spectra are presented to about 700 kHz for lightning within 12 km and to about 300 kHz for lightning at 50 and 200 km. It is shown that the return stroke ground wave spectrum beyond 50 km has a peak near 4 kHz but that within 10 km the spectrum shows a steady increase with decreasing frequency to 1 kHz. Frequency spectra at all ranges fall off roughly as 1/f for frequencies between 5 and 100 kHz, while the falloff above 100 kHz is faster as the distance to the stroke increases. From this high-frequency attenuation an RF conductivity for central Florida of between 0.002 and 0.005/ohm/m was determined.

Identifying Broadband Rotational Spectra with Neural Networks

NASA Astrophysics Data System (ADS)

Zaleski, Daniel P.; Prozument, Kirill

2017-06-01

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

Microresonator Frequency Comb Optical Clock

DTIC Science & Technology

2014-07-22

lithic construction with small size and power consumption. Microcomb development has included frequency control of their spectra [8–11...frequency f eo and amplified to a maximum of 140 mW. The first-order sideband powers are approximately 3 dB lower than the pump, and the piece of highly...resonator offers sufficient peak power for our experiments and is stable and repeatable even for different settings of pump frequency and power

Chemical composition of matrix-embedded ternary II-VI nanocrystals derived from first- and second-order Raman spectra

NASA Astrophysics Data System (ADS)

Azhniuk, Yu. M.; Hutych, Yu. I.; Lopushansky, V. V.; Prymak, M. V.; Gomonnai, A. V.; Zahn, D. R. T.

2016-12-01

A one- and multiphonon Raman scattering study is performed for an extensive set of CdS1-xSex, Cd1-yZnyS, Cd1-yZnySe, and CdSe1-xTex nanocrystals to investigate the applicability of first- and second-order Raman spectra for the determination of the matrix-embedded ternary nanocrystal composition. For one-mode ternary systems both the LO and 2LO phonon frequencies in the Raman spectra are shown to be a good measure of the nanocrystal composition. For two-mode systems, the approaches based on the difference of the LO phonon frequencies (first-order Raman spectra) or double LO overtone and combination tone frequencies (second-order Raman spectra) as well as on the LO phonon band intensity ratios are analysed. The weak electron-phonon coupling in the II-VI nanocrystals and the polaron constant values for the nanocrystal sublattices are discussed.

A general theory on frequency and time-frequency analysis of irregularly sampled time series based on projection methods - Part 1: Frequency analysis

NASA Astrophysics Data System (ADS)

Lenoir, Guillaume; Crucifix, Michel

2018-03-01

We develop a general framework for the frequency analysis of irregularly sampled time series. It is based on the Lomb-Scargle periodogram, but extended to algebraic operators accounting for the presence of a polynomial trend in the model for the data, in addition to a periodic component and a background noise. Special care is devoted to the correlation between the trend and the periodic component. This new periodogram is then cast into the Welch overlapping segment averaging (WOSA) method in order to reduce its variance. We also design a test of significance for the WOSA periodogram, against the background noise. The model for the background noise is a stationary Gaussian continuous autoregressive-moving-average (CARMA) process, more general than the classical Gaussian white or red noise processes. CARMA parameters are estimated following a Bayesian framework. We provide algorithms that compute the confidence levels for the WOSA periodogram and fully take into account the uncertainty in the CARMA noise parameters. Alternatively, a theory using point estimates of CARMA parameters provides analytical confidence levels for the WOSA periodogram, which are more accurate than Markov chain Monte Carlo (MCMC) confidence levels and, below some threshold for the number of data points, less costly in computing time. We then estimate the amplitude of the periodic component with least-squares methods, and derive an approximate proportionality between the squared amplitude and the periodogram. This proportionality leads to a new extension for the periodogram: the weighted WOSA periodogram, which we recommend for most frequency analyses with irregularly sampled data. The estimated signal amplitude also permits filtering in a frequency band. Our results generalise and unify methods developed in the fields of geosciences, engineering, astronomy and astrophysics. They also constitute the starting point for an extension to the continuous wavelet transform developed in a companion

Detection of changes of high-frequency activity by statistical time-frequency analysis in epileptic spikes

PubMed Central

Kobayashi, Katsuhiro; Jacobs, Julia; Gotman, Jean

2013-01-01

Objective A novel type of statistical time-frequency analysis was developed to elucidate changes of high-frequency EEG activity associated with epileptic spikes. Methods The method uses the Gabor Transform and detects changes of power in comparison to background activity using t-statistics that are controlled by the false discovery rate (FDR) to correct type I error of multiple testing. The analysis was applied to EEGs recorded at 2000 Hz from three patients with mesial temporal lobe epilepsy. Results Spike-related increase of high-frequency oscillations (HFOs) was clearly shown in the FDR-controlled t-spectra: it was most dramatic in spikes recorded from the hippocampus when the hippocampus was the seizure onset zone (SOZ). Depression of fast activity was observed immediately after the spikes, especially consistently in the discharges from the hippocampal SOZ. It corresponded to the slow wave part in case of spike-and-slow-wave complexes, but it was noted even in spikes without apparent slow waves. In one patient, a gradual increase of power above 200 Hz preceded spikes. Conclusions FDR-controlled t-spectra clearly detected the spike-related changes of HFOs that were unclear in standard power spectra. Significance We developed a promising tool to study the HFOs that may be closely linked to the pathophysiology of epileptogenesis. PMID:19394892

Vibrational spectra of cyclopentadienyl chlorides of titanium, zirconium and hafnium. internal rotation and thermodynamic functions

NASA Astrophysics Data System (ADS)

Balducci, G.; Bencivenni, L.; De Rosa, G.; Gigli, R.; Martine, B.; Cesaro, S. Nunziante

1980-05-01

The infrared and Raman spectra of some cyclopentadienyl compounds of the transition metals, namely Ti(C 5H 5)Cl 3 and M(C 5H 5) 2Cl 2 (M = Ti, Zr and Hf), are reported and discussed. The infrared spectra of the gaseous species isolated in argon matrices at 10 K provide structural information about the single molecules. Particular attention has been paid to the low-frequency region in order to achieve more reliable assignments for the internal-rotation modes. The structural data and the fundamental frequencies derived from the spectra are employed in a calculation of the thermodynamic functions for these compounds in the ideal gas state.

On the information content of natural frequency spectra associated with different angular numbers. [acoustic velocity in vibrating fluid sphere model of earth structure

NASA Technical Reports Server (NTRS)

Barcilon, V.

1978-01-01

The problem of inferring the speed of sound in a contained spherically symmetric fluid solely from its natural frequencies of vibration is considered. An investigation of the case in which the data consist of the two spectra associated with the angular numbers 0 and 1, suggests the possibility that a one-parameter family of slowness profiles can be constructed. These profiles are compatible with the data, up to first order in the non-uniformity of the fluid. It is conjectured that for other angular numbers, the loss of information increases as the difference between them increases.

Blue spectra of Kalb-Ramond axions and fully anisotropic string cosmologies

NASA Astrophysics Data System (ADS)

Giovannini, Massimo

1999-03-01

The inhomogeneities associated with massless Kalb-Ramond axions can be amplified not only in isotropic (four-dimensional) string cosmological models but also in the fully anisotropic case. If the background geometry is isotropic, the axions (which are not part of the homogeneous background) develop outside the horizon, the growing modes leading, ultimately, to logarithmic energy spectra which are ``red'' in frequency and increase at large distance scales. We show that this conclusion can be avoided not only in the case of higher dimensional backgrounds with contracting internal dimensions but also in the case of string cosmological scenarios which are completely anisotropic in four dimensions. In this case the logarithmic energy spectra turn out to be ``blue'' in frequency and, consequently, decreasing at large distance scales. We elaborate on anisotropic dilaton-driven models and we argue that, incidentally, the background models leading to blue (or flat) logarithmic energy spectra for axionic fluctuations are likely to be isotropized by the effect of string tension corrections.

Molecular structure and vibrational spectra of Irinotecan: a density functional theoretical study.

PubMed

Chinna Babu, P; Sundaraganesan, N; Sudha, S; Aroulmoji, V; Murano, E

2012-12-01

The solid phase FTIR and FT-Raman spectra of Irinotecan have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by density functional theory (DFT) using B3LYP method with 6-31G(d) as basis set. The vibrational frequencies were calculated for Irinotecan by DFT method and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. The infrared spectrum was also simulated from the calculated intensities. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2012 Elsevier B.V. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

A model for gravity-wave spectra observed by Doppler sounding systems

NASA Technical Reports Server (NTRS)

Vanzandt, T. E.

1986-01-01

A model for Mesosphere - Stratosphere - Troposphere (MST) radar spectra is developed following the formalism presented by Pinkel (1981). Expressions for the one-dimensional spectra of radial velocity versus frequency and versus radial wave number are presented. Their dependence on the parameters of the gravity-wave spectrum and on the experimental parameters, radar zenith angle and averaging time are described and the conditions for critical tests of the gravity-wave hypothesis are discussed. The model spectra is compared with spectra observed in the Arctic summer mesosphere by the Poker Flat radar. This model applies to any monostatic Doppler sounding system, including MST radar, Doppler lidar and Doppler sonar in the atmosphere, and Doppler sonar in the ocean.

Broadband midinfrared frequency comb with tooth scanning

NASA Astrophysics Data System (ADS)

Lee, Kevin F.; Masłowski, P.; Mills, A.; Mohr, C.; Jiang, Jie; Schunemann, Peter G.; Fermann, M. E.

2015-03-01

Frequency combs are a massively parallel source of extremely accurate optical frequencies. Frequency combs generally operate at the visible or near-infrared wavelengths, but fundamental molecular vibrations occur at midinfrared wavelengths. We demonstrate an optically-referenced, broadband midinfrared frequency comb based on a doublyresonant optical parametric oscillator (OPO). By tuning the wavelength of the reference laser, the comb line frequencies are tuned as well. By scanning the reference wavelength, any frequency can be accessed, not just the frequencies of the base comb. Combined with our comb-resolving Fourier transform spectrometer, we can measure 200 wavenumber wide broadband absorption spectra with 200 kHz linewidth comb teeth. Our OPO is pumped by an amplified Tm fiber frequency comb, with phase-locked carrier envelope offset frequency, and repetition rate fixed by phase-locking a frequency comb line to a narrow linewidth diode laser at a telecom channel. The frequency comb is referenced to GPS by long-term stabilization of the repetition rate to a selected value using the temperature of the reference laser as the control. The resulting pump comb is about 3W of 100 fs pulses at 418 MHz repetition rate at 1950 nm. Part of the comb is used for supercontinuum generation for frequency stabilization, and the rest pumps an orientation-patterned gallium arsenide (OP-GaAs) crystal in a doubly-resonant optical parametric oscillator cavity, yielding collinear signal and idler beams from about 3 to 5.5 μm. We verify comb scanning by resolving the 200 MHz wide absorption lines of the entire fundamental CO vibrational manifold at 11 Torr pressure.

Fluctuation spectra in the NASA Lewis bumpy-torus plasma

NASA Technical Reports Server (NTRS)

Singh, C. M.; Krawczonek, W. M.; Roth, J. R.; Hong, J. Y.; Powers, E. J.

1978-01-01

The electrostatic potential fluctuation spectrum in the NASA Lewis bumpy-torus plasma was studied with capacitive probes in the low pressure (high impedance) mode and in the high pressure (low impedance) mode. Under different operating conditions, the plasma exhibited electrostatic potential fluctuations (1) at a set of discrete frequencies, (2) at a continuum of frequencies, and (3) as incoherent high-frequency turbulence. The frequencies and azimuthal wave numbers were determined from digitally implemented autopower and cross-power spectra. The azimuthal dispersion characteristics of the unstable waves were examined by varying the electrode voltage, the polarity of the voltage, and the neutral background density at a constant magnetic field strength.

The Frequency-dependent Damping of Slow Magnetoacoustic Waves in a Sunspot Umbral Atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prasad, S. Krishna; Jess, D. B.; Doorsselaere, T. Van

High spatial and temporal resolution images of a sunspot, obtained simultaneously in multiple optical and UV wavelengths, are employed to study the propagation and damping characteristics of slow magnetoacoustic waves up to transition region heights. Power spectra are generated from intensity oscillations in sunspot umbra, across multiple atmospheric heights, for frequencies up to a few hundred mHz. It is observed that the power spectra display a power-law dependence over the entire frequency range, with a significant enhancement around 5.5 mHz found for the chromospheric channels. The phase difference spectra reveal a cutoff frequency near 3 mHz, up to which themore » oscillations are evanescent, while those with higher frequencies propagate upward. The power-law index appears to increase with atmospheric height. Also, shorter damping lengths are observed for oscillations with higher frequencies suggesting frequency-dependent damping. Using the relative amplitudes of the 5.5 mHz (3 minute) oscillations, we estimate the energy flux at different heights, which seems to decay gradually from the photosphere, in agreement with recent numerical simulations. Furthermore, a comparison of power spectra across the umbral radius highlights an enhancement of high-frequency waves near the umbral center, which does not seem to be related to magnetic field inclination angle effects.« less

Turbulence in planetary occultations. IV - Power spectra of phase and intensity fluctuations

NASA Technical Reports Server (NTRS)

Haugstad, B. S.

1979-01-01

Power spectra of phase and intensity scintillations during occultation by turbulent planetary atmospheres are significantly affected by the inhomogeneous background upon which the turbulence is superimposed. Such coupling is particularly pronounced in the intensity, where there is also a marked difference in spectral shape between a central and grazing occultation. While the former has its structural features smoothed by coupling to the inhomogeneous background, such features are enhanced in the latter. Indeed, the latter power spectrum peaks around the characteristic frequency that is determined by the size of the free-space Fresnel zone and the ray velocity in the atmosphere; at higher frequencies strong fringes develop in the power spectrum. A confrontation between the theoretical scintillation spectra computed here and those calculated from the Mariner 5 Venus mission by Woo et al. (1974) is inconclusive, mainly because of insufficient statistical resolution. Phase and/or intensity power spectra computed from occultation data may be used to deduce characteristics of the turbulence and to distinguish turbulence from other perturbations in the refractive index. Such determinations are facilitated if observations are made at two or more frequencies (radio occultation) or in two or more colors (stellar occultation).

Moments, magnitudes, and radiated energies of non-volcanic tremor near Cholame, CA, from ground motion spectra at UPSAR

USGS Publications Warehouse

Fletcher, Joe B.; McGarr, A.

2011-01-01

By averaging the spectra of events within two episodes of tremor (on Jan. 21 and 24, 2005) across the 12 stations of UPSAR, we improved the S/N sufficiently to define source spectra. Analysis of eleven impulsive events revealed attenuation-corrected spectra of displacement similar to those of earthquakes, with a low-frequency plateau, a corner frequency, and a high frequency decay proportional to f−2. Seismic moments, M0, estimated from these spectra range from about 3 to 10 × 1011 N-m or moment magnitudes in the range 1.6 to 1.9. The corner frequencies range from 2.6 to 7.2 Hz and, if interpreted in the same way as for earthquakes, indicate low stress drops that vary from 0.001 to 0.04 MPa. Seismic energies, estimated from the ground motion spectra, vary from 0.2 × 105 to 4.4 × 105 J, or apparent stresses in the range 0.002 to 0.02 MPa. The low stress parameters are consistent with a weak fault zone in the lower crust at the depth of tremor. In contrast, the same analysis on a micro-earthquake, located near Cholame (depth = 10.3 km), revealed a stress drop of 0.5 MPa and an apparent stress of 0.02 MPa. Residual spectra from ω−2 model fits to the displacement spectra of the non-volcanic tremor events show peaks near 4 Hz that are not apparent in the spectra for the microearthquake nor for the spectrum of earth noise. These spectral peaks may indicate that tremor entails more than shear failure reminiscent of mechanisms, possibly entailing fluid flow, associated with volcanic tremor or deep volcanic earthquakes.

Correction of electrode modelling errors in multi-frequency EIT imaging.

PubMed

Jehl, Markus; Holder, David

2016-06-01

The differentiation of haemorrhagic from ischaemic stroke using electrical impedance tomography (EIT) requires measurements at multiple frequencies, since the general lack of healthy measurements on the same patient excludes time-difference imaging methods. It has previously been shown that the inaccurate modelling of electrodes constitutes one of the largest sources of image artefacts in non-linear multi-frequency EIT applications. To address this issue, we augmented the conductivity Jacobian matrix with a Jacobian matrix with respect to electrode movement. Using this new algorithm, simulated ischaemic and haemorrhagic strokes in a realistic head model were reconstructed for varying degrees of electrode position errors. The simultaneous recovery of conductivity spectra and electrode positions removed most artefacts caused by inaccurately modelled electrodes. Reconstructions were stable for electrode position errors of up to 1.5 mm standard deviation along both surface dimensions. We conclude that this method can be used for electrode model correction in multi-frequency EIT.

Smoothed Spectra, Ogives, and Error Estimates for Atmospheric Turbulence Data

NASA Astrophysics Data System (ADS)

Dias, Nelson Luís

2018-01-01

A systematic evaluation is conducted of the smoothed spectrum, which is a spectral estimate obtained by averaging over a window of contiguous frequencies. The technique is extended to the ogive, as well as to the cross-spectrum. It is shown that, combined with existing variance estimates for the periodogram, the variance—and therefore the random error—associated with these estimates can be calculated in a straightforward way. The smoothed spectra and ogives are biased estimates; with simple power-law analytical models, correction procedures are devised, as well as a global constraint that enforces Parseval's identity. Several new results are thus obtained: (1) The analytical variance estimates compare well with the sample variance calculated for the Bartlett spectrum and the variance of the inertial subrange of the cospectrum is shown to be relatively much larger than that of the spectrum. (2) Ogives and spectra estimates with reduced bias are calculated. (3) The bias of the smoothed spectrum and ogive is shown to be negligible at the higher frequencies. (4) The ogives and spectra thus calculated have better frequency resolution than the Bartlett spectrum, with (5) gradually increasing variance and relative error towards the low frequencies. (6) Power-law identification and extraction of the rate of dissipation of turbulence kinetic energy are possible directly from the ogive. (7) The smoothed cross-spectrum is a valid inner product and therefore an acceptable candidate for coherence and spectral correlation coefficient estimation by means of the Cauchy-Schwarz inequality. The quadrature, phase function, coherence function and spectral correlation function obtained from the smoothed spectral estimates compare well with the classical ones derived from the Bartlett spectrum.

[Raman, FTIR spectra and normal mode analysis of acetanilide].

PubMed

Liang, Hui-Qin; Tao, Ya-Ping; Han, Li-Gang; Han, Yun-Xia; Mo, Yu-Jun

2012-10-01

The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.

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

NASA Technical Reports Server (NTRS)

Austin, Richard T.; England, Anthony W.

1993-01-01

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

Kinetic energy and scalar spectra in high Rayleigh number axially homogeneous buoyancy driven turbulence

NASA Astrophysics Data System (ADS)

Pawar, Shashikant S.; Arakeri, Jaywant H.

2016-06-01

Kinetic energy and scalar spectra from the measurements in high Rayleigh number axially homogeneous buoyancy driven turbulent flow are presented. Kinetic energy and concentration (scalar) spectra are obtained from the experiments wherein density difference is created using brine and fresh water and temperature spectra are obtained from the experiments in which heat is used. Scaling of the frequency spectra of lateral and longitudinal velocity near the tube axis is closer to the Kolmogorov-Obukhov scaling, while the scalar spectra show some evidence of dual scaling, Bolgiano-Obukhov scaling followed by Obukhov-Corrsin scaling. These scalings are also observed in the corresponding second order spatial structure functions of velocity and concentration fluctuations.

Modeling the Conformation-Specific Infrared Spectra of N-Alkylbenzenes

NASA Astrophysics Data System (ADS)

Tabor, Daniel P.; Sibert, Edwin; Hewett, Daniel M.; Korn, Joseph A.; Zwier, Timothy S.

2016-06-01

Conformation-specific UV-IR double resonance spectra are presented for n-alkylbenzenes. With the aid of a local mode Hamiltonian that includes the effects of stretch-bend Fermi coupling, the spectra of ethyl, n-propyl, and n-butylbenzene are assigned to individual conformers. These molecules allow for further development of the work on a first principles method for calculating alkyl stretch spectra. Due to the consistency of the anharmonic couplings from conformer to conformer, construction of the model Hamiltonian for a given conformer only requires a harmonic frequency calculation at the conformer's minimum geometry as an input. The model Hamiltonian can be parameterized with either density functional theory or MP2 electronic structure calculations. The relative strengths and weaknesses of these methods are evaluated, including their predictions of the relative energetics of the conformers. Finally, the IR spectra for conformers that have the alkyl chain bend back and interact with the π cloud of the benzene ring are modeled.

Cosmological flux noise and measured noise power spectra in SQUIDs

PubMed Central

Beck, Christian

2016-01-01

The understanding of the origin of 1/f magnetic flux noise commonly observed in superconducting devices such as SQUIDs and qubits is still a major unsolved puzzle. Here we discuss the possibility that a significant part of the observed low-frequency flux noise measured in these devices is ultimately seeded by cosmological fluctuations. We consider a theory where a primordial flux noise field left over in unchanged form from an early inflationary or quantum gravity epoch of the universe intrinsically influences the phase difference in SQUIDs and qubits. The perturbation seeds generated by this field can explain in a quantitatively correct way the form and amplitude of measured low-frequency flux noise spectra in SQUID devices if one takes as a source of fluctuations the primordial power spectrum of curvature fluctuations as measured by the Planck collaboration. Our theoretical predictions are in excellent agreement with recent low-frequency flux noise measurements of various experimental groups. Magnetic flux noise, so far mainly considered as a nuisance for electronic devices, may thus contain valuable information about fluctuation spectra in the very early universe. PMID:27320418

Cosmological flux noise and measured noise power spectra in SQUIDs.

PubMed

Beck, Christian

2016-06-20

The understanding of the origin of 1/f magnetic flux noise commonly observed in superconducting devices such as SQUIDs and qubits is still a major unsolved puzzle. Here we discuss the possibility that a significant part of the observed low-frequency flux noise measured in these devices is ultimately seeded by cosmological fluctuations. We consider a theory where a primordial flux noise field left over in unchanged form from an early inflationary or quantum gravity epoch of the universe intrinsically influences the phase difference in SQUIDs and qubits. The perturbation seeds generated by this field can explain in a quantitatively correct way the form and amplitude of measured low-frequency flux noise spectra in SQUID devices if one takes as a source of fluctuations the primordial power spectrum of curvature fluctuations as measured by the Planck collaboration. Our theoretical predictions are in excellent agreement with recent low-frequency flux noise measurements of various experimental groups. Magnetic flux noise, so far mainly considered as a nuisance for electronic devices, may thus contain valuable information about fluctuation spectra in the very early universe.

Capturing molecular multimode relaxation processes in excitable gases based on decomposition of acoustic relaxation spectra

NASA Astrophysics Data System (ADS)

Zhu, Ming; Liu, Tingting; Wang, Shu; Zhang, Kesheng

2017-08-01

Existing two-frequency reconstructive methods can only capture primary (single) molecular relaxation processes in excitable gases. In this paper, we present a reconstructive method based on the novel decomposition of frequency-dependent acoustic relaxation spectra to capture the entire molecular multimode relaxation process. This decomposition of acoustic relaxation spectra is developed from the frequency-dependent effective specific heat, indicating that a multi-relaxation process is the sum of the interior single-relaxation processes. Based on this decomposition, we can reconstruct the entire multi-relaxation process by capturing the relaxation times and relaxation strengths of N interior single-relaxation processes, using the measurements of acoustic absorption and sound speed at 2N frequencies. Experimental data for the gas mixtures CO2-N2 and CO2-O2 validate our decomposition and reconstruction approach.

1/f2 Characteristics and Isotropy in the Fourier Power Spectra of Visual Art, Cartoons, Comics, Mangas, and Different Categories of Photographs

PubMed Central

Koch, Michael; Denzler, Joachim; Redies, Christoph

2010-01-01

Art images and natural scenes have in common that their radially averaged (1D) Fourier spectral power falls according to a power-law with increasing spatial frequency (1/f2 characteristics), which implies that the power spectra have scale-invariant properties. In the present study, we show that other categories of man-made images, cartoons and graphic novels (comics and mangas), have similar properties. Further on, we extend our investigations to 2D power spectra. In order to determine whether the Fourier power spectra of man-made images differed from those of other categories of images (photographs of natural scenes, objects, faces and plants and scientific illustrations), we analyzed their 2D power spectra by principal component analysis. Results indicated that the first fifteen principal components allowed a partial separation of the different image categories. The differences between the image categories were studied in more detail by analyzing whether the mean power and the slope of the power gradients from low to high spatial frequencies varied across orientations in the power spectra. Mean power was generally higher in cardinal orientations both in real-world photographs and artworks, with no systematic difference between the two types of images. However, the slope of the power gradients showed a lower degree of mean variability across spectral orientations (i.e., more isotropy) in art images, cartoons and graphic novels than in photographs of comparable subject matters. Taken together, these results indicate that art images, cartoons and graphic novels possess relatively uniform 1/f2 characteristics across all orientations. In conclusion, the man-made stimuli studied, which were presumably produced to evoke pleasant and/or enjoyable visual perception in human observers, form a subset of all images and share statistical properties in their Fourier power spectra. Whether these properties are necessary or sufficient to induce aesthetic perception remains to be

1/f 2 Characteristics and isotropy in the fourier power spectra of visual art, cartoons, comics, mangas, and different categories of photographs.

PubMed

Koch, Michael; Denzler, Joachim; Redies, Christoph

2010-08-19

Art images and natural scenes have in common that their radially averaged (1D) Fourier spectral power falls according to a power-law with increasing spatial frequency (1/f(2) characteristics), which implies that the power spectra have scale-invariant properties. In the present study, we show that other categories of man-made images, cartoons and graphic novels (comics and mangas), have similar properties. Further on, we extend our investigations to 2D power spectra. In order to determine whether the Fourier power spectra of man-made images differed from those of other categories of images (photographs of natural scenes, objects, faces and plants and scientific illustrations), we analyzed their 2D power spectra by principal component analysis. Results indicated that the first fifteen principal components allowed a partial separation of the different image categories. The differences between the image categories were studied in more detail by analyzing whether the mean power and the slope of the power gradients from low to high spatial frequencies varied across orientations in the power spectra. Mean power was generally higher in cardinal orientations both in real-world photographs and artworks, with no systematic difference between the two types of images. However, the slope of the power gradients showed a lower degree of mean variability across spectral orientations (i.e., more isotropy) in art images, cartoons and graphic novels than in photographs of comparable subject matters. Taken together, these results indicate that art images, cartoons and graphic novels possess relatively uniform 1/f(2) characteristics across all orientations. In conclusion, the man-made stimuli studied, which were presumably produced to evoke pleasant and/or enjoyable visual perception in human observers, form a subset of all images and share statistical properties in their Fourier power spectra. Whether these properties are necessary or sufficient to induce aesthetic perception remains

Changes in Alpha Frequency and Power of the Electroencephalogram during Volatile-Based General Anesthesia.

PubMed

Hight, Darren; Voss, Logan J; Garcia, Paul S; Sleigh, Jamie

2017-01-01

Oscillations in the electroencephalogram (EEG) at the alpha frequency (8-12 Hz) are thought to be ubiquitous during surgical anesthesia, but the details of how this oscillation responds to ongoing changes in volatile anesthetic concentration have not been well characterized. It is not known how often alpha oscillations are absent in the clinical context, how sensitively alpha frequency and power respond to changes in anesthetic concentration, and what effect increased age has on alpha frequency. Bipolar EEG was recorded frontally from 305 patients undergoing surgery with sevoflurane or desflurane providing general anesthesia. A new method of detecting the presence of alpha oscillations based on the stability of the rate of change of the peak frequency in the alpha range was developed. Linear concentration-response curves were fitted to assess the sensitivity of alpha power and frequency measures to changing levels of anesthesia. Alpha oscillations were seen to be inexplicably absent in around 4% of patients. Maximal alpha power increased with increasing volatile anesthetic concentrations in half of the patients, and decreased in the remaining patients. Alpha frequency decreased with increasing anesthetic concentrations in near to 90% of patients. Increasing age was associated with decreased sensitivity to volatile anesthesia concentrations, and with decreased alpha frequency, which sometimes transitioned into the theta range (5-7 Hz). While peak alpha frequency shows a consistent slowing to increasing volatile concentrations, the peak power of the oscillation does not, suggesting that frequency might be more informative of depth of anesthesia than traditional power based measures during volatile-based anesthesia. The alpha oscillation becomes slower with increasing age, even when the decreased anesthetic needs of older patients were taken into account.

Frequency-domain nonlinear regression algorithm for spectral analysis of broadband SFG spectroscopy.

PubMed

He, Yuhan; Wang, Ying; Wang, Jingjing; Guo, Wei; Wang, Zhaohui

2016-03-01

The resonant spectral bands of the broadband sum frequency generation (BB-SFG) spectra are often distorted by the nonresonant portion and the lineshapes of the laser pulses. Frequency domain nonlinear regression (FDNLR) algorithm was proposed to retrieve the first-order polarization induced by the infrared pulse and to improve the analysis of SFG spectra through simultaneous fitting of a series of time-resolved BB-SFG spectra. The principle of FDNLR was presented, and the validity and reliability were tested by the analysis of the virtual and measured SFG spectra. The relative phase, dephasing time, and lineshapes of the resonant vibrational SFG bands can be retrieved without any preset assumptions about the SFG bands and the incident laser pulses.

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

NASA Astrophysics Data System (ADS)

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.

Pulsar gamma-rays: Spectra luminosities and efficiencies

NASA Technical Reports Server (NTRS)

Harding, A. K.

1980-01-01

The general characteristics of pulsar gamma ray spectra are presented for a model where the gamma rays are produced by curvature radiation from energetic particles above the polar cap and attenuated by pair production. The shape of the spectrum is found to depend on pulsar period, magnetic field strength, and primary particle energy. By a comparison of numerically calculated spectra with the observed spectra of the Crab and Vela pulsars, it is determined that primary particles must be accelerated to energies of about 3 x 10 to the 7th power mc sq. A genaral formula for pulsar gamma ray luminosity is determined and is found to depend on period and field strength.

Frequency spectrum of tantalum at temperatures of 293-2300 K

NASA Astrophysics Data System (ADS)

Semenov, V. A.; Kozlov, Zh. A.; Krachun, L.; Mateescu, G.; Morozov, V. M.; Oprea, A. I.; Oprea, K.; Puchkov, A. V.

2010-05-01

The temperature dependence of the frequency spectrum of tantalum in the temperature range from room temperature to 2300 K has been studied for the first time using inelastic slow-neutron scattering. The inelastic slow-neutron scattering spectra have been measured at different temperatures on a DIN-2PI time-of-flight spectrometer installed at the IBR-2 nuclear reactor (Joint Institute for Nuclear Research, Dubna, Russia) with the use of a TS3000K high-temperature thermostat. From the measured spectra, the frequency spectra of the tantalum crystal lattice have been determined at temperatures of 293, 1584, and 2300 K by the iteration method. As the temperature increases, the frequency spectrum, on the whole, is softened and the specific features manifested themselves at room temperature are smoothed. The variations observed have been explained by the increase in the role of the effects of vibration anharmonism at high temperatures.

Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers

NASA Astrophysics Data System (ADS)

Wu, Wenpeng; Cao, Zexing; Zhao, Yi

2012-03-01

The vibrationally resolved spectral method and quantum chemical calculations are employed to reveal the structural and spectral properties of Coumarin 343 (C343), an ideal candidate for organic dye photosensitizers, in vacuum and solution. The results manifest that the ground-state energies are dominantly determined by different placements of hydrogen atom in carboxylic group of C343 conformations. Compared to those in vacuum, the electronic absorption spectra in methanol solvent show a hyperchromic property together with the redshift and blueshift for the neutral C343 isomers and their deprotonated anions, respectively. From the absorption, emission, and resonance Raman spectra, it is found that the maximal absorption and emission come from low-frequency modes whereas the high-frequency modes have high Raman activities. The detailed spectra are further analyzed for the identification of the conformers and understanding the potential charge transfer mechanism in their photovoltaic applications.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides

NASA Astrophysics Data System (ADS)

Suganya, Krishnasamy; Kabilan, Senthamaraikannan

2004-04-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed.

Quantitative analysis of dinuclear manganese(II) EPR spectra

NASA Astrophysics Data System (ADS)

Golombek, Adina P.; Hendrich, Michael P.

2003-11-01

A quantitative method for the analysis of EPR spectra from dinuclear Mn(II) complexes is presented. The complex [(Me 3TACN) 2Mn(II) 2(μ-OAc) 3]BPh 4 ( 1) (Me 3TACN= N, N', N''-trimethyl-1,4,7-triazacyclononane; OAc=acetate 1-; BPh 4=tetraphenylborate 1-) was studied with EPR spectroscopy at X- and Q-band frequencies, for both perpendicular and parallel polarizations of the microwave field, and with variable temperature (2-50 K). Complex 1 is an antiferromagnetically coupled dimer which shows signals from all excited spin manifolds, S=1 to 5. The spectra were simulated with diagonalization of the full spin Hamiltonian which includes the Zeeman and zero-field splittings of the individual manganese sites within the dimer, the exchange and dipolar coupling between the two manganese sites of the dimer, and the nuclear hyperfine coupling for each manganese ion. All possible transitions for all spin manifolds were simulated, with the intensities determined from the calculated probability of each transition. In addition, the non-uniform broadening of all resonances was quantitatively predicted using a lineshape model based on D- and r-strain. As the temperature is increased from 2 K, an 11-line hyperfine pattern characteristic of dinuclear Mn(II) is first observed from the S=3 manifold. D- and r-strain are the dominate broadening effects that determine where the hyperfine pattern will be resolved. A single unique parameter set was found to simulate all spectra arising for all temperatures, microwave frequencies, and microwave modes. The simulations are quantitative, allowing for the first time the determination of species concentrations directly from EPR spectra. Thus, this work describes the first method for the quantitative characterization of EPR spectra of dinuclear manganese centers in model complexes and proteins. The exchange coupling parameter J for complex 1 was determined ( J=-1.5±0.3 cm-1; H ex=-2J S1· S2) and found to be in agreement with a previous

Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.

PubMed

Danecek, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bour, Petr

2007-06-14

The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800 cm(-1)) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third

Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions

NASA Astrophysics Data System (ADS)

Daněček, Petr; Kapitán, Josef; Baumruk, Vladimír; Bednárová, Lucie; Kopecký, Vladimír; Bouř, Petr

2007-06-01

The difference spectroscopy of the Raman optical activity (ROA) provides extended information about molecular structure. However, interpretation of the spectra is based on complex and often inaccurate simulations. Previously, the authors attempted to make the calculations more robust by including the solvent and exploring the role of molecular flexibility for alanine and proline zwitterions. In the current study, they analyze the IR, Raman, and ROA spectra of these molecules with the emphasis on the force field modeling. Vibrational harmonic frequencies obtained with 25 ab initio methods are compared to experimental band positions. The role of anharmonic terms in the potential and intensity tensors is also systematically explored using the vibrational self-consistent field, vibrational configuration interaction (VCI), and degeneracy-corrected perturbation calculations. The harmonic approach appeared satisfactory for most of the lower-wavelength (200-1800cm-1) vibrations. Modern generalized gradient approximation and hybrid density functionals, such as the common B3LYP method, provided a very good statistical agreement with the experiment. Although the inclusion of the anharmonic corrections still did not lead to complete agreement between the simulations and the experiment, occasional enhancements were achieved across the entire region of wave numbers. Not only the transitional frequencies of the C-H stretching modes were significantly improved but also Raman and ROA spectral profiles including N-H and C-H lower-frequency bending modes were more realistic after application of the VCI correction. A limited Boltzmann averaging for the lowest-frequency modes that could not be included directly in the anharmonic calculus provided a realistic inhomogeneous band broadening. The anharmonic parts of the intensity tensors (second dipole and polarizability derivatives) were found less important for the entire spectral profiles than the force field anharmonicities (third and

Frequency standards based on ultracold atoms in tests of general relativity, navigation and gravimetry

NASA Astrophysics Data System (ADS)

Khabarova, K. Yu.; Kudeyarov, K. S.; Kolachevsky, N. N.

2017-06-01

Research and development in the field of optical clocks based on ultracold atoms and ions have enabled the relative uncertainty in frequency to be reduced down to a few parts in 1018. The use of novel, precise frequency comparison methods opens up new possibilities for basic research (sensitive tests of general relativity, a search for a drift of fundamental constants and a search for ‘dark matter’) as well as for state-of-the-art navigation and gravimetry. We discuss the key methods that are used in creating precision clocks (including transportable clocks) based on ultracold atoms and ions and the feasibility of using them in resolving current relativistic gravimetry issues.

Q estimation of seismic data using the generalized S-transform

NASA Astrophysics Data System (ADS)

Hao, Yaju; Wen, Xiaotao; Zhang, Bo; He, Zhenhua; Zhang, Rui; Zhang, Jinming

2016-12-01

Quality factor, Q, is a parameter that characterizes the energy dissipation during seismic wave propagation. The reservoir pore is one of the main factors that affect the value of Q. Especially, when pore space is filled with oil or gas, the rock usually exhibits a relative low Q value. Such a low Q value has been used as a direct hydrocarbon indicator by many researchers. The conventional Q estimation method based on spectral ratio suffers from the problem of waveform tuning; hence, many researchers have introduced time-frequency analysis techniques to tackle this problem. Unfortunately, the window functions adopted in time-frequency analysis algorithms such as continuous wavelet transform (CWT) and S-transform (ST) contaminate the amplitude spectra because the seismic signal is multiplied by the window functions during time-frequency decomposition. The basic assumption of the spectral ratio method is that there is a linear relationship between natural logarithmic spectral ratio and frequency. However, this assumption does not hold if we take the influence of window functions into consideration. In this paper, we first employ a recently developed two-parameter generalized S-transform (GST) to obtain the time-frequency spectra of seismic traces. We then deduce the non-linear relationship between natural logarithmic spectral ratio and frequency. Finally, we obtain a linear relationship between natural logarithmic spectral ratio and a newly defined parameter γ by ignoring the negligible second order term. The gradient of this linear relationship is 1/Q. Here, the parameter γ is a function of frequency and source wavelet. Numerical examples for VSP and post-stack reflection data confirm that our algorithm is capable of yielding accurate results. The Q-value results estimated from field data acquired in western China show reasonable comparison with oil-producing well location.

Frequency domain measurement systems

NASA Technical Reports Server (NTRS)

Eischer, M. C.

1978-01-01

Stable frequency sources and signal processing blocks were characterized by their noise spectra, both discrete and random, in the frequency domain. Conventional measures are outlined, and systems for performing the measurements are described. Broad coverage of system configurations which were found useful is given. Their functioning and areas of application are discussed briefly. Particular attention is given to some of the potential error sources in the measurement procedures, system configurations, double-balanced-mixer-phase-detectors, and application of measuring instruments.

High Frequency Tail Characteristics in the Coastal Waters off Gopalpur, Northwest Bay of Bengal: A Nearshore Modelling Study

NASA Astrophysics Data System (ADS)

Umesh, P. A.; Bhaskaran, Prasad K.; Sandhya, K. G.; Nair, T. M. Balakrishnan

2017-12-01

Over the years, continued uncertainty amid - 4 and - 5 frequency exponent representation observed in the slope of the high-frequency tail of a wind-wave frequency spectrum is a major concern. To comprehend the nature of the high-frequency tail an effort has been made to assess the slope of the high-frequency tail with measured data recorded for 3 years off Gopalpur. The study demonstrates that the high-frequency slope of the spectra varied seasonally in the range of n = - 2.13 to - 3.48. The swell and wind sea parameters calculated by separation frequency method, shows that 64.6% of waves were dominant by swell and the rest 34.9% by sea annually. Single, double and multi-peaked spectra occur 12.23, 71.80 and 15.37% annually. To simulate wave spectra, the nested WAM-SWAN model is forced with ERA-Interim winds and 1D wave spectra comparisons, when performed, proved to be encouraging. From the comparisons of measured and theoretical spectra it is concluded that JONSWAP model could not describe the high-frequency tail of measured spectrum, as indicated by the very high Scatter Index ranging from 0.24 to 1.44. Whether there exists a correct slope for the high-frequency tail is still a question. Moreover, the philosophy of a unique slope at any coastal location remains uncertain for the wave modelling community.

Routes to spatiotemporal chaos in Kerr optical frequency combs.

PubMed

Coillet, Aurélien; Chembo, Yanne K

2014-03-01

We investigate the various routes to spatiotemporal chaos in Kerr optical frequency combs, obtained through pumping an ultra-high Q-factor whispering-gallery mode resonator with a continuous-wave laser. The Lugiato-Lefever model is used to build bifurcation diagrams with regards to the parameters that are externally controllable, namely, the frequency and the power of the pumping laser. We show that the spatiotemporal chaos emerging from Turing patterns and solitons display distinctive dynamical features. Experimental spectra of chaotic Kerr combs are also presented for both cases, in excellent agreement with theoretical spectra.

Lightning electromagnetic radiation field spectra in the interval from 0. 2 to 20 MHz

DOE Office of Scientific and Technical Information (OSTI.GOV)

Willett, J.C.; Bailey, J.C.; Leteinturier, C.

1990-11-20

Average energy spectral densities are presented for the fast transitions in most of the components that produce large radiation field impulses from cloud-to-ground lightning; first and subsequent return strokes; stepped, dart-stepped, and 'chaotic' leaders; and 'characteristic' cloud pulses. A disagreement in the previous literature about the spectral energy radiated by return strokes at high frequencies is noted and explained. The authors show that the spectral amplitudes are not seriously distorted by propagation over less than 35 km of seawater, although as much as 45 km of such propagation does appear to produce significant attenuation above about 10 MHz. First andmore » subsequent return strokes produce identical spectra between 0.2 and 20 MHz. The spectra of stepped and dart-stepped leader steps are nearly identical and are very similar to that of characteristic pulses. The spectra of leader steps also match return stroke spectra above 2-3 MHz after the former are increased by about 7 dB. The shapes of individual spectra do not depend on their amplitude, so the shapes of the average spectra are probably not distorted by the trigger thresholds used in the data acquisition. Return strokes are the strongest sources of radiation from cloud-to-ground lightning in the 0.2- to 20-MHz frequency range, although certain intracloud processes are stronger radiators above 8 MHz.« less

Fine structure of the low-frequency spectra of heart rate and blood pressure.

PubMed

Kuusela, Tom A; Kaila, Timo J; Kähönen, Mika

2003-10-13

The aim of this study was to explore the principal frequency components of the heart rate and blood pressure variability in the low frequency (LF) and very low frequency (VLF) band. The spectral composition of the R-R interval (RRI) and systolic arterial blood pressure (SAP) in the frequency range below 0.15 Hz were carefully analyzed using three different spectral methods: Fast Fourier transform (FFT), Wigner-Ville distribution (WVD), and autoregression (AR). All spectral methods were used to create time-frequency plots to uncover the principal spectral components that are least dependent on time. The accurate frequencies of these components were calculated from the pole decomposition of the AR spectral density after determining the optimal model order--the most crucial factor when using this method--with the help of FFT and WVD methods. Spectral analysis of the RRI and SAP of 12 healthy subjects revealed that there are always at least three spectral components below 0.15 Hz. The three principal frequency components are 0.026 +/- 0.003 (mean +/- SD) Hz, 0.076 +/- 0.012 Hz, and 0.117 +/- 0.016 Hz. These principal components vary only slightly over time. FFT-based coherence and phase-function analysis suggests that the second and third components are related to the baroreflex control of blood pressure, since the phase difference between SAP and RRI was negative and almost constant, whereas the origin of the first component is different since no clear SAP-RRI phase relationship was found. The above data indicate that spontaneous fluctuations in heart rate and blood pressure within the standard low-frequency range of 0.04-0.15 Hz typically occur at two frequency components rather than only at one as widely believed, and these components are not harmonically related. This new observation in humans can help explain divergent results in the literature concerning spontaneous low-frequency oscillations. It also raises methodological and computational questions regarding

High-frequency predictions for number counts and spectral properties of extragalactic radio sources. New evidence of a break at mm wavelengths in spectra of bright blazar sources

NASA Astrophysics Data System (ADS)

Tucci, M.; Toffolatti, L.; de Zotti, G.; Martínez-González, E.

2011-09-01

We present models to predict high-frequency counts of extragalactic radio sources using physically grounded recipes to describe the complex spectral behaviour of blazars that dominate the mm-wave counts at bright flux densities. We show that simple power-law spectra are ruled out by high-frequency (ν ≥ 100 GHz) data. These data also strongly constrain models featuring the spectral breaks predicted by classical physical models for the synchrotron emission produced in jets of blazars. A model dealing with blazars as a single population is, at best, only marginally consistent with data coming from current surveys at high radio frequencies. Our most successful model assumes different distributions of break frequencies, νM, for BL Lacs and flat-spectrum radio quasars (FSRQs). The former objects have substantially higher values of νM, implying that the synchrotron emission comes from more compact regions; therefore, a substantial increase of the BL Lac fraction at high radio frequencies and at bright flux densities is predicted. Remarkably, our best model is able to give a very good fit to all the observed data on number counts and on distributions of spectral indices of extragalactic radio sources at frequencies above 5 and up to 220 GHz. Predictions for the forthcoming sub-mm blazar counts from Planck, at the highest HFI frequencies, and from Herschel surveys are also presented. Appendices are available in electronic form at http://www.aanda.org

Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

NASA Astrophysics Data System (ADS)

Çırak, Çağrı; Demir, Selçuk; Ucun, Fatih; Çubuk, Osman

2011-08-01

Experimental and theoretical vibrational spectra of β-2-aminopyridinium dihydrogenphosphate (β-2APDP) have been investigated. The FT-IR spectrum of β-2APDP was recorded in the region 4000-400 cm -1. The optimized molecular structure and theoretical vibrational frequencies of β-2APDP have been investigated using ab initio Hartree-Fock (HF) and density functional B3LYP method with 6-311++G(d,p) basis set. The optimized geometric parameters (bond lengths and bond angles) and theoretical frequencies have been compared with the corresponding experimental data and it is found that they agree well with each other. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Furthermore, the used scale factors were obtained from the ratio of the frequency values of the strongest peaks in the experimental and theoretical IR spectra. From the results it was concluded that the B3LYP method is superior to the HF method for the vibrational frequencies.

Underdetermined blind separation of three-way fluorescence spectra of PAHs in water

NASA Astrophysics Data System (ADS)

Yang, Ruifang; Zhao, Nanjing; Xiao, Xue; Zhu, Wei; Chen, Yunan; Yin, Gaofang; Liu, Jianguo; Liu, Wenqing

2018-06-01

In this work, underdetermined blind decomposition method is developed to recognize individual components from the three-way fluorescent spectra of their mixtures by using sparse component analysis (SCA). The mixing matrix is estimated from the mixtures using fuzzy data clustering algorithm together with the scatters corresponding to local energy maximum value in the time-frequency domain, and the spectra of object components are recovered by pseudo inverse technique. As an example, using this method three and four pure components spectra can be blindly extracted from two samples of their mixture, with similarities between resolved and reference spectra all above 0.80. This work opens a new and effective path to realize monitoring PAHs in water by three-way fluorescence spectroscopy technique.

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

PubMed

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

2004-09-08

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. Copyright 2004 American Institute of Physics

Adding a dimension to the infrared spectra of interfaces using heterodyne detected 2D sum-frequency generation (HD 2D SFG) spectroscopy.

PubMed

Xiong, Wei; Laaser, Jennifer E; Mehlenbacher, Randy D; Zanni, Martin T

2011-12-27

In the last ten years, two-dimensional infrared spectroscopy has become an important technique for studying molecular structures and dynamics. We report the implementation of heterodyne detected two-dimensional sum-frequency generation (HD 2D SFG) spectroscopy, which is the analog of 2D infrared (2D IR) spectroscopy, but is selective to noncentrosymmetric systems such as interfaces. We implement the technique using mid-IR pulse shaping, which enables rapid scanning, phase cycling, and automatic phasing. Absorptive spectra are obtained, that have the highest frequency resolution possible, from which we extract the rephasing and nonrephasing signals that are sometimes preferred. Using this technique, we measure the vibrational mode of CO adsorbed on a polycrystalline Pt surface. The 2D spectrum reveals a significant inhomogenous contribution to the spectral line shape, which is quantified by simulations. This observation indicates that the surface conformation and environment of CO molecules is more complicated than the simple "atop" configuration assumed in previous work. Our method can be straightforwardly incorporated into many existing SFG spectrometers. The technique enables one to quantify inhomogeneity, vibrational couplings, spectral diffusion, chemical exchange, and many other properties analogous to 2D IR spectroscopy, but specifically for interfaces.

Theoretical and experimental studies of the structure and vibrational spectra of NTO

NASA Astrophysics Data System (ADS)

Sorescu, Dan C.; Sutton, Teressa R. L.; Thompson, Donald L.; Beardall, David; Wight, Charles A.

1996-10-01

The structure and vibrational spectra of the high explosive 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) have been determined by ab initio molecular orbital calculations at the Hartree-Fock and second-order Møller-Plesset levels and by density functional theory (B3LYP). Experimental frequencies for the molecule have been determined from infrared spectra of pure NTO films and NTO molecules isolated in an argon matrix at 21 K. A force field for gas phase NTO has been obtained based on calculated results at the MP2/6-311G∗∗ level. In addition, a force field for solid state NTO has been constructed using the experimental vibrational frequencies for NTO films and scaled ab initio vibrational frequencies. Differences between the solid state and gas phase results indicate that the environment and preparation procedure exert a marked influence on the spectral characteristics of the NTO molecule.

Theory of Parabolic Arcs in Interstellar Scintillation Spectra

NASA Astrophysics Data System (ADS)

Cordes, James M.; Rickett, Barney J.; Stinebring, Daniel R.; Coles, William A.

2006-01-01

Interstellar scintillation (ISS), observed as time variation in the intensity of a compact radio source, is caused by small-scale structure in the electron density of the interstellar plasma. Dynamic spectra of ISS show modulation in radio frequency and time. Here we relate the (two-dimensional) power spectrum of the dynamic spectrum-the secondary spectrum-to the scattered image of the source. Recent work has identified remarkable parabolic arcs in secondary spectra. Each point in a secondary spectrum corresponds to interference between points in the scattered image with a certain Doppler shift and a certain delay. The parabolic arc corresponds to the quadratic relation between differential Doppler shift and delay through their common dependence on scattering angle. We show that arcs will occur in all media that scatter significant power at angles larger than the rms angle. Thus, effects such as source diameter, steep spectra, and dissipation scales, which truncate high angle scattering, also truncate arcs. Arcs are equally visible in simulations of nondispersive scattering. They are enhanced by anisotropic scattering when the spatial structure is elongated perpendicular to the velocity. In weak scattering the secondary spectrum is directly mapped from the scattered image, and this mapping can be inverted. We discuss additional observed phenomena including multiple arcs and reverse arclets oriented oppositely to the main arc. These phenomena persist for many refractive scattering times, suggesting that they are due to large-scale density structures, rather than low-frequency components of Kolmogorov turbulence.

Computer simulation of backscattering spectra from paint

NASA Astrophysics Data System (ADS)

Mayer, M.; Silva, T. F.

2017-09-01

To study the role of lateral non-homogeneity on backscattering analysis of paintings, a simplified model of paint consisting of randomly distributed spherical pigment particles embedded in oil/binder has been developed. Backscattering spectra for lead white pigment particles in linseed oil have been calculated for 3 MeV H+ at a scattering angle of 165° for pigment volume concentrations ranging from 30 vol.% to 70 vol.% using the program STRUCTNRA. For identical pigment volume concentrations the heights and shapes of the backscattering spectra depend on the diameter of the pigment particles: This is a structural ambiguity for identical mean atomic concentrations but different lateral arrangement of materials. Only for very small pigment particles the resulting spectra are close to spectra calculated supposing atomic mixing and assuming identical concentrations of all elements. Generally, a good fit can be achieved when evaluating spectra from structured materials assuming atomic mixing of all elements and laterally homogeneous depth distributions. However, the derived depth profiles are inaccurate by a factor of up to 3. The depth range affected by this structural ambiguity ranges from the surface to a depth of roughly 0.5-1 pigment particle diameters. Accurate quantitative evaluation of backscattering spectra from paintings therefore requires taking the correct microstructure of the paint layer into account.

Fine structure of the low-frequency spectra of heart rate and blood pressure

PubMed Central

Kuusela, Tom A; Kaila, Timo J; Kähönen, Mika

2003-01-01

Background The aim of this study was to explore the principal frequency components of the heart rate and blood pressure variability in the low frequency (LF) and very low frequency (VLF) band. The spectral composition of the R–R interval (RRI) and systolic arterial blood pressure (SAP) in the frequency range below 0.15 Hz were carefully analyzed using three different spectral methods: Fast Fourier transform (FFT), Wigner-Ville distribution (WVD), and autoregression (AR). All spectral methods were used to create time–frequency plots to uncover the principal spectral components that are least dependent on time. The accurate frequencies of these components were calculated from the pole decomposition of the AR spectral density after determining the optimal model order – the most crucial factor when using this method – with the help of FFT and WVD methods. Results Spectral analysis of the RRI and SAP of 12 healthy subjects revealed that there are always at least three spectral components below 0.15 Hz. The three principal frequency components are 0.026 ± 0.003 (mean ± SD) Hz, 0.076 ± 0.012 Hz, and 0.117 ± 0.016 Hz. These principal components vary only slightly over time. FFT-based coherence and phase-function analysis suggests that the second and third components are related to the baroreflex control of blood pressure, since the phase difference between SAP and RRI was negative and almost constant, whereas the origin of the first component is different since no clear SAP–RRI phase relationship was found. Conclusion The above data indicate that spontaneous fluctuations in heart rate and blood pressure within the standard low-frequency range of 0.04–0.15 Hz typically occur at two frequency components rather than only at one as widely believed, and these components are not harmonically related. This new observation in humans can help explain divergent results in the literature concerning spontaneous low-frequency oscillations. It also raises methodological

Capturing inhomogeneous broadening of the -CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS)

NASA Astrophysics Data System (ADS)

Velarde, Luis; Wang, Hong-fei

2013-08-01

While in principle the frequency-domain and time-domain spectroscopic measurements should generate identical information for a given molecular system, the inhomogeneous character of surface vibrations in sum-frequency generation vibrational spectroscopy (SFG-VS) studies has only been studied with time-domain SFG-VS by mapping the decay of the vibrational polarization using ultrafast lasers, this due to the lack of SFG vibrational spectra with high enough spectral resolution and accurate enough lineshape. Here, with the recently developed high-resolution broadband SFG-VS (HR-BB-SFG-VS) technique, we show that the inhomogeneous lineshape can be obtained in the frequency-domain for the anchoring CN stretch of the 4-n-octyl-4'-cyanobiphenyl (8CB) Langmuir monolayer at the air-water interface, and that an excellent agreement with the time-domain SFG free-induction-decay can be established. We found that the 8CB CN stretch spectrum consists of a single peak centered at 2234.00 ± 0.01 cm-1 with a total linewidth of 10.9 ± 0.3 cm-1 at half maximum. The Lorentzian contribution accounts only for 4.7 ± 0.4 cm-1 to this width and the Gaussian (inhomogeneous) broadening for as much as 8.1 ± 0.2 cm-1. Polarization analysis of the -CN spectra showed that the -CN group is tilted 57° ± 2° from the surface normal. The large heterogeneity in the -CN spectrum is tentatively attributed to the -CN group interactions with the interfacial water molecules penetrated/accommodated into the 8CB monolayer, a unique phenomenon for the nCB Langmuir monolayers reported previously.

Capturing inhomogeneous broadening of the -CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS).

PubMed

Velarde, Luis; Wang, Hong-fei

2013-08-28

While in principle the frequency-domain and time-domain spectroscopic measurements should generate identical information for a given molecular system, the inhomogeneous character of surface vibrations in sum-frequency generation vibrational spectroscopy (SFG-VS) studies has only been studied with time-domain SFG-VS by mapping the decay of the vibrational polarization using ultrafast lasers, this due to the lack of SFG vibrational spectra with high enough spectral resolution and accurate enough lineshape. Here, with the recently developed high-resolution broadband SFG-VS (HR-BB-SFG-VS) technique, we show that the inhomogeneous lineshape can be obtained in the frequency-domain for the anchoring CN stretch of the 4-n-octyl-4'-cyanobiphenyl (8CB) Langmuir monolayer at the air-water interface, and that an excellent agreement with the time-domain SFG free-induction-decay can be established. We found that the 8CB CN stretch spectrum consists of a single peak centered at 2234.00 ± 0.01 cm(-1) with a total linewidth of 10.9 ± 0.3 cm(-1) at half maximum. The Lorentzian contribution accounts only for 4.7 ± 0.4 cm(-1) to this width and the Gaussian (inhomogeneous) broadening for as much as 8.1 ± 0.2 cm(-1). Polarization analysis of the -CN spectra showed that the -CN group is tilted 57° ± 2° from the surface normal. The large heterogeneity in the -CN spectrum is tentatively attributed to the -CN group interactions with the interfacial water molecules penetrated/accommodated into the 8CB monolayer, a unique phenomenon for the nCB Langmuir monolayers reported previously.

Capturing inhomogeneous broadening of the -CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velarde Ruiz Esparza, Luis A.; Wang, Hongfei

2013-08-28

Even though in principle the frequency-domain and time-domain spectroscopic measurement should generate identical information for a given molecular system, inhomogeneous character of surface vibrations in the sum-frequency generation vibrational spectroscopy (SFG-VS) studies has only been studied with the time-domain SFGVS by mapping the decay of the vibrational polarization using ultrafast lasers, due to the lack of SFG vibrational spectra with high enough spectral resolution and accurate enough line shape. Here with recently developed high-resolution broadband SFG-VS (HR-BB-SFG-VS) we show that the inhomogeneous line shape can be obtained in the frequency-domain, for the anchoring CN stretch of the 4-n-octyl-4'-cyanobiphenyl (8CB) Langmuirmore » monolayer at the air-water interface, and that an excellent agreement with the time-domain SFG free-induction-decay (FID) results can be established. We found that the 8CB CN stretch spectrum consists of a single peak centered at 2234.00 + * 0.01 cm-1 with a total line width of 10.9 + - 0.3 cm-1 at half maximum. The Lorentzian contribution accounts only for 4:7 + -0:4 cm-1 to this width and the Gaussian (inhomogeneous) broadening for as much as 8:1+*0:2 cm-1. Polarization analysis of the -CN spectra showed that the -CN group is tilted 57 + - 2 degrees from the surface normal. The large heterogeneity in the -CN spectrum is tentatively attributed to the -CN group interactions with the interfacial water molecules penetrated/accomodated into the 8CB monolayer, a unique phenomenon for the nCB Langmuir monolayers reported previously.« less

A phase and frequency alignment protocol for 1H MRSI data of the prostate.

PubMed

Wright, Alan J; Buydens, Lutgarde M C; Heerschap, Arend

2012-05-01

(1)H MRSI of the prostate reveals relative metabolite levels that vary according to the presence or absence of tumour, providing a sensitive method for the identification of patients with cancer. Current interpretations of prostate data rely on quantification algorithms that fit model metabolite resonances to individual voxel spectra and calculate relative levels of metabolites, such as choline, creatine, citrate and polyamines. Statistical pattern recognition techniques can potentially improve the detection of prostate cancer, but these analyses are hampered by artefacts and sources of noise in the data, such as variations in phase and frequency of resonances. Phase and frequency variations may arise as a result of spatial field gradients or local physiological conditions affecting the frequency of resonances, in particular those of citrate. Thus, there are unique challenges in developing a peak alignment algorithm for these data. We have developed a frequency and phase correction algorithm for automatic alignment of the resonances in prostate MRSI spectra. We demonstrate, with a simulated dataset, that alignment can be achieved to a phase standard deviation of 0.095  rad and a frequency standard deviation of 0.68  Hz for the citrate resonances. Three parameters were used to assess the improvement in peak alignment in the MRSI data of five patients: the percentage of variance in all MRSI spectra explained by their first principal component; the signal-to-noise ratio of a spectrum formed by taking the median value of the entire set at each spectral point; and the mean cross-correlation between all pairs of spectra. These parameters showed a greater similarity between spectra in all five datasets and the simulated data, demonstrating improved alignment for phase and frequency in these spectra. This peak alignment program is expected to improve pattern recognition significantly, enabling accurate detection and localisation of prostate cancer with MRSI. Copyright

Wind Speed Dependence of Acoustic Ambient Vertical Directional Spectra at High Frequency

DTIC Science & Technology

1989-05-26

the measurements, which is 8 to 32 kHz, is sufficiently high that the propagation is adequately modeled using the Eikonal equation approximation. 4 TD...level spectra were calculated from the resulting time series. Spectral levels at 8, 16, and 32 kHz were recorded in a database along with the wind...indications of biological or industrial contaminations were removed. The resulting database seen here contained 215 samples. 10 * TD 8565 0z 00 a.I. cn

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

DOE PAGES

Burris, Paul C.; Laage, Damien; Thompson, Ward H.

2016-05-20

Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D 2O is considered. An empirical mapping approach ismore » used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores.

PubMed

Burris, Paul C; Laage, Damien; Thompson, Ward H

2016-05-21

Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.

Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burris, Paul C.; Thompson, Ward H., E-mail: wthompson@ku.edu; Laage, Damien, E-mail: damien.laage@ens.fr

2016-05-21

Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D{sub 2}O is considered. An empirical mapping approach ismore » used to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. The simulated spectra indicates that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

Substituent and solvent effects on electronic absorption spectra of some N-(substitutedphenyl)benzene sulphonamides.

PubMed

Suganya, Krishnasamy; Kabilan, Senthamaraikannan

2004-04-01

The effects of substituents and solvents have been studied through the absorption spectra of nearly 23 ortho- and para-N-(substitutedphenyl)benzene sulphonamides in the range of 200-400 nm. The effects of substituents on the absorption spectra of compounds under present investigation are interpreted by correlation of absorption frequencies with simple and extended Hammett equations. Effect of solvent polarity and hydrogen bonding on the absorption spectra are interpreted by means of Kamlet equation and the results are discussed. Copyright 2003 Elsevier B.V.

Investigation of the Mössbauer Spectrum Quality as a Dependence on the Frequency of the Velocity Signal

NASA Astrophysics Data System (ADS)

Pechousek, J.; Prochazka, R.; Cuda, J.; Frydrych, J.; Jancik, D.

2010-07-01

This paper is focused on a quality characterizing the Mössbauer spectra measured for various frequencies of the velocity signal. Standard electromechanical double-loudspeaker drive and digital PID velocity controller were used for calibration spectra measurement in the frequency interval from 4 up to 100 Hz. Several parameters were evaluated for recommendation of the suitable velocity signal frequency.

Action spectra for photosynthetic inhibition

NASA Technical Reports Server (NTRS)

Caldwell, M. M.; Flint, S.; Camp, L. B.

1981-01-01

The ultraviolet action spectrum for photosynthesis inhibition was determined to fall between that of the general DNA action spectrum and the generalized plant action spectrum. The characteristics of this action spectrum suggest that a combination of pronounced increase in effectiveness with decreasing wavelength, substantial specificity for the UV-B waveband, and very diminished response in the UV-A waveband result in large radiation amplification factors when the action spectra are used as weighting functions. Attempted determination of dose/response relationships for leaf disc inhibition provided inconclusive data from which to deconvolute an action spectrum.

Influence of molecular electronic properties on the IR spectra of dimeric hydrogen bond systems: polarized spectra of 2-hydroxybenzothiazole and 2-mercaptobenzothiazole crystals

NASA Astrophysics Data System (ADS)

Flakus, Henryk T.; Miros, Artur; Jones, Peter G.

2002-01-01

We have studied the polarized IR spectra of the hydrogen-bonded molecular crystals of 2-hydroxybenzothiazole (HBT) and 2-mercaptobenzothiazole (MBT). The crystal structure of 2-hydroxybenzothiazole was determined by X-ray diffraction. The polarized spectra of the crystals were measured, in the frequency ranges of the νN-H and νN-D bands, at room temperature, and at 77 K. In both systems an extremely strong H/D isotopic effect in the spectra was observed, involving reduction of the well-developed νN-H band fine structure to a single prominent νN-D line only. The two νN-H bands were also shown to exhibit almost identical properties, band shapes, temperature and dichroic properties included. The spectra were quantitatively reconstituted, along with the strong isotopic effect, when calculated using the 'strong-coupling' theory, assuming the centrosymmetric dimers of HBT or MBT to be the structural units responsible for the crystalline spectral properties. The similarity of the spectra of the two crystalline systems was considered to be a result of longer-distance couplings between the proton vibrations in the dimers, via the aromatic ring electrons. When investigating the 'residual' νN-H band shapes for crystals isotopically diluted by deuterium, we observed some 'self-organization' effects in the spectra, indicating the energetically favored presence of two identical hydrogen isotopes in each hydrogen bond dimer.

Underdetermined blind separation of three-way fluorescence spectra of PAHs in water.

PubMed

Yang, Ruifang; Zhao, Nanjing; Xiao, Xue; Zhu, Wei; Chen, Yunan; Yin, Gaofang; Liu, Jianguo; Liu, Wenqing

2018-06-15

In this work, underdetermined blind decomposition method is developed to recognize individual components from the three-way fluorescent spectra of their mixtures by using sparse component analysis (SCA). The mixing matrix is estimated from the mixtures using fuzzy data clustering algorithm together with the scatters corresponding to local energy maximum value in the time-frequency domain, and the spectra of object components are recovered by pseudo inverse technique. As an example, using this method three and four pure components spectra can be blindly extracted from two samples of their mixture, with similarities between resolved and reference spectra all above 0.80. This work opens a new and effective path to realize monitoring PAHs in water by three-way fluorescence spectroscopy technique. Copyright © 2018 Elsevier B.V. All rights reserved.

Spectral manipulation and complementary spectra with birefringence polarization control

NASA Astrophysics Data System (ADS)

Ding, Pan-Feng; Han, Pin

2017-03-01

A polarization control method using crystal birefringence is suggested to manipulate polychromatic light. This scheme can be used with narrower bandwidth to produce various spectral effects, such as a notch filter, a flat top, and triangle-type, nipple-type, and central-frequency-dominant distributions. A modulated spectrum with greater bandwidth can be used as an optical frequency ruler, and phenomena called complementary spectra are also proposed, where the two spectral distributions, produced by rotating the polarizer, complement each other in the sense that the peaks and valleys in one spectrum are the reverse in the other. These results benefit the controlling of the spectral shape and the measurement of an unknown optical frequency.

Quantitative Interpretation of Polarization SFG Vibrational Spectra of Air/Methanol Interface

NASA Astrophysics Data System (ADS)

Wu, Hui; Zhang, Wen-kai; Gan, Wei; Cui, Zhi-feng; Wang, Hong-fei

2006-06-01

Even though in IR and Raman spectra of liquid methanol there is always an apparent feature for the asymmetric stretching mode of the CH3 group around 2970 cm-1, this feature has not been observed in the Sum Frequency Generation Vibrational Spectroscopy (SFG-VS) in any polarizations from the air/methanol interface. Here we present a treatment based on a corrected bond additivity model to quantitatively interpret the SFG-VS of the air/methanol interface from the IR and Raman spectra of liquid methanol.

Doppler spectra of airborne ultrasound forward scattered by the rough surface of open channel turbulent water flows.

PubMed

Dolcetti, Giulio; Krynkin, Anton

2017-11-01

Experimental data are presented on the Doppler spectra of airborne ultrasound forward scattered by the rough dynamic surface of an open channel turbulent flow. The data are numerically interpreted based on a Kirchhoff approximation for a stationary random water surface roughness. The results show a clear link between the Doppler spectra and the characteristic spatial and temporal scales of the water surface. The decay of the Doppler spectra is proportional to the velocity of the flow near the surface. At higher Doppler frequencies the measurements show a less steep decrease of the Doppler spectra with the frequency compared to the numerical simulations. A semi-empirical equation for the spectrum of the surface elevation in open channel turbulent flows over a rough bed is provided. The results of this study suggest that the dynamic surface of open channel turbulent flows can be characterized remotely based on the Doppler spectra of forward scattered airborne ultrasound. The method does not require any equipment to be submerged in the flow and works remotely with a very high signal to noise ratio.

Four years of meteor spectra patrol

NASA Technical Reports Server (NTRS)

Harvey, G. A.

1974-01-01

The development of the NASA-Langley Research Center meteor spectra patrol is described in general terms. The recording of very faint meteors was made possible by three great strides in optical and photographic technology in the 1960's: (1) the availability of optical-grade fused silica at modest cost, (2) the development of large transmission gratings with high blaze efficiency, and (3) the development of a method for avoiding plate fogging due to background skylight, which consisted of using a photoelectric meteor detector which actuates the spectrograph shutter when a meteor occurs in the field. The classification scheme for meteor spectra developed by Peter M. Millman is described.

Directional spectra of ocean waves from microwave backscatter: A physical optics solution with application to the short-pulse and two-frequency measurement techniques

NASA Technical Reports Server (NTRS)

Jackson, F. C.

1979-01-01

Two simple microwave radar techniques that are potentially capable of providing routine satellite measurements of the directional spectrum of ocean waves were developed. One technique, the short pulse technique, makes use of very short pulses to resolve ocean surface wave contrast features in the range direction; the other technique, the two frequency correlation technique makes use of coherency in the transmitted waveform to detect the large ocean wave contrast modulation as a beat or mixing frequency in the power backscattered at two closely separated microwave frequencies. A frequency domain analysis of the short pulse and two frequency systems shows that the two measurement systems are essentially duals; they each operate on the generalized (three frequency) fourth-order statistical moment of the surface transfer function in different, but symmetrical ways, and they both measure the same directional contrast modulation spectrum. A three dimensional physical optics solution for the fourth-order moment was obtained for backscatter in the near vertical, specular regime, assuming Gaussian surface statistics.

Grading of cervical intraepithelial neoplasia using spatial frequency for optical histology

NASA Astrophysics Data System (ADS)

Pu, Yang; Jagtap, Jaidip; Pradhan, Asima; Alfano, Robert R.

2014-03-01

It is important to detect cervical dysplasia, Cervical Intraepithelial Neoplasia (CIN). CIN is the potentially premalignant and abnormal squamous cells on surface of cervix. In this study, the spatial frequency spectra of pre-cancer cervical tissues are used to detect differences among different grades of human cervical tissues. Seven sets of thick tissue sections of human cervix of normal, CIN 1, CIN 2, and CIN 3 tissues are studied. The confocal microscope images of the stromal region of normal and CIN human tissues were analyzed using Fast Fourier Transform (FFT) to generate the spatial spectra. It is observed that higher frequency components exist in CIN tissues than those in normal tissue, as well as those in higher grade CIN tissue than those in lower grade CIN tissue. The width of the spatial frequency of different types of tissues is used to create a criterion for CIN grading by training a support vector machine (SVM) classifier. The results show that the randomness of tissue structures from normal to different stages of precancer in cervical tissue can be recognized by fingerprints of the spatial frequency. The efficacy of spatial frequency analysis for CIN grading is evaluated as excellent since high AUC (area under the ROC curve), sensitivity and specificity are obtained by the statistics study. This works lays the foundation of using spatial frequency spectra for a histology evaluation.

Study of transmittance and reflectance spectra of the cornea and the sclera in the THz frequency range

NASA Astrophysics Data System (ADS)

Iomdina, Elena N.; Goltsman, Gregory N.; Seliverstov, Sergey V.; Sianosyan, Alisa A.; Teplyakova, Kseniya O.; Rusova, Anastasia A.

2016-09-01

An adequate water balance (hydration extent) is one of the basic factors of normal eye function, including its external shells: the cornea and the sclera. Adequate control of corneal and scleral hydration is very important for early diagnosis of a variety of eye diseases, stating indications for and contraindications against keratorefractive surgeries and the choice of contact lens correction solutions. THz systems of creating images in reflected beams are likely to become ideal instruments of noninvasive control of corneal and scleral hydration degrees. This paper reports on the results of a study involving transmittance and reflectance spectra for the cornea and the sclera of rabbit and human eyes, as well as those of the rabbit eye, in the frequency range of 0.13 to 0.32 THz. The dependence of the reflectance coefficient of these tissues on water mass percentage content was determined. The experiments were performed on three corneas, three rabbit scleras, two rabbit eyes, and three human scleras. The preliminary results demonstrate that the proposed technique, based on the use of a continuous THz radiation, may be utilized to create a device for noninvasive control of corneal and scleral hydration, which has clear potential of broad practical application.

Broadband turbulent spectra in gamma-ray burst light curves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Putten, Maurice H. P. M.; Guidorzi, Cristiano; Frontera, Filippo, E-mail: mvp@sejong.ac.kr

2014-05-10

Broadband power density spectra offer a window to understanding turbulent behavior in the emission mechanism and, at the highest frequencies, in the putative inner engines powering long gamma-ray bursts (GRBs). We describe a chirp search method alongside Fourier analysis for signal detection in the Poisson noise-dominated, 2 kHz sampled, BeppoSAX light curves. An efficient numerical implementation is described in O(Nnlog n) operations, where N is the number of chirp templates and n is the length of the light-curve time series, suited for embarrassingly parallel processing. For the detection of individual chirps over a 1 s duration, the method is onemore » order of magnitude more sensitive in signal-to-noise ratio than Fourier analysis. The Fourier-chirp spectra of GRB 010408 and GRB 970816 show a continuation of the spectral slope with up to 1 kHz of turbulence identified in low-frequency Fourier analysis. The same continuation is observed in an average spectrum of 42 bright, long GRBs. An outlook on a similar analysis of upcoming gravitational wave data is included.« less

Separation of overlapping vibrational peaks in terahertz spectra using two-dimensional correlation spectroscopy

NASA Astrophysics Data System (ADS)

Hoshina, Hiromichi; Ishii, Shinya; Otani, Chiko

2014-07-01

In this study, the terahertz (THz) absorption spectra of poly(3-hydroxybutyrate) (PHB) were measured during isothermal crystallization at 90-120 °C. The temporal changes in the absorption spectra were analyzed using two-dimensional correlation spectroscopy (2DCOS). In the asynchronous plot, cross peaks were observed around 2.4 THz, suggesting that two vibrational modes overlap in the raw spectrum. By comparing this to the peak at 2.9 THz corresponding to the stretching mode of the helical structure of PHB and the assignment obtained using polarization spectroscopy, we concluded that the high-frequency band could be attributed to the vibration of the helical structure and the low-frequency band to the vibration between the helical structures. The exact frequencies of the overlapping vibrational bands and their assignments provide a new means to inspect the thermal behavior of the intermolecular vibrational modes. The large red-shift of the interhelix vibrational mode suggests a large anharmonicity in the vibrational potential.

The Spitzer Atlas of Stellar Spectra (SASS)

NASA Astrophysics Data System (ADS)

Ardila, David R.; Van Dyk, Schuyler D.; Makowiecki, Wojciech; Stauffer, John; Song, Inseok; Rho, Jeonghee; Fajardo-Acosta, Sergio; Hoard, D. W.; Wachter, Stefanie

2010-12-01

We present the Spitzer Atlas of Stellar Spectra, which includes 159 stellar spectra (5-32 μm R ~ 100) taken with the Infrared Spectrograph on the Spitzer Space Telescope. This Atlas gathers representative spectra of a broad section of the Hertzsprung-Russell diagram, intended to serve as a general stellar spectral reference in the mid-infrared. It includes stars from all luminosity classes, as well as Wolf-Rayet (WR) objects. Furthermore, it includes some objects of intrinsic interest, such as blue stragglers and certain pulsating variables. All of the spectra have been uniformly reduced, and all are available online. For dwarfs and giants, the spectra of early-type objects are relatively featureless, characterized by the presence of hydrogen lines in A spectral types. Besides these, the most noticeable photospheric features correspond to water vapor and silicon monoxide in late-type objects and methane and ammonia features at the latest spectral types. Most supergiant spectra in the Atlas present evidence of circumstellar gas and/or dust. The sample includes five M supergiant spectra, which show strong dust excesses and in some cases polycyclic aromatic hydrocarbon features. Sequences of WR stars present the well-known pattern of lines of He I and He II, as well as forbidden lines of ionized metals. The characteristic flat-top shape of the [Ne III] line is evident even at these low spectral resolutions. Several Luminous Blue Variables and other transition stars are present in the Atlas and show very diverse spectra, dominated by circumstellar gas and dust features. We show that the [8]-[24] Spitzer colors (IRAC and MIPS) are poor predictors of spectral type for most luminosity classes.

The Spitzer Atlas of Stellar Spectra (SASS)

NASA Astrophysics Data System (ADS)

Ardila, D. R.; van Dyk, S. D., Makowiecki, W.; Stauffer, J.; Song, I.; Ro, J.; Fajardo-Acosta, S.; Hoard, D. W.; Wachter, S.

2011-11-01

We present the Spitzer Atlas of Stellar Spectra (SASS), which includes 159 stellar spectra (5 to 32 micron; R about 100) taken with the Infrared Spectrograph on the Spitzer Space Telescope. This Atlas gathers representative spectra of a broad section of the Hertzsprung-Russell diagram, intended to serve as a general stellar spectral reference in the mid-infrared. It includes stars from all luminosity classes, as well as Wolf-Rayet (WR) objects. Furthermore, it includes some objects of intrinsic interest, like blue stragglers and certain pulsating variables. All the spectra have been uniformly reduced, and all are available online. For dwarfs and giants, the spectra of early-type objects are relatively featureless, dominated by Hydrogen lines around A spectral types. Besides these, the most noticeable photospheric features correspond to water vapor and silicon monoxide in late-type objects and methane and ammonia features at the latest spectral types. Most supergiant spectra in the Atlas present evidence of circumstellar gas. The sample includes five M supergiant spectra, which show strong dust excesses and in some cases PAH features. Sequences of WR stars present the well-known pattern of lines of He I and He II, as well as forbidden lines of ionized metals. The characteristic flat-top shape of the [Ne III] line is evident even at these low spectral resolutions. Several Luminous Blue Variables and other transition stars are present in the Atlas and show very diverse spectra, dominated by circumstellar gas and dust features. We show that the [8]-[24] Spitzer colors (IRAC and MIPS) are poor predictors of spectral type for most luminosity classes.

Gigahertz-peaked spectra pulsars in Pulsar Wind Nebulae

NASA Astrophysics Data System (ADS)

Basu, R.; RoŻko, K.; Kijak, J.; Lewandowski, W.

2018-04-01

We have carried out a detailed study of the spectral nature of six pulsars surrounded by pulsar wind nebulae (PWNe). The pulsar flux density was estimated using the interferometric imaging technique of the Giant Metrewave Radio Telescope at three frequencies 325, 610, and 1280 MHz. The spectra showed a turnover around gigahertz frequency in four out of six pulsars. It has been suggested that the gigahertz-peaked spectrum (GPS) in pulsars arises due to thermal absorption of the pulsar emission in surrounding medium like PWNe, H II regions, supernova remnants, etc. The relatively high incidence of GPS behaviour in pulsars surrounded by PWNe imparts further credence to this view. The pulsar J1747-2958 associated with the well-known Mouse nebula was also observed in our sample and exhibited GPS behaviour. The pulsar was detected as a point source in the high-resolution images. However, the pulsed emission was not seen in the phased-array mode. It is possible that the pulsed emission was affected by extreme scattering causing considerable smearing of the emission at low radio frequencies. The GPS spectra were modelled using the thermal free-free absorption and the estimated absorber properties were largely consistent with PWNe. The spatial resolution of the images made it unlikely that the point source associated with J1747-2958 was the compact head of the PWNe, but the synchrotron self-absorption seen in such sources was a better fit to the estimated spectral shape.

Analysis of Earthquake Source Spectra in Salton Trough

NASA Astrophysics Data System (ADS)

Chen, X.; Shearer, P. M.

2009-12-01

Previous studies of the source spectra of small earthquakes in southern California show that average Brune-type stress drops vary among different regions, with particularly low stress drops observed in the Salton Trough (Shearer et al., 2006). The Salton Trough marks the southern end of the San Andreas Fault and is prone to earthquake swarms, some of which are driven by aseismic creep events (Lohman and McGuire, 2007). In order to learn the stress state and understand the physical mechanisms of swarms and slow slip events, we analyze the source spectra of earthquakes in this region. We obtain Southern California Seismic Network (SCSN) waveforms for earthquakes from 1977 to 2009 archived at the Southern California Earthquake Center (SCEC) data center, which includes over 17,000 events. After resampling the data to a uniform 100 Hz sample rate, we compute spectra for both signal and noise windows for each seismogram, and select traces with a P-wave signal-to-noise ratio greater than 5 between 5 Hz and 15 Hz. Using selected displacement spectra, we isolate the source spectra from station terms and path effects using an empirical Green’s function approach. From the corrected source spectra, we compute corner frequencies and estimate moments and stress drops. Finally we analyze spatial and temporal variations in stress drop in the Salton Trough and compare them with studies of swarms and creep events to assess the evolution of faulting and stress in the region. References: Lohman, R. B., and J. J. McGuire (2007), Earthquake swarms driven by aseismic creep in the Salton Trough, California, J. Geophys. Res., 112, B04405, doi:10.1029/2006JB004596 Shearer, P. M., G. A. Prieto, and E. Hauksson (2006), Comprehensive analysis of earthquake source spectra in southern California, J. Geophys. Res., 111, B06303, doi:10.1029/2005JB003979.

An improved peak frequency shift method for Q estimation based on generalized seismic wavelet function

NASA Astrophysics Data System (ADS)

Wang, Qian; Gao, Jinghuai

2018-02-01

As a powerful tool for hydrocarbon detection and reservoir characterization, the quality factor, Q, provides useful information in seismic data processing and interpretation. In this paper, we propose a novel method for Q estimation. The generalized seismic wavelet (GSW) function was introduced to fit the amplitude spectrum of seismic waveforms with two parameters: fractional value and reference frequency. Then we derive an analytical relation between the GSW function and the Q factor of the medium. When a seismic wave propagates through a viscoelastic medium, the GSW function can be employed to fit the amplitude spectrum of the source and attenuated wavelets, then the fractional values and reference frequencies can be evaluated numerically from the discrete Fourier spectrum. After calculating the peak frequency based on the obtained fractional value and reference frequency, the relationship between the GSW function and the Q factor can be built by the conventional peak frequency shift method. Synthetic tests indicate that our method can achieve higher accuracy and be more robust to random noise compared with existing methods. Furthermore, the proposed method is applicable to different types of source wavelet. Field data application also demonstrates the effectiveness of our method in seismic attenuation and the potential in the reservoir characteristic.

Infrared spectra of molecules and materials of astrophysical interest

NASA Technical Reports Server (NTRS)

Durig, J. R.

1972-01-01

Vibrational spectra were studied from 400 to 33/cm for molecules which may be present in the atmosphere of Jovian planets. The microwave spectrum of cis glyoxal was studied. Sources of color variation in the Jovian atmosphere were analyzed in relation to molecular crystals. The low frequency modes of acetaldehyde and acetaldehyde-d sub 4 are discussed.

Measurement of CIB power spectra with CAM-SPEC from Planck HFI maps

NASA Astrophysics Data System (ADS)

Mak, Suet Ying; Challinor, Anthony; Efstathiou, George; Lagache, Guilaine

2015-08-01

We present new measurements of the cosmic infrared background (CIB) anisotropies and its first likelihood using Planck HFI data at 353, 545, and 857 GHz. The measurements are based on cross-frequency power spectra and likelihood analysis using the CAM-SPEC package, rather than map based template removal of foregrounds as done in previous Planck CIB analysis. We construct the likelihood of the CIB temperature fluctuations, an extension of CAM-SPEC likelihood as used in CMB analysis to higher frequency, and use it to drive the best estimate of the CIB power spectrum over three decades in multiple moment, l, covering 50 ≤ l ≤ 2500. We adopt parametric models of the CIB and foreground contaminants (Galactic cirrus, infrared point sources, and cosmic microwave background anisotropies), and calibrate the dataset uniformly across frequencies with known Planck beam and noise properties in the likelihood construction. We validate our likelihood through simulations and extensive suite of consistency tests, and assess the impact of instrumental and data selection effects on the final CIB power spectrum constraints. Two approaches are developed for interpreting the CIB power spectrum. The first approach is based on simple parametric model which model the cross frequency power using amplitudes, correlation coefficients, and known multipole dependence. The second approach is based on the physical models for galaxy clustering and the evolution of infrared emission of galaxies. The new approaches fit all auto- and cross- power spectra very well, with the best fit of χ2ν = 1.04 (parametric model). Using the best foreground solution, we find that the cleaned CIB power spectra are in good agreement with previous Planck and Herschel measurements.

Resonant Raman spectra of diindenoperylene thin films

NASA Astrophysics Data System (ADS)

Scholz, R.; Gisslén, L.; Schuster, B.-E.; Casu, M. B.; Chassé, T.; Heinemeyer, U.; Schreiber, F.

2011-01-01

Resonant and preresonant Raman spectra obtained on diindenoperylene (DIP) thin films are interpreted with calculations of the deformation of a relaxed excited molecule with density functional theory (DFT). The comparison of excited state geometries based on time-dependent DFT or on a constrained DFT scheme with observed absorption spectra of dissolved DIP reveals that the deformation pattern deduced from constrained DFT is more reliable. Most observed Raman peaks can be assigned to calculated A_g-symmetric breathing modes of DIP or their combinations. As the position of one of the laser lines used falls into a highly structured absorption band, we have carefully analyzed the Raman excitation profile arising from the frequency dependence of the dielectric tensor. This procedure gives Raman cross sections in good agreement with the observed relative intensities, both in the fully resonant and in the preresonant case.

Resonant Raman spectra of diindenoperylene thin films.

PubMed

Scholz, R; Gisslén, L; Schuster, B-E; Casu, M B; Chassé, T; Heinemeyer, U; Schreiber, F

2011-01-07

Resonant and preresonant Raman spectra obtained on diindenoperylene (DIP) thin films are interpreted with calculations of the deformation of a relaxed excited molecule with density functional theory (DFT). The comparison of excited state geometries based on time-dependent DFT or on a constrained DFT scheme with observed absorption spectra of dissolved DIP reveals that the deformation pattern deduced from constrained DFT is more reliable. Most observed Raman peaks can be assigned to calculated A(g)-symmetric breathing modes of DIP or their combinations. As the position of one of the laser lines used falls into a highly structured absorption band, we have carefully analyzed the Raman excitation profile arising from the frequency dependence of the dielectric tensor. This procedure gives Raman cross sections in good agreement with the observed relative intensities, both in the fully resonant and in the preresonant case.

Adding a dimension to the infrared spectra of interfaces using heterodyne detected 2D sum-frequency generation (HD 2D SFG) spectroscopy

PubMed Central

Xiong, Wei; Laaser, Jennifer E.; Mehlenbacher, Randy D.; Zanni, Martin T.

2011-01-01

In the last ten years, two-dimensional infrared spectroscopy has become an important technique for studying molecular structures and dynamics. We report the implementation of heterodyne detected two-dimensional sum-frequency generation (HD 2D SFG) spectroscopy, which is the analog of 2D infrared (2D IR) spectroscopy, but is selective to noncentrosymmetric systems such as interfaces. We implement the technique using mid-IR pulse shaping, which enables rapid scanning, phase cycling, and automatic phasing. Absorptive spectra are obtained, that have the highest frequency resolution possible, from which we extract the rephasing and nonrephasing signals that are sometimes preferred. Using this technique, we measure the vibrational mode of CO adsorbed on a polycrystalline Pt surface. The 2D spectrum reveals a significant inhomogenous contribution to the spectral line shape, which is quantified by simulations. This observation indicates that the surface conformation and environment of CO molecules is more complicated than the simple “atop” configuration assumed in previous work. Our method can be straightforwardly incorporated into many existing SFG spectrometers. The technique enables one to quantify inhomogeneity, vibrational couplings, spectral diffusion, chemical exchange, and many other properties analogous to 2D IR spectroscopy, but specifically for interfaces. PMID:22143772

Improved real-time dynamics from imaginary frequency lattice simulations

NASA Astrophysics Data System (ADS)

Pawlowski, Jan M.; Rothkopf, Alexander

2018-03-01

The computation of real-time properties, such as transport coefficients or bound state spectra of strongly interacting quantum fields in thermal equilibrium is a pressing matter. Since the sign problem prevents a direct evaluation of these quantities, lattice data needs to be analytically continued from the Euclidean domain of the simulation to Minkowski time, in general an ill-posed inverse problem. Here we report on a novel approach to improve the determination of real-time information in the form of spectral functions by setting up a simulation prescription in imaginary frequencies. By carefully distinguishing between initial conditions and quantum dynamics one obtains access to correlation functions also outside the conventional Matsubara frequencies. In particular the range between ω0 and ω1 = 2πT, which is most relevant for the inverse problem may be more highly resolved. In combination with the fact that in imaginary frequencies the kernel of the inverse problem is not an exponential but only a rational function we observe significant improvements in the reconstruction of spectral functions, demonstrated in a simple 0+1 dimensional scalar field theory toy model.

Theoretical Models of Low-Resolution Microwave Rotational Spectra of Ethane- and Propanethiol

NASA Astrophysics Data System (ADS)

Kadjar, Ch. O.; Kazimova, S. B.; Hasanova, A. S.; Ismailzadeh, G. I.; Menzeleyev, M. R.

2018-05-01

Additive modeling of low-resolution microwave spectra of heteroisomeric substituted hydrocarbons produced theoretical spectra of ethanethiol and propanethiol in the range 0-2 THz with maxima at 465 ± 20 and 240 ± 20 GHz. More precise calculations in a narrow frequency band of these ranges used spectral line half-widths of 1.5, 0.8, and 0.5 MHz that modeled conditions in different layers of Earth's troposphere. The strongest extrema of the low-resolution spectra of the studied molecules were found at 486 ± 5, 446 ± 5, and 436 ± 5 (ethanethiol) and at 257 ± 5, 239 ± 5, and 234 ± 5 GHz (propanethiol). Various aspects of the application of the results were discussed.

Numerical investigation of frequency spectrum in the Hasegawa-Wakatani model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Juhyung; Terry, P. W.

2013-10-15

The wavenumber-frequency spectrum of the two-dimensional Hasegawa-Wakatani model is investigated in the hydrodynamic, intermediate, and adiabatic regimes. A nonlinear frequency and a line width related to energy transfer properties provide a measure of the average frequency and spectral broadening, respectively. In the adiabatic regime, narrow spectra, typical of wave turbulence, are observed with a nonlinear frequency shift in the electron drift direction. In the hydrodynamic regime, broad spectra with almost zero nonlinear frequencies are observed. Nonlinear frequency shifts are shown to be related to nonlinear energy transfer by vorticity advection through the high frequency region of the spectrum. In themore » intermediate regime, the nonlinear frequency shift for density fluctuations is observed to be weaker than that of electrostatic potential fluctuations. The weaker frequency shift of the density fluctuations is due to nonlinear density advection, which favors energy transfer in the low frequency range. Both the nonlinear frequency and the spectral width increase with poloidal wavenumber k{sub y}. In addition, in the adiabatic regime where the nonlinear interactions manifest themselves in the nonlinear frequency shift, the cross-phase between the density and potential fluctuations is observed to match a linear relation, but only if the linear response of the linearly stable eigenmode branch is included. Implications of these numerical observations are discussed.« less

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

PubMed

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.

Study of solar wind spectra by nonlinear waves interaction

NASA Astrophysics Data System (ADS)

Dwivedi, Navin; Sharma, Rampal; Narita, Yasuhito

2014-05-01

The nature of small-scale turbulent fluctuations in the solar wind (SW) turbulence is a topic that is being investigated extensively nowadays, both theoretically and observationally. Although recent observations predict the evidence of the dominance of kinetic Alfvén waves (KAW) at sub-ion scales with frequency below than ion cyclotron frequency, while other studies suggest that the KAW mode cannot carry the turbulence cascade down to electron scales and that the whistler mode is more relevant. In the present work, nonlinear interaction of kinetic Alfvén wave with whistler wave is considered as one of the possible cause responsible for the solar wind turbulence. A set of coupled dimensionless equations are derived for the intermediate beta plasmas and the nonlinear interaction between these two wave modes has been studied. As a consequence of ponderomotive nonlinearity, the pump KAW becomes filamented when its power exceeds the threshold for the filamentation instability. Whistler is considered to be weak and thus doesn't have enough intensity to initiate its own localization. It gets localized while propagating through the density channel created by KAW localization. In addition, spectral scales of power spectra of KAW and whistler are also calculated. The steeper spectra are found with scaling greater than -5/3. This type of nonlinear interaction between different wave modes and steeper spectra is one of the reasons for the solar wind turbulence and particles acceleration. This work is partially supported by DST (India) and FP7/STORM (313038)

Galactic cosmic ray abundances and spectra behind defined shielding.

PubMed

Heinrich, W; Benton, E V; Wiegel, B; Zens, R; Rusch, G

1994-10-01

LET spectra have been measured for lunar missions and for several near Earth orbits ranging from 28 degrees to 83 degrees inclination. In some of the experiments the flux of GCR was determined separately from contributions caused by interactions in the detector material. Results of these experiments are compared to model calculations. The general agreement justifies the use of the model to calculate GCR fluxes. The magnitude of variations caused by solar modulation, geomagnetic shielding, and shielding by matter determined from calculated LET spectra is generally in agreement with experimental data. However, more detailed investigations show that there are some weak points in modeling solar modulation and shielding by material. These points are discussed in more detail.

Inference of relativistic electron spectra from measurements of inverse Compton radiation

NASA Astrophysics Data System (ADS)

Craig, I. J. D.; Brown, J. C.

1980-07-01

The inference of relativistic electron spectra from spectral measurement of inverse Compton radiation is discussed for the case where the background photon spectrum is a Planck function. The problem is formulated in terms of an integral transform that relates the measured spectrum to the unknown electron distribution. A general inversion formula is used to provide a quantitative assessment of the information content of the spectral data. It is shown that the observations must generally be augmented by additional information if anything other than a rudimentary two or three parameter model of the source function is to be derived. It is also pointed out that since a similar equation governs the continuum spectra emitted by a distribution of black-body radiators, the analysis is relevant to the problem of stellar population synthesis from galactic spectra.

X-ray Spectra and Pulse Frequency Changes in SAX J2103.5+4545

NASA Technical Reports Server (NTRS)

Baykal, A.; Stark, M. J.; Swank, J. H.; White, Nicholas E. (Technical Monitor)

2002-01-01

The November 1999 outburst of the transient pulsar SAX J2103.5+4545 was monitored with the large area detectors of the Rossi X-Ray Timing Explorer until the pulsar faded after a year. The 358 s pulsar was spun up for 150 days, at which point the flux dropped quickly by a factor of approximately 7, the frequency saturated and, as the flux continued to decline, a weak spin-down began. The pulses remained strong during the decay and the spin-up/flux correlation can be fit to the Ghosh and Lamb derivations for the spin-up caused by accretion from a thin, pressure-dominated disk, for a distance approximately 3.2 kpc and a surface magnetic field approximately 1.2 x 10(exp 13) Gauss. During the bright spin-up part of the outburst, the flux was subject to strong orbital modulation, peaking approximately 3 days after periastron of the eccentric 12.68 day orbit, while during the faint part, there was little orbital modulation. The X-ray spectra were typical of accreting pulsars, describable by a cut-off power-law, with an emission line near the 6.4 keV of Kappa(sub alpha) fluorescence from cool iron. The equivalent width of this emission did not share the orbital modulation, but nearly doubled during the faint phase, despite little change in the column density. The outburst could have been caused by an episode of increased wind from a Be star, such that a small accretion disk is formed during each periastron passage. A change in the wind and disk structure apparently occurred after 5 months such that the accretion rate was no longer modulated or the diffusion time was longer. The distance estimate implies the X-ray luminosity observed was between 1 X 10(exp 36) ergs s(exp -1) and 6 x 10(exp 34) ergs s(exp -1), with a small but definite correlation of the intrinsic power-law spectral index.

Complex permeability and permittivity spectra of percolated Fe50Co50/Cu granular composites

NASA Astrophysics Data System (ADS)

Massango, Herieta; Tsutaoka, Takanori; Kasagi, Teruhiro; Yamamoto, Shinichiro; Hatakeyama, Kenichi

2017-11-01

Complex permeability and permittivity spectra of Fe50Co50/Cu hybrid granular composite materials have been studied in the RF to microwave frequency range. At low Cu particle content, the Fe50Co50/Cu hybrid sample shows a metallic percolative property with the electrical conductivity value about 0.1 S/cm. However, the low frequency plasmonic (LFP) state with negative permittivity (ENG) spectrum was not observed. An abrupt increase of electrical conductivity takes place at 14 to 16 vol% Cu content where the conductivity becomes above 1.0 S/cm; the Fe50Co50/Cu composite possesses the LFP state with negative permittivity spectrum below a characteristic frequency. The complex permittivity spectra in the LFP state can be described by the Drude model. Magnetic permeability spectrum in the LFP state showed a broad frequency dispersion above 10 MHz; a small negative permeability (MNG) dispersion was observed from 2 to 10 GHz. Consequently, the double negative (DNG) electromagnetic property with MNG and ENG was realized in the microwave range for the Cu content of 26 and 30 vol%.

On the spectra of Pisot-cyclotomic numbers

NASA Astrophysics Data System (ADS)

Hare, Kevin G.; Masáková, Zuzana; Vávra, Tomáš

2018-07-01

We investigate the complex spectra X^A(β )= \\sum _{j=0}^na_jβ ^j : n\\in N, a_j\\in A where β is a quadratic or cubic Pisot-cyclotomic number and the alphabet A is given by 0 along with a finite collection of roots of unity. Such spectra are discrete aperiodic structures with crystallographically forbidden symmetries. We discuss in general terms under which conditions they possess the Delone property required for point sets modeling quasicrystals. We study the corresponding Voronoi tilings and we relate these structures to quasilattices arising from the cut-and-project method.

Raman spectra of amino acids and their aqueous solutions

NASA Astrophysics Data System (ADS)

Zhu, Guangyong; Zhu, Xian; Fan, Qi; Wan, Xueliang

2011-03-01

Amino acids are the basic "building blocks" that combine to form proteins and play an important physiological role in all life-forms. Amino acids can be used as models for the examination of the importance of intermolecular bonding in life processes. Raman spectra serve to obtain information regarding molecular conformation, giving valuable insights into the topology of more complex molecules (peptides and proteins). In this paper, amino acids and their aqueous solution have been studied by Raman spectroscopy. Comparisons of certain values for these frequencies in amino acids and their aqueous solutions are given. Spectra of solids when compared to those of the solute in solution are invariably much more complex and almost always sharper. We present a collection of Raman spectra of 18 kinds of amino acids ( L-alanine, L-arginine, L-aspartic acid, cystine, L-glutamic acid, L-glycine, L-histidine, L-isoluecine, L-leucine, L-lysine, L-phenylalanine, L-methionone, L-proline, L-serine, L-threonine, L-tryptophan, L-tyrosine, L-valine) and their aqueous solutions that can serve as references for the interpretation of Raman spectra of proteins and biological materials.

THz spectra of cortisone and the related medicine

NASA Astrophysics Data System (ADS)

Ma, Shihua; Ge, Min; Liu, Guifeng; Song, Xiyu; Zhang, Peng; Wang, Wenfeng

2009-07-01

THz-TDS are used to study four kinds of drug: cortisone, hydrocortisone, prednisone and prednisolone. The THz spectra of them are obtained and analyzed from 0.2 - 1.6 THz. The experimental results shows the four samples have the different THz spectra. Cortisone has a peak at 1.5 THz and a broad absorption peak at 0.96 THz, while hydrocortisone has a weak absorption peak that lies at 1.27 THz. At the same time the prednisone has the stronger absorption peaks than the others, and its two peaks shows at 1.24 THz and 1.5 THz. Prednisolone has a weak broad peak at 1.43 THz. The results of the theoretical calculation were performed using Gaussian 03 software with Density Functional Theory at the basis set of 6-31+G (d, p). The theoretical vibrational frequencies are compared with the experimental results, and the deviations are discussed. The THz spectra of the medicine show THz technique may be help to distinguish some different chemical bond and functional group.

Terahertz spectroscopic polarimetry of generalized anisotropic media composed of Archimedean spiral arrays: Experiments and simulations.

PubMed

Aschaffenburg, Daniel J; Williams, Michael R C; Schmuttenmaer, Charles A

2016-05-07

Terahertz time-domain spectroscopic polarimetry has been used to measure the polarization state of all spectral components in a broadband THz pulse upon transmission through generalized anisotropic media consisting of two-dimensional arrays of lithographically defined Archimedean spirals. The technique allows a full determination of the frequency-dependent, complex-valued transmission matrix and eigenpolarizations of the spiral arrays. Measurements were made on a series of spiral array orientations. The frequency-dependent transmission matrix elements as well as the eigenpolarizations were determined, and the eigenpolarizations were found be to elliptically corotating, as expected from their symmetry. Numerical simulations are in quantitative agreement with measured spectra.

Comparisons between wave directional spectra from SAR and pressure sensor arrays

NASA Technical Reports Server (NTRS)

Pawka, S. S.; Inman, D. L.; Hsiao, S. V.; Shemdin, O. H.

1980-01-01

Simultaneous directional wave measurements were made at Torrey Pines Beach, California, by a synthetic aperture radar (SAR) and a linear array of pressure sensors. The measurements were conducted during the West Coast Experiment in March 1977. Quantitative comparisons of the normalized directional spectra from the two systems were made for wave periods of 6.9-17.0 s. The comparison results were variable but generally showed good agreement of the primary mode of the normalized directional energy. An attempt was made to quantify the physical criteria for good wave imaging in the SAR. A frequency band analysis of wave parameters such as band energy, slope, and orbital velocity did not show good correlation with the directional comparisons. It is noted that absolute values of the wave height spectrum cannot be derived from the SAR images yet and, consequently, no comparisons of absolute energy levels with corresponding array measurements were intended.

Finite-Frequency Simulations of Core-Reflected Seismic Waves to Assess Models of General Lower Mantle Anisotropy

NASA Astrophysics Data System (ADS)

Nowacki, A.; Walker, A. M.; Wookey, J.; Kendall, J.

2012-12-01

The core-mantle boundary (CMB) region is the site of the largest change in properties in the Earth. Moreover, the lowermost mantle above it (known as D″) shows the largest lateral variations in seismic velocity and strength of seismic anisotropy below the upper mantle. It is therefore vital to be able to accurately forward model candidate structures in the lowermost mantle with realistic sensitivity to structure and at the same frequencies at which observations are made. We use the spectral finite-element method to produce synthetic seismograms of ScS waves traversing a model of D″ anisotropy derived from mineralogical texture calculations and show that the seismic discontinuity atop the lowermost mantle varies in character laterally purely as a function of the strength and orientation of anisotropy. The lowermost mantle is widely anisotropic, shown by numerous shear wave splitting studies using waves of dominant frequency ~0.2-1 Hz. Whilst methods exist to model the finite-frequency seismic response of the lowermost mantle, most make the problem computationally efficient by imposing a certain symmetry to the problem, and of those which do not, almost none allow for completely general elasticity. Where low frequencies are simulated to reduce computational cost, it is uncertain whether waves of that frequency have comparable sensitivity to D″ structure as those observed at shorter periods. Currently, therefore, these computational limitations precludes the ability to interpret our observations fully. We present recent developments in taking a general approach to forward-modelling waves in D″. We use a modified version of SPECFEM3D_GLOBE, which uses the spectral finite-element method to model seismic wave propagation in a fully generally-elastic (i.e., 3D-varying, arbitrarily anisotropic) Earth. The calculations are computationally challenging: to approach the frequency of the observations, up to 10,000 processor cores and up to 2 TB of memory are needed. The

On the suitability of ISO 16717-1 reference spectra for rating airborne sound insulation.

PubMed

Mašović, Draško B; Pavlović, Dragana S Šumarac; Mijić, Miomir M

2013-11-01

A standard proposal for rating airborne sound insulation in buildings [ISO 16717-1 (2012)] defines the reference noise spectra. Since their shapes influence the calculated values of single-number descriptors, reference spectra should approximate well typical noise spectra in buildings. There is, however, very little data in the existing literature on a typical noise spectrum in dwellings. A spectral analysis of common noise sources in dwellings is presented in this paper, as a result of an extensive monitoring of various noisy household activities. Apart from music with strong bass content, the proposed "living" reference spectrum overestimates noise levels at low frequencies.

Application of the parametric proper generalized decomposition to the frequency-dependent calculation of the impedance of an AC line with rectangular conductors

NASA Astrophysics Data System (ADS)

Sancarlos-González, Abel; Pineda-Sanchez, Manuel; Puche-Panadero, Ruben; Sapena-Bano, Angel; Riera-Guasp, Martin; Martinez-Roman, Javier; Perez-Cruz, Juan; Roger-Folch, Jose

2017-12-01

AC lines of industrial busbar systems are usually built using conductors with rectangular cross sections, where each phase can have several parallel conductors to carry high currents. The current density in a rectangular conductor, under sinusoidal conditions, is not uniform. It depends on the frequency, on the conductor shape, and on the distance between conductors, due to the skin effect and to proximity effects. Contrary to circular conductors, there are not closed analytical formulas for obtaining the frequency-dependent impedance of conductors with rectangular cross-section. It is necessary to resort to numerical simulations to obtain the resistance and the inductance of the phases, one for each desired frequency and also for each distance between the phases' conductors. On the contrary, the use of the parametric proper generalized decomposition (PGD) allows to obtain the frequency-dependent impedance of an AC line for a wide range of frequencies and distances between the phases' conductors by solving a single simulation in a 4D domain (spatial coordinates x and y, the frequency and the separation between conductors). In this way, a general "virtual chart" solution is obtained, which contains the solution for any frequency and for any separation of the conductors, and stores it in a compact separated representations form, which can be easily embedded on a more general software for the design of electrical installations. The approach presented in this work for rectangular conductors can be easily extended to conductors with an arbitrary shape.

IR Spectra of Different O2-Content Hemoglobin from Computational Study: Promising Detector of Hemoglobin Variant in Medical Diagnosis.

PubMed

Zhou, Su-Qin; Chen, Tu-Nan; Ji, Guang-Fu; Wang, En-Ren

2017-06-01

IR spectra of heme and different O 2 -content hemoglobin were studied by the quantum computation method at the molecule level. IR spectra of heme and different O 2 -content hemoglobin were quantificationally characterized from 0 to 100 THz. The IR spectra of oxy-heme and de-oxy-heme are obviously different at the frequency regions of 9.08-9.48, 38.38-39.78, 50.46-50.82, and 89.04-91.00 THz. At 24.72 THz, there exists the absorption peak for oxy-heme, whereas there is not the absorption peak for de-oxy-heme. Whether the heme contains Fe-O-O bond or not has the great influence on its IR spectra and vibration intensities of functional groups in the mid-infrared area. The IR adsorption peak shape changes hardly for different O 2 -content hemoglobin. However, there exist three frequency regions corresponding to the large change of IR adsorption intensities for containing-O 2 hemoglobin in comparison with de-oxy-hemoglobin, which are 11.08-15.93, 44.70-50.22, and 88.00-96.68 THz regions, respectively. The most differential values with IR intensity of different O 2 -content hemoglobin all exceed 1.0 × 10 4  L mol -1  cm -1 . With the increase of oxygen content, the absorption peak appears in the high-frequency region for the containing-O 2 hemoglobin in comparison with de-oxy-hemoglobin. The more the O 2 -content is, the greater the absorption peak is at the high-frequency region. The IR spectra of different O 2 -content hemoglobin are so obviously different in the mid-infrared region that it is very easy to distinguish the hemoglobin variant by means of IR spectra detector. IR spectra of hemoglobin from quantum computation can provide scientific basis and specific identification of hemoglobin variant resulting from different O 2 contents in medical diagnosis.

THE SPITZER ATLAS OF STELLAR SPECTRA (SASS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ardila, David R.; Van Dyk, Schuyler D.; Makowiecki, Wojciech

2010-12-15

We present the Spitzer Atlas of Stellar Spectra, which includes 159 stellar spectra (5-32 {mu}m; R {approx} 100) taken with the Infrared Spectrograph on the Spitzer Space Telescope. This Atlas gathers representative spectra of a broad section of the Hertzsprung-Russell diagram, intended to serve as a general stellar spectral reference in the mid-infrared. It includes stars from all luminosity classes, as well as Wolf-Rayet (WR) objects. Furthermore, it includes some objects of intrinsic interest, such as blue stragglers and certain pulsating variables. All of the spectra have been uniformly reduced, and all are available online. For dwarfs and giants, themore » spectra of early-type objects are relatively featureless, characterized by the presence of hydrogen lines in A spectral types. Besides these, the most noticeable photospheric features correspond to water vapor and silicon monoxide in late-type objects and methane and ammonia features at the latest spectral types. Most supergiant spectra in the Atlas present evidence of circumstellar gas and/or dust. The sample includes five M supergiant spectra, which show strong dust excesses and in some cases polycyclic aromatic hydrocarbon features. Sequences of WR stars present the well-known pattern of lines of He I and He II, as well as forbidden lines of ionized metals. The characteristic flat-top shape of the [Ne III] line is evident even at these low spectral resolutions. Several Luminous Blue Variables and other transition stars are present in the Atlas and show very diverse spectra, dominated by circumstellar gas and dust features. We show that the [8]-[24] Spitzer colors (IRAC and MIPS) are poor predictors of spectral type for most luminosity classes.« less

Far-infrared spectra of acetanilide revisited

NASA Astrophysics Data System (ADS)

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

2000-03-01

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

Modeling the frequency of opposing left-turn conflicts at signalized intersections using generalized linear regression models.

PubMed

Zhang, Xin; Liu, Pan; Chen, Yuguang; Bai, Lu; Wang, Wei

2014-01-01

The primary objective of this study was to identify whether the frequency of traffic conflicts at signalized intersections can be modeled. The opposing left-turn conflicts were selected for the development of conflict predictive models. Using data collected at 30 approaches at 20 signalized intersections, the underlying distributions of the conflicts under different traffic conditions were examined. Different conflict-predictive models were developed to relate the frequency of opposing left-turn conflicts to various explanatory variables. The models considered include a linear regression model, a negative binomial model, and separate models developed for four traffic scenarios. The prediction performance of different models was compared. The frequency of traffic conflicts follows a negative binominal distribution. The linear regression model is not appropriate for the conflict frequency data. In addition, drivers behaved differently under different traffic conditions. Accordingly, the effects of conflicting traffic volumes on conflict frequency vary across different traffic conditions. The occurrences of traffic conflicts at signalized intersections can be modeled using generalized linear regression models. The use of conflict predictive models has potential to expand the uses of surrogate safety measures in safety estimation and evaluation.

An MRI-Compatible High Frequency AC Resistive Heating System for Homeothermic Maintenance in Small Animals

PubMed Central

Gomes, Ana L.; Kinchesh, Paul; Kersemans, Veerle; Allen, Philip D.; Smart, Sean C.

2016-01-01

Purpose To develop an MRI-compatible resistive heater, using high frequency alternating current (AC), for temperature maintenance of anaesthetised animals. Materials and Methods An MRI-compatible resistive electrical heater was formed from narrow gauge wire connected to a high frequency (10–100 kHz) AC power source. Multiple gradient echo images covering a range of echo times, and pulse-acquire spectra were acquired with the wire heater powered using high frequency AC or DC power sources and without any current flowing in order to assess the sensitivity of the MRI acquisitions to the presence of current flow through the heater wire. The efficacy of temperature maintenance using the AC heater was assessed by measuring rectal temperature immediately following induction of general anaesthesia for a period of 30 minutes in three different mice. Results Images and spectra acquired in the presence and absence of 50–100 kHz AC through the wire heater were indistinguishable, whereas DC power created field shifts and lineshape distortions. Temperature lost during induction of anaesthesia was recovered within approximately 20 minutes and a stable temperature was reached as the mouse’s temperature approached the set target. Conclusion The AC-powered wire heater maintains adequate heat input to the animal to maintain body temperature, and does not compromise image quality. PMID:27806062

Guide to solar reference spectra and irradiance models

NASA Astrophysics Data System (ADS)

Tobiska, W. Kent

The international standard for determining solar irradiances was published by the International Standards Organization (ISO) in May 2007. The document, ISO 21348 Space Environment (natural and artificial) - Process for determining solar irradiances, describes the process for representing solar irradiances. We report on the next progression of standards work, i.e., the development of a guide that identifies solar reference spectra and irradiance models for use in engineering design or scientific research. This document will be produced as an AIAA Guideline and ISO Technical Report. It will describe the content of the reference spectra and models, uncertainties and limitations, technical basis, data bases from which the reference spectra and models are formed, publication references, and sources of computer code for reference spectra and solar irradiance models, including those which provide spectrally-resolved lines as well as solar indices and proxies and which are generally recognized in the solar sciences. The document is intended to assist aircraft and space vehicle designers and developers, heliophysicists, geophysicists, aeronomers, meteorologists, and climatologists in understanding available models, comparing sources of data, and interpreting engineering and scientific results based on different solar reference spectra and irradiance models.

Quasinormal Modes of Charged Dilaton Black Holes and Their Entropy Spectra

NASA Astrophysics Data System (ADS)

Sakalli, I.

2013-08-01

In this study, we employ the scalar perturbations of the charged dilaton black hole (CDBH) found by Chan, Horne and Mann (CHM), and described with an action which emerges in the low-energy limit of the string theory. A CDBH is neither asymptotically flat (AF) nor non-asymptotically flat (NAF) spacetime. Depending on the value of its dilaton parameter a, it has both Schwarzschild and linear dilaton black hole (LDBH) limits. We compute the complex frequencies of the quasinormal modes (QNMs) of the CDBH by considering small perturbations around its horizon. By using the highly damped QNM in the process prescribed by Maggiore, we obtain the quantum entropy and area spectra of these black holes (BHs). Although the QNM frequencies are tuned by a, we show that the quantum spectra do not depend on a, and they are equally spaced. On the other hand, the obtained value of undetermined dimensionless constant ɛ is the double of Bekenstein's result. The possible reason of this discrepancy is also discussed.

Damping and power spectra of quasi-periodic intensity disturbances above a solar polar coronal hole

NASA Astrophysics Data System (ADS)

Jiao, Fang-Ran; Xia, Li-Dong; Huang, Zheng-Hua; Li, Bo; Fu, Hui; Yuan, Ding; Chandrashekhar, Kalugodu

2016-06-01

We study intensity disturbances above a solar polar coronal hole that can be seen in the AIA 171 Å and 193 Å passbands, aiming to provide more insights into their physical nature. The damping and power spectra of the intensity disturbances with frequencies from 0.07 mHz to 10.5 mHz are investigated. The damping of the intensity disturbances tends to be stronger at lower frequencies, and their damping behavior below 980″ (for comparison, the limb is at 945″) is different from what happens above. No significant difference is found between the damping of the intensity disturbances in the AIA 171 Å and that in the AIA 193 Å. The indices of the power spectra of the intensity disturbances are found to be slightly smaller in the AIA 171 Å than in the AIA 193 Å, but the difference is within one standard deviation. An additional enhanced component is present in the power spectra in a period range of 8-40 min at lower heights. The power spectra of a spicule is highly correlated with its associated intensity disturbance, which suggests that the power spectra of the intensity disturbances might be a mixture of spicules and wave activities. We suggest that each intensity disturbance in the polar coronal hole is possibly a series of independent slow magnetoacoustic waves triggered by spicular activities.

Vibrational investigation on FT-IR and FT-Raman spectra, IR intensity, Raman activity, peak resemblance, ideal estimation, standard deviation of computed frequencies analyses and electronic structure on 3-methyl-1,2-butadiene using HF and DFT (LSDA/B3LYP/B3PW91) calculations.

PubMed

Ramalingam, S; Jayaprakash, A; Mohan, S; Karabacak, M

2011-11-01

FT-IR and FT-Raman (4000-100 cm(-1)) spectral measurements of 3-methyl-1,2-butadiene (3M12B) have been attempted in the present work. Ab-initio HF and DFT (LSDA/B3LYP/B3PW91) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies, IR intensities and Raman activities. Complete vibrational assignments on the observed spectra are made with vibrational frequencies obtained by HF and DFT (LSDA/B3LYP/B3PW91) at 6-31G(d,p) and 6-311G(d,p) basis sets. The results of the calculations have been used to simulate IR and Raman spectra for the molecule that showed good agreement with the observed spectra. The potential energy distribution (PED) corresponding to each of the observed frequencies are calculated which confirms the reliability and precision of the assignment and analysis of the vibrational fundamentals modes. The oscillation of vibrational frequencies of butadiene due to the couple of methyl group is also discussed. A study on the electronic properties such as HOMO and LUMO energies, were performed by time-dependent DFT (TD-DFT) approach. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties of the title compound at different temperatures reveal the correlations between standard heat capacities (C) standard entropies (S), and standard enthalpy changes (H). Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

THERMAL ABSORPTION AS THE CAUSE OF GIGAHERTZ-PEAKED SPECTRA IN PULSARS AND MAGNETARS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewandowski, Wojciech; Rożko, Karolina; Kijak, Jarosław

2015-07-20

We present a model that explains the observed deviation of the spectra of some pulsars and magnetars from the power-law spectra that are seen in the bulk of the pulsar population. Our model is based on the assumption that the observed variety of pulsar spectra can be naturally explained by the thermal free–free absorption that takes place in the surroundings of the pulsars. In this context, the variety of the pulsar spectra can be explained according to the shape, density, and temperature of the absorbing media and the optical path of the line of sight across it. We have putmore » specific emphasis on the case of the radio magnetar SGR J1745–2900 (also known as the Sgr A* magnetar), modeling the rapid variations of the pulsar spectrum after the outburst of 2013 April as due to the free–free absorption of the radio emission in the electron material ejected during the magnetar outburst. The ejecta expands with time and consequently the absorption rate decreases and the shape of the spectrum changes in such a way that the peak frequency shifts toward the lower radio frequencies. In the hypothesis of an absorbing medium, we also discuss the similarity between the spectral behavior of the binary pulsar B1259–63 and the spectral peculiarities of isolated pulsars.« less

Calculating Permittivity and Dielectric Loss Frequency Spectra for Aqueous Electrolyte Solutions

NASA Astrophysics Data System (ADS)

Odinaev, S.; Makhmadbegov, R. S.

2018-01-01

Analytic expressions for dielectric permittivity factor ɛ1(ω) and dielectric dissipation factor ɛ2(ω) of electrolyte solutions are obtained, based on the ratio between complex factors of dielectric permittivity and specific conductivity. The range of frequency dispersion of dynamic factors ɛ1(ω) and ɛ2(ω) for aqueous solutions of LiCl, NaCl, KCl, and CsCl is considered. Numerical calculations are performed for friction coefficients β a and β b ; relaxation times τ a , τ b , and τ ab ; and factors ɛ1(ω) and ɛ2(ω) in a wide range of variation for ρ; concentration c; temperature T; and frequencies ω. The resulting theoretically calculated ɛ1(ω) and ɛ2(ω) values and the Cole-Cole diagram are in quantitative agreement with experimental data.

Infrared reflectance spectra (2. 2-15. mu. m) of plagioclase feldspars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nash, D.B.; Salisbury, J.W.

Laboratory results show that (1) the Christiansen frequency (CF) feature in mid-infrared reflectance spectra of powders can be used to accurately distinguish plagioclase composition, and (2) the wavelength position of the CF is not affected by vitrification of the plagioclase. Although the CF position does not distinguish glass from crystalline forms of plagioclase, other features (combination-tone, overtone, restrahlen bands) in the mid-IR spectra of plagioclase can be used for that purpose. These results have important implications for application of thermal emission spectroscopy to mapping the surface composition of regolith-covered planetary bodies like the Moon, Mars, and asteroids.

Delta and theta power spectra of night sleep EEG are higher in breast-feeding mothers than in non-pregnant women.

PubMed

Nishihara, Kyoko; Horiuchi, Shigeko; Eto, Hiromi; Uchida, Sunao; Honda, Makoto

2004-09-23

The power spectra of night sleep EEGs of 12 breast-feeding 9-13 week postpartum mothers were analyzed and compared with those of 12 non-pregnant women. The power spectra in the delta and theta frequency range during NREM sleep for breast-feeding mothers were significantly higher than those for non-pregnant women. In addition, the all-night sleep patterns of the mothers were classified into two groups - interrupted sleep due to taking care of their infants and non-interrupted sleep - in order to observe the influence of partial sleep deprivation. The power spectra in the delta and theta frequency range were not significantly different between them. This result suggests that increased delta and theta power spectra during postpartum sleep do not result from partial sleep deprivation. The role of prolactin in breast-feeding mothers' sleep is also discussed.

Background magnetic spectra - Approximately 10 to the -5th to approximately 10 to the 5th Hz

NASA Astrophysics Data System (ADS)

Lanzerotti, L. J.; Maclennan, C. G.; Fraser-Smith, A. C.

1990-09-01

The determination of the amplitude and functional form of the geomagnetic fluctuations measured at the Arrival Heights area of the Hut Point Peninsula on Ross Island in June 1986 is presented. The frequency range covered is from approximately 10 to the -5th to approximately 10 to the 5th Hz, with a gap between 0.1 and 10 Hz due to instrumentation limitations. In spite of this gap, it is thought that these magnetic fluctuation spectra, obtained from data acquired simultaneously with two instruments, cover the broadest frequency range to date. Schematic spectra derived from the data obtained are provided.

Hadron rapidity spectra within a hybrid model

NASA Astrophysics Data System (ADS)

Khvorostukhin, A. S.; Toneev, V. D.

2017-01-01

A 2-stage hybrid model is proposed that joins the fast initial state of interaction, described by the hadron string dynamics (HSD) model, to subsequent evolution of the expanding system at the second stage, treated within ideal hydrodynamics. The developed hybrid model is assigned to describe heavy-ion collisions in the energy range of the NICA collider under construction in Dubna. Generally, the model is in reasonable agreement with the available data on proton rapidity spectra. However, reproducing proton rapidity spectra, our hybrid model cannot describe the rapidity distributions of pions. The model should be improved by taking into consideration viscosity effects at the hydrodynamical stage of system evolution.

Simulation of Infrared Spectra of Carbonaceous Grains

NASA Astrophysics Data System (ADS)

Dadswell, G.; Duley, W. W.

1997-02-01

Random covalent network (RCN) theory is applied to describe the infrared spectroscopic properties of carbonaceous solids with compositions containing a mixture of aromatic, aliphatic, and diamond-like hydrocarbons. Application of this technique to carbonaceous dust is equivalent to the synthesis of solids whose structure and bonding satisfy stoicheometry while minimizing strain energy. The result involves a range of compositions compatible with carbon bonding and the hydrogen concentration incorporated in the network. In general, only a limited range of compositions is available rather than the infinite number of possible compositions expected without the inclusion of these constraints. When compositions have been defined in this way, infrared spectra may be synthesized for comparison with astronomical spectra of interstellar carbonaceous solids. Such spectra contain components corresponding to absorption by CHn groups in which n = 1-3. We find, however, that additional spectral features, not included in our simple chemical model, must be present also in dust. We give plots of such spectra in the 3100-2800 cm-1 (3.2-3.6 μm) region for comparison with infrared spectra of interstellar dust. We have also developed an RCN formalism that incorporates oxygen into the carbon network as OH groups, and we show that this inclusion introduces a strong additional absorption band in the 3300 cm-1 (3.0 μm) region.

Theoretical Study of Infrared and Raman Spectra of Hydrated Magnesium Sulfate Salts

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Huo, Winifred M.; Lee, Timothy J.; Kwak, Dochan (Technical Monitor)

2002-01-01

Harmonic and anharmonic vibrational frequencies, as well as infrared and Raman intensities, are calculated for MgSO4.nH20 (n=1-3). Electronic structure theory at the second order Moller-Plesset perturbation theory (MP2) level with a triple-zeta + polarization (TZP) basis set is used to determine the geometry, properties, and vibrational spectra of pure and hydrated MgSO4 salts. The direct vibrational self-consistent field (VSCF) method and its correlation corrected (CC-VSCF) extension are used to determine anharmonic corrections to vibrational frequencies and intensities for the pure MgSO4 and its complex with one water molecule. Very significant differences are found between vibrational of water molecules in complexes with MgSO4 and pure water. Some of the O-H stretching frequencies are shifted to the red very significantly (by up to 1500-2000/cm) upon complexation with magnesium sulfate. They should be observed between 1700 and 3000/cm in a region very different from the corresponding O-H stretch frequency region of pure water (3700-3800/cm). In addition, the SO2 stretching vibrations are found at lower frequency regions than the water vibrations. They can serve as unique identifiers for the presence of sulfate salts. The predicted infrared and Raman spectra should be of valuable help in the design of future missions and analysis of observed data from the ice surface of Jupiter's moon Europa that possibly contains hydrated MgSO4 salts.

User's manual SIG: a general-purpose signal processing program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lager, D.; Azevedo, S.

1983-10-25

SIG is a general-purpose signal processing, analysis, and display program. Its main purpose is to perform manipulations on time- and frequency-domain signals. However, it has been designed to ultimately accommodate other representations for data such as multiplexed signals and complex matrices. Many of the basic operations one would perform on digitized data are contained in the core SIG package. Out of these core commands, more powerful signal processing algorithms may be built. Many different operations on time- and frequency-domain signals can be performed by SIG. They include operations on the samples of a signal, such as adding a scalar tomore » each sample, operations on the entire signal such as digital filtering, and operations on two or more signals such as adding two signals. Signals may be simulated, such as a pulse train or a random waveform. Graphics operations display signals and spectra.« less

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

PubMed

Wang, Jianlong; Nguyen, Anh V

2017-12-01

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

A multi-frequency impedance analysing instrument for eddy current testing

NASA Astrophysics Data System (ADS)

Yin, W.; Dickinson, S. J.; Peyton, A. J.

2006-02-01

This paper presents the design of a high-performance multi-frequency impedance analysing instrument (MFIA) for eddy current testing which has been developed primarily for monitoring a steel production process using an inductive sensor. The system consists of a flexible multi-frequency waveform generator and a voltage/current measurement unit. The impedance of the sensor is obtained by cross-spectral analysis of the current and voltage signals. The system contains high-speed digital-to-analogue, analogue-to-digital converters and dual DSPs with one for control and interface and one dedicated to frequency-spectra analysis using fast Fourier transformation (FFT). The frequency span of the signal that can be analysed ranges from 1 kHz to 8 MHz. The system also employs a high-speed serial port interface (USB) to communicate with a personal computer (PC) and to allow for fast transmission of data and control commands. Overall, the system is capable of delivering over 250 impedance spectra per second. Although the instrument has been developed mainly for use with an inductive sensor, the system is not restricted to inductive measurement. The flexibility of the design architecture is demonstrated with capacitive and resistive measurements by using appropriate input circuitry. Issues relating to optimizing the phase of the spectra components in the excitation waveform are also discussed.

The absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphthalenes in crystalline matrixes at 77 K

NASA Astrophysics Data System (ADS)

Iliescu, T.; Milea, I.; Abdolrahman, P. M.

1984-03-01

The paper studies the absorption, fluorescence and phosphorescence spectra of α and β-F, Cl, Br-naphtalenes (α, β-F, Cl,BrN) in different matrixes at 77 K and different concentrations. From these spectra one obtaines the vibrational frequences.

Mid-Infrared Vibrational Spectra of Discrete Acetone-Ligated Cerium Hydroxide Cations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Groenewold, G. S.; Gianotto, Anita K.; Cossel, Kevin C.

2007-02-15

Cerium (III) hydroxy reactive sites are responsible for several important heterogeneous catalysis processes, and understanding the reaction chemistry of substrate molecules like CO, H2O, and CH3OH as they occur in heterogeneous media is a challenging task. We report here the first infrared spectra of model gas-phase cerium complexes and use the results as a benchmark to assist evaluation of the accuracy of ab initio calculations. Complexes containing [CeOH]2+ ligated by three- and four-acetone molecules were generated by electrospray ionization and characterized using wavelength-selective infrared multiple photon dissociation (IRMPD). The C=O stretching frequency for the [CeOH(acetone)4]2+ species appeared at 1650 cm-1more » and was red-shifted by 90 cm-1 compared to unligated acetone. The magnitude of this shift for the carbonyl frequency was even greater for the [CeOH(acetone)3]2+ complex: the IRMPD peak consisted of two dissociation channels, an initial elimination of acetone at 1635 cm-1, and elimination of acetone accompanied by a serial charge separation producing [CeO(acetone)]+ at 1599 cm-1, with the overall frequency centered at 1616 cm-1. The increasing red shift observed as the number of acetone ligands decreases from four to three is consistent with transfer of more electron density per ligand in the less coordinated complexes. The lower frequency measured for the elimination/charge separation process is likely due to anharmonicity resulting from population of higher vibrational states. The C-C stretching frequency in the complexes is also influenced by coordination to the metal: it is blue-shifted compared to bare acetone, indicating a slight strengthening of the C-C bond in the complex, with the intensity of the absorption decreasing with decreasing ligation. Density functional theory (DFT) calculations using three different functionals (LDA, B3LYP, and PBE0) are used to predict the infrared spectra of the complexes. Calculated frequencies for the

A general theory on frequency and time-frequency analysis of irregularly sampled time series based on projection methods - Part 2: Extension to time-frequency analysis

NASA Astrophysics Data System (ADS)

Lenoir, Guillaume; Crucifix, Michel

2018-03-01

Geophysical time series are sometimes sampled irregularly along the time axis. The situation is particularly frequent in palaeoclimatology. Yet, there is so far no general framework for handling the continuous wavelet transform when the time sampling is irregular. Here we provide such a framework. To this end, we define the scalogram as the continuous-wavelet-transform equivalent of the extended Lomb-Scargle periodogram defined in Part 1 of this study (Lenoir and Crucifix, 2018). The signal being analysed is modelled as the sum of a locally periodic component in the time-frequency plane, a polynomial trend, and a background noise. The mother wavelet adopted here is the Morlet wavelet classically used in geophysical applications. The background noise model is a stationary Gaussian continuous autoregressive-moving-average (CARMA) process, which is more general than the traditional Gaussian white and red noise processes. The scalogram is smoothed by averaging over neighbouring times in order to reduce its variance. The Shannon-Nyquist exclusion zone is however defined as the area corrupted by local aliasing issues. The local amplitude in the time-frequency plane is then estimated with least-squares methods. We also derive an approximate formula linking the squared amplitude and the scalogram. Based on this property, we define a new analysis tool: the weighted smoothed scalogram, which we recommend for most analyses. The estimated signal amplitude also gives access to band and ridge filtering. Finally, we design a test of significance for the weighted smoothed scalogram against the stationary Gaussian CARMA background noise, and provide algorithms for computing confidence levels, either analytically or with Monte Carlo Markov chain methods. All the analysis tools presented in this article are available to the reader in the Python package WAVEPAL.

Automated Removal of Bad-Baseline Spectra from ACSIS/HARP Heterodyne Time Series

NASA Astrophysics Data System (ADS)

Currie, M. J.

2013-10-01

Heterodyne time-series spectral data often exhibit distorted or noisy baselines. These are either transient due to external interference or pickup; or affect a receptor throughout an observation or extended period, possibly due to a poor cable connection. While such spectra can be excluded manually, this is time consuming and prone to omission, especially for the high-frequency interference affecting just one or two spectra in typically several to twenty thousand, yet can produce undesirable artifacts in the reduced spectral cube. Further astronomers have tended to reject an entire receptor if any of its spectra are suspect; as a consequence the reduced products have lower signal-to-noise, and enhanced graticule patterns due to the variable coverage and detector relative sensitivities. This paper illustrates some of the types of aberrant spectra for ACSIS/HARP on the James Clerk Maxwell Telescope and the algorithms used to identify and remove them, applied within the ORAC-DR pipeline, and compares an integrated map with and without baseline filtering.

Strong coupling effects in the polarized IR spectra of the chain hydrogen bond systems in imidazole crystals: H/D isotopic ?self-organization? effects in the IR spectra of isotopically diluted imidazole single crystals

NASA Astrophysics Data System (ADS)

Flakus, Henryk T.; Michta, Anna

2004-11-01

This paper presents the investigation results of the polarized IR spectra of H1245 imidazole crystals and of D1H245, D1245 and H1D245 imidazole deuterium derivative crystals. The spectra were measured using polarized light at the room temperature and at 77 K by a transmission method, for two different crystalline faces. Theoretical analysis of the results concerned linear dichroic effects, H/D isotopic and temperature effects, observed in the spectra of the hydrogen and of the deuterium bonds in imidazole crystals, at the frequency ranges of νN-H and νN-D bands. The basic crystal spectral properties can be satisfactorily interpreted in a quantitative way for a hydrogen bond linear dimer model. Such a model explains not only a two-branch structure of the νN-H and νN-D bands in crystalline spectra, but also some essential linear dichroic effects in the band frequency ranges, for isotopically diluted crystals. Model calculations, performed within the limits of the strong-coupling model, allowed for quantitative interpretation and for understanding of the basic properties of the hydrogen bond IR spectra of imidazole crystals, H/D isotopic, temperature and dichroic effects included. The results allowed verification of theoretical models proposed recently for the imidazole crystal spectra generation mechanisms. In the scope of our studies, the mechanism of H/D isotopic self-organization processes, taking place in the crystal hydrogen bond lattices, was also recognized. It was proved that for isotopically diluted crystalline samples of imidazole, a non-random distribution of protons and deuterons exclusively occurs in some restricted fragments (domains) of open chains of the hydrogen-bonded molecules. Nevertheless, these co-operative interactions between the hydrogen bonds do not concern adjacent fragments of neighboring hydrogen bond chains in the lattice. Analysis of the isotopic self-organization effects in the spectra of imidazole crystals delivered crucial

Homogeneous and inhomogeneous broadenings and the Voigt line shapes in the phase-resolved and intensity sum-frequency generation vibrational spectroscopy.

PubMed

Chen, Shun-Li; Fu, Li; Gan, Wei; Wang, Hong-Fei

2016-01-21

In this report, we show that the ability to measure the sub-1 cm(-1) resolution phase-resolved and intensity high-resolution broadband sum frequency generation vibrational spectra of the -CN stretch vibration of the Langmuir-Blodgett (LB) monolayer of the 4-n-octyl-4'-cyanobiphenyl (8CB) on the z-cut α-quartz surface allows the direct comparison and understanding of the homogeneous and inhomogeneous broadenings in the imaginary and intensity SFG vibrational spectral line shapes in detail. The difference of the full width at half maximum (FWHM) of the imaginary and intensity sum-frequency generation vibrational spectroscopy spectra of the same vibrational mode is the signature of the Voigt line shape and it measures the relative contribution to the overall line shape from the homogeneous and inhomogeneous broadenings in SFG vibrational spectra. From the phase-resolved and intensity spectra, we found that the FWHM of the 2238.00 ± 0.02 cm(-1) peak in the phase-resolved imaginary and intensity spectra is 19.2 ± 0.2 cm(-1) and 21.6 ± 0.4 cm(-1), respectively, for the -CN group of the 8CB LB monolayer on the z-cut α-quartz crystal surface. The FWHM width difference of 2.4 cm(-1) agrees quantitatively with a Voigt line shape with a homogeneous broadening half width of Γ = 5.29 ± 0.08 cm(-1) and an inhomogeneous standard derivation width Δω = 5.42 ± 0.07 cm(-1). These results shed new lights on the understanding and interpretation of the line shapes of both the phase-resolved and the intensity SFG vibrational spectra, as well as other incoherent and coherent spectroscopic techniques in general.

Polarized Power Spectra from HERA-19 Commissioning Data: Instrument Stability

NASA Astrophysics Data System (ADS)

Fox Fortino, Austin; Chichura, Paul; Igarashi, Amy; Kohn, Saul; Aguirre, James; HERA Collaboration

2018-01-01

The Epoch of Reionization (EoR) is a key period in the universe’s history, containing the formation of the first galaxies and large scale structures. Foreground emission is the limiting factor in detecting the 21 cm emission from the Epoch of Reionization (EoR). The HERA-19 low frequency radio interferometer aims to reduce the obfuscation from the foreground emission with its dish shaped antennae. We generate polarized 2D (cylindrically averaged) power spectra from seven days of observation from the HERA-19 2016 observation season in each of the four Stokes parameters I, Q, U, and V. These power spectra serve as a potent diagnostic tool that allow us to understand the instrument stability by comparison between nominally redundant baselines, and between observations of nominally the same astrophysical sky on successive days. The power spectra are expected to vary among nominally redundant measurements due to ionosphere fluctuations and thermal changes in the electronics and instrument beam patterns, as well as other factors. In this work we investigate the stability over time of these polarized power spectra, and use them to quantify the variation due to these effects.

Spectral analysis of temperature and Brunt-Vaisala frequency fluctuations observed by radiosondes

NASA Technical Reports Server (NTRS)

Tsuda, T.; Vanzandt, T. E.; Kato, S.; Fukao, S.; Sato, T.

1989-01-01

Recent studies have revealed that vertical wave number spectra of wind velocity and temperture fluctuations in the troposphere and the lower stratosphere are fairly well explained by a saturated gravity wave spectrum. But N(2) (N:Brunt-Vaisala (BV) frequency) spectra seem to be better for testing the scaling of the vertical wave number spectra in layers with different stratifications, beause its energy density is proportional only to the background value of N(2), while that for temperature depends on both the BV frequency and the potential temperature. From temperature profiles observed in June to August 1987 over the MU Observatory, Japan, by using a radiosonde with 30 m height resolution, N(2) spectra are determined in the 2 to 8.5 km (troposphere) and 18.5 to 25 km (lower stratosphere) ranges. Although individual spectra show fairly large day-by-day variability, the slope of the median of 34 spectra agrees reasonably with the theoretical value of -1 in the wave number range of 6 x 10(-4) similar to 3 x 10(-3) (c/m). The ratio of the spectral energy between these two height regions is about equal to the ratio of N(2), consistent with the prediction of saturated gravity wave theory.

Multi-Epoch Multiwavelength Spectra and Models for Blazar 3C 279

NASA Technical Reports Server (NTRS)

Hartman, R. C.; Boettcher, M.; Aldering, G.; Aller, H.; Aller, M.; Backman, D. E.; Balonek, T. J.; Bertsch, D. L.; Bloom, S. D.; Bock, H.;

Tympanal spontaneous oscillations reveal mechanisms for the control of amplified frequency in tree crickets

NASA Astrophysics Data System (ADS)

Mhatre, Natasha; Robert, Daniel

2018-05-01

Tree cricket hearing shows all the features of an actively amplified auditory system, particularly spontaneous oscillations (SOs) of the tympanal membrane. As expected from an actively amplified auditory system, SO frequency and the peak frequency in evoked responses as observed in sensitivity spectra are correlated. Sensitivity spectra also show compressive non-linearity at this frequency, i.e. a reduction in peak height and sharpness with increasing stimulus amplitude. Both SO and amplified frequency also change with ambient temperature, allowing the auditory system to maintain a filter that is matched to song frequency. In tree crickets, remarkably, song frequency varies with ambient temperature. Interestingly, active amplification has been reported to be switched ON and OFF. The mechanism of this switch is as yet unknown. In order to gain insights into this switch, we recorded and analysed SOs as the auditory system transitioned from the passive (OFF) state to the active (ON) state. We found that while SO amplitude did not follow a fixed pattern, SO frequency changed during the ON-OFF transition. SOs were first detected above noise levels at low frequencies, sometimes well below the known song frequency range (0.5-1 kHz lower). SO frequency was observed to increase over the next ˜30 minutes, in the absence of any ambient temperature change, before settling at a frequency within the range of conspecific song. We examine the frequency shift in SO spectra with temperature and during the ON/OFF transition and discuss the mechanistic implications. To our knowledge, such modulation of active auditory amplification, and its dynamics are unique amongst auditory animals.

Frequency Analysis of the Laser Biospeckle

NASA Astrophysics Data System (ADS)

Enes, Adilson M.; Rabelo, Giovanni F.; Júnior, Roberto A. Braga; Dal Fabbro, Inácio M.; Vilela, Michelle

2008-04-01

This research work presents a study of beans seed tissue (Phaseolous vulgaris, L.) optical interactions with laser aiming to contribute to the development of biospeckle techniques applied to the recognition of bean seed tissue vitality when contaminated with fungi, by differentiating the generated frequency spectra. Biospeckle is an interference optic phenomenon occurring when a laser beam reaches a surface exhibiting some dynamic process, due to biological activities or purely physical changes. The technique involves image processing to distinguish each different active material contribution present in the seed, by means of the procedure known as "Moment of Inertia" and frequency analysis. Frequency analysis was carried by Fourier Transform preceded by module of convolution. A great challenge in this area is to identify the elements contribution to increase biospeckle activity, such as water, microorganisms, among others. This research work is recognized to provide an important step aiming to characterize the interaction of laser with biological material. Three groups of bean seeds were employed, one represented by healthy seeds and two groups composed of seeds contaminated with Aspergillus spp as well as with Fusarium spp fungi. The biospeckle analysis considered the activity and its frequency spectra. The seeds were each one exposed to laser in a random order. The results reveled differences in the average values of MI of the three seed groups. Also, some different harmonics in the biospeckle pattern in a same group as well as among seed groups had been noticed. These results allow confirming that it is possible to differentiate contaminated seeds from non-contaminated ones by means of biospeckle frequency analysis.

Isotope effects on the optical spectra of semiconductors

NASA Astrophysics Data System (ADS)

Cardona, Manuel; Thewalt, M. L. W.

2005-10-01

Since the end of the cold war, macroscopic amounts of separated stable isotopes of most elements have been available “off the shelf” at affordable prices. Using these materials, single crystals of many semiconductors have been grown and the dependence of their physical properties on isotopic composition has been investigated. The most conspicuous effects observed have to do with the dependence of phonon frequencies and linewidths on isotopic composition. These affect the electronic properties of solids through the mechanism of electron-phonon interaction, in particular, in the corresponding optical excitation spectra and energy gaps. This review contains a brief introduction to the history, availability, and characterization of stable isotopes, including their many applications in science and technology. It is followed by a concise discussion of the effects of isotopic composition on the vibrational spectra, including the influence of average isotopic masses and isotopic disorder on the phonons. The final sections deal with the effects of electron-phonon interaction on energy gaps, the concomitant effects on the luminescence spectra of free and bound excitons, with particular emphasis on silicon, and the effects of isotopic composition of the host material on the optical transitions between the bound states of hydrogenic impurities.

UV irradiation-induced Raman spectra changes in lead silicate glasses

NASA Astrophysics Data System (ADS)

Jia, Hongzhi; Chen, Guanghui; Wang, Wencheng

2006-12-01

The Raman spectra for a series of lead silicate glasses with different PbO content before and after irradiation with different energy density by the frequency-quadrupled output of a Q-switched YAG laser (266 nm, 10 Hz repetition rate) were measured. The intensity of Pb-O band near 140 cm -1 in the Raman spectra decreases after UV irradiation and no new band appears in the Raman spectra. Exposed to the UV beam with high energy density (150 mJ/cm 2), although the total dose is smaller than the dose with low energy density (50 mJ/cm 2), the intensity of the 140 cm -1 band drops heavilier than exposed to the UV beam with low energy density. This shows that the UV irradiation can cause the broken of Pb-O bond in lead silicate glasses and the broken of Pb-O bond is related to the energy density of UV beam.

The Radio-optical Spectra of BL Lacs and Possible Relatives

NASA Astrophysics Data System (ADS)

Dennett-Thorpe, J.

I consider the suggestion that, in a complete sample of flat-spectrum radio sources with available optical spectra (Marcha et al 1996), the strong emission line objects, or those with passive elliptical spectra are close relatives of the BL Lacs. New observations at four frequencies from 8 to 43GHz are presented, together with evidence for radio variability. Combined with other radio and optical data from the literature, we are able to construct the non-thermal SEDs and use these to address the questions: are the optically passive objects potentially `unrecognised' BL Lacs (either intrinsically weak and/or hidden by starlight)? What is the relationship between the surprising number of strong emission-line objects and the BL Lacs?

Co2+Ti4+ substituted Z-type barium ferrite with enhanced imaginary permeability and resonance frequency

NASA Astrophysics Data System (ADS)

Li, Z. W.; Guoqing, Lin; Chen, Linfeng; Yuping, Wu; Ong, C. K.

2006-03-01

Co2+Ti4+ substitution for Fe3+ in Co2Z (Ba3Co2Fe24O41) has been prepared. The crystal structure and static and high-frequency magnetic properties have been studied for Ba3Co2+xTixFe24-2xO41 and the corresponding ferrite/polymer composites. As compared to the general Co2Z ferrite/polymer composite, the CoTi substituted ferrite/polymer composite with x=1.0 has a high natural resonance frequency (4.5 GHz), due to its large out-of-plane anisotropy fields Hθ. Furthermore, the maximum imaginary permeability μmax'' is increased by about 50%. The increase is attributed to a decreased damping coefficient, based on the curve-fitted results to the complex permeability spectra. The composites are good electromagnetic attenuation materials with low reflectivity and broad bandwidth at microwave frequencies.

Eigenvectors of optimal color spectra.

PubMed

Flinkman, Mika; Laamanen, Hannu; Tuomela, Jukka; Vahimaa, Pasi; Hauta-Kasari, Markku

2013-09-01

Principal component analysis (PCA) and weighted PCA were applied to spectra of optimal colors belonging to the outer surface of the object-color solid or to so-called MacAdam limits. The correlation matrix formed from this data is a circulant matrix whose biggest eigenvalue is simple and the corresponding eigenvector is constant. All other eigenvalues are double, and the eigenvectors can be expressed with trigonometric functions. Found trigonometric functions can be used as a general basis to reconstruct all possible smooth reflectance spectra. When the spectral data are weighted with an appropriate weight function, the essential part of the color information is compressed to the first three components and the shapes of the first three eigenvectors correspond to one achromatic response function and to two chromatic response functions, the latter corresponding approximately to Munsell opponent-hue directions 9YR-9B and 2BG-2R.

Cross spectra between temperature and pressure in a constant area duct downstream of a combustor

NASA Technical Reports Server (NTRS)

Miles, J. H.; Wasserbauer, C. A.; Krejsa, E. A.

1983-01-01

The feasibility of measuring pressure temperature cross spectra and coherence and temperature-temperature cross spectra and coherence at spatially separated points along with pressure and temperature auto-spectra in a combustion rig was investigated. The measurements were made near the inlet and exit of a 6.44 m long duct attached to a J-47 combustor. The fuel used was Jet A. The cross spectra and coherence measurements show the pressure and temperature fluctuations correlate best at low frequencies. At the inlet the phenomena controlling the phase relationship between pressure and temperature could not be identified. However, at the duct exit the phase angle of the pressure is related to the phase angle of the temperature by the convected flow time delay.

Definition of energy-calibrated spectra for national reachback

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kunz, Christopher L.; Hertz, Kristin L.

2014-01-01

Accurate energy calibration is critical for the timeliness and accuracy of analysis results of spectra submitted to National Reachback, particularly for the detection of threat items. Many spectra submitted for analysis include either a calibration spectrum using 137Cs or no calibration spectrum at all. The single line provided by 137Cs is insufficient to adequately calibrate nonlinear spectra. A calibration source that provides several lines that are well-spaced, from the low energy cutoff to the full energy range of the detector, is needed for a satisfactory energy calibration. This paper defines the requirements of an energy calibration for the purposes ofmore » National Reachback, outlines a method to validate whether a given spectrum meets that definition, discusses general source considerations, and provides a specific operating procedure for calibrating the GR-135.« less

First-principles calculations of phonons and Raman and infrared spectra in Cd-IV-N2 compounds

NASA Astrophysics Data System (ADS)

Lyu, Sai; Lambrecht, Walter R. L.

2018-05-01

A first-principles study of the phonons at the zone center in Cd-IV-N2 compounds is presented with IV = Si, Ge, Sn. The calculations are performed for the most likely Pbn21 crystal structure, after showing that it is indeed lower in total energy compared to the closely related Pmc21 structure. The normal mode frequencies are calculated using density functional perturbation theory and symmetry labeled. The longitudinal optical-transverse optical splittings are determined using the Born effective charges which are also reported. These are used to simulate polarized Raman spectra for different scattering configurations as well as the infrared absorption and reflection spectra. The mode frequencies are found to decrease from Si to Ge to Sn as group-IV cation. The spectra show a wide variety of number of prominent peaks and relative intensities in spite of the great similarities of these three materials. Phonon densities of states and their analysis in atom by atom contributions are also reported.

Circadian variation of EEG power spectra in NREM and REM sleep in humans: dissociation from body temperature

NASA Technical Reports Server (NTRS)

Dijk, D. J.

1999-01-01

In humans, EEG power spectra in REM and NREM sleep, as well as characteristics of sleep spindles such as their duration, amplitude, frequency and incidence, vary with circadian phase. Recently it has been hypothesized that circadian variations in EEG spectra in humans are caused by variations in brain or body temperature and may not represent phenomena relevant to sleep regulatory processes. To test this directly, a further analysis of EEG power spectra - collected in a forced desynchrony protocol in which sleep episodes were scheduled to a 28-h period while the rhythms of body temperature and plasma melatonin were oscillating at their near 24-h period - was carried out. EEG power spectra were computed for NREM and REM sleep occurring between 90-120 and 270-300 degrees of the circadian melatonin rhythm, i.e. just after the clearance of melatonin from plasma in the 'morning' and just after the 'evening' increase in melatonin secretion. Average body temperatures during scheduled sleep at these two circadian phases were identical (36.72 degrees C). Despite identical body temperatures, the power spectra in NREM sleep were very different at these two circadian phases. EEG activity in the low frequency spindle range was significantly and markedly enhanced after the evening increase in plasma melatonin as compared to the morning phase. For REM sleep, significant differences in power spectra during these two circadian phases, in particular in the alpha range, were also observed. The results confirm that EEG power spectra in NREM and REM sleep vary with circadian phase, suggesting that the direct contribution of temperature to the circadian variation in EEG power spectra is absent or only minor, and are at variance with the hypothesis that circadian variations in EEG power spectra are caused by variations in temperature.

Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine.

PubMed

Jayavarthanan, T; Sundaraganesan, N; Karabacak, M; Cinar, M; Kurt, M

2012-11-01

The solid phase FTIR and FT-Raman spectra of 2-amino-4-chloro-6-methylpyrimidine (2A4Cl6MP) have been recorded in the regions 400-4000 and 50-4,000 cm(-1), respectively. The spectra have been interpreted interms of fundamentals modes, combination and overtone bands. The structure of the molecule has been optimized and the structural characteristics have been determined by density functional theory (B3LYP) method with 6-311++G(d,p) as basis set. The vibrational frequencies were calculated and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. The infrared and Raman spectra have also been predicted from the calculated intensities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-Vis spectrum of the compound was recorded in the region 200-400 nm and the electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Nonlinear optical and thermodynamic properties were interpreted. All the calculated results were compared with the available experimental data of the title molecule. Copyright © 2012 Elsevier B.V. All rights reserved.

Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.

PubMed

Krishnakumar, V; Prabavathi, N

2009-09-15

This work deals with the vibrational spectroscopy of p-hydroxyanisole (PHA) and p-nitroanisole (PNA) by means of quantum chemical calculations. The mid and far FT-IR and FT-Raman spectra were recorded in the condensed state. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-31G* method and basis set combination and were scaled using various scale factors which yield a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled density functional force field. The results of the calculations were applied to simulate infrared and Raman spectra of the title compounds, which showed excellent agreement with the observed spectra.

Reconstruction of full high-resolution HSQC using signal split in aliased spectra.

PubMed

Foroozandeh, Mohammadali; Jeannerat, Damien

2015-11-01

Resolution enhancement is a long-sought goal in NMR spectroscopy. In conventional multidimensional NMR experiments, such as the (1) H-(13) C HSQC, the resolution in the indirect dimensions is typically 100 times lower as in 1D spectra because it is limited by the experimental time. Reducing the spectral window can significantly increase the resolution but at the cost of ambiguities in frequencies as a result of spectral aliasing. Fortunately, this information is not completely lost and can be retrieved using methods in which chemical shifts are encoded in the aliased spectra and decoded after processing to reconstruct high-resolution (1) H-(13) C HSQC spectrum with full spectral width and a resolution similar to that of 1D spectra. We applied a new reconstruction method, RHUMBA (reconstruction of high-resolution using multiplet built on aliased spectra), to spectra obtained from the differential evolution for non-ambiguous aliasing-HSQC and the new AMNA (additional modulation for non-ambiguous aliasing)-HSQC experiments. The reconstructed spectra significantly facilitate both manual and automated spectral analyses and structure elucidation based on heteronuclear 2D experiments. The resolution is enhanced by two orders of magnitudes without the usual complications due to spectral aliasing. Copyright © 2015 John Wiley & Sons, Ltd.

Measurement of CIB power spectra over large sky areas from Planck HFI maps

NASA Astrophysics Data System (ADS)

Mak, Daisy Suet Ying; Challinor, Anthony; Efstathiou, George; Lagache, Guilaine

2017-04-01

We present new measurements of the power spectra of the cosmic infrared background (CIB) anisotropies using the Planck 2015 full-mission High frequency instrument data at 353, 545 and 857 GHz over 20 000 deg2. We use techniques similar to those applied for the cosmological analysis of Planck, subtracting dust emission at the power spectrum level. Our analysis gives stable solutions for the CIB power spectra with increasing sky coverage up to about 50 per cent of the sky. These spectra agree well with H I-cleaned spectra from Planck measured on much smaller areas of sky with low Galactic dust emission. At 545 and 857 GHz, our CIB spectra agree well with those measured from Herschel data. We find that the CIB spectra at ℓ ≳ 500 are well fitted by a power-law model for the clustered CIB, with a shallow index γcib = 0.53 ± 0.02. This is consistent with the CIB results at 217 GHz from the cosmological parameter analysis of Planck. We show that a linear combination of the 545 and 857 GHz Planck maps is dominated by the CIB fluctuations at multipoles ℓ ≳ 300.

Frequency domain system identification methods - Matrix fraction description approach

NASA Technical Reports Server (NTRS)

Horta, Luca G.; Juang, Jer-Nan

1993-01-01

This paper presents the use of matrix fraction descriptions for least-squares curve fitting of the frequency spectra to compute two matrix polynomials. The matrix polynomials are intermediate step to obtain a linearized representation of the experimental transfer function. Two approaches are presented: first, the matrix polynomials are identified using an estimated transfer function; second, the matrix polynomials are identified directly from the cross/auto spectra of the input and output signals. A set of Markov parameters are computed from the polynomials and subsequently realization theory is used to recover a minimum order state space model. Unevenly spaced frequency response functions may be used. Results from a simple numerical example and an experiment are discussed to highlight some of the important aspect of the algorithm.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Temperature Dependence of Brillouin Light Scattering Spectra of Acoustic Phonons in Silicon

NASA Astrophysics Data System (ADS)

Somerville, Kevin; Klimovich, Nikita; An, Kyongmo; Sullivan, Sean; Weathers, Annie; Shi, Li; Li, Xiaoqin

2015-03-01

Thermal management represents an outstanding challenge in many areas of technology. Electrons, optical phonons, and acoustic phonons are often driven out of local equilibrium in electronic devices or during laser-material interaction processes. Interest in non-equilibrium transport processes has motivated the development of Raman spectroscopy as a local temperature sensor of optical phonons and intermediate frequency acoustic phonons, whereas Brillouin light scattering (BLS) has recently been explored as a temperature sensor of low-frequency acoustic phonons. Here, we report temperature dependent BLS spectra of silicon, with Raman spectra taken simultaneously for comparison. The origins of the observed temperature dependence of the BLS peak position, linewidth, and intensity are examined in order to evaluate their potential use as temperature sensors for acoustic phonons. We determine that the integrated BLS intensity can be used measure the temperature of specific acoustic phonon modes. This work is supported by National Science Foundation (NSF) Thermal Transport Processes Program under Grant CBET-1336968.

Hemoglobin spectra affect measurement of tissue oxygen saturation

NASA Astrophysics Data System (ADS)

Ostojic, Daniel; Kleiser, Stefan; Nasseri, Nassim; Isler, Helene; Scholkmann, Felix; Karen, Tanja; Wolf, Martin

2018-02-01

Tissue oxygen saturation (StO2) is a valuable clinical parameter e.g. for intensive care applications or monitoring during surgery. Studies showed that near-infrared spectroscopy (NIRS) based tissue oximeters of different brands give systematically different readings of StO2. Usually these readings are linearly correlated and therefore StO2 readings from one instrument can easily be converted to those of another instrument. However, it is interesting to understand why there is this difference. One reason may be that different brands employ different spectra of hemoglobin. The aim here was to investigate how these different absorption spectra of hemoglobin affect the StO2 readings. Therefore, we performed changes in StO2 in a phantom experiment with real human hemoglobin at three different concentrations (26.5, 45 and 70 μM): desaturation by yeast consuming the oxygen and re-saturation by bubbling oxygen gas. The partial pressure of O2 in the liquid changed from at least 10 kPa to 0 kPa and ISS OxiplexTS, a frequency-domain NIRS instrument, was used to monitor changes of StO2. When we employed two different absorption spectra for hemoglobin, StO2 values were comparable in the normal physiological range. However, particularly at high and low StO2 values, a difference of >6% between these two spectra were noticed. Such a difference of >6% is substantial and relevant for medical applications. This may partly explain why different brands of NIRS instruments provide different StO2 readings. The hemoglobin spectra are therefore a factor to be considered for future developments and applications of NIRS oximeters.

Electromagnetic perturbations of black holes in general relativity coupled to nonlinear electrodynamics

NASA Astrophysics Data System (ADS)

Toshmatov, Bobir; Stuchlík, Zdeněk; Schee, Jan; Ahmedov, Bobomurat

2018-04-01

The electromagnetic (EM) perturbations of the black hole solutions in general relativity coupled to nonlinear electrodynamics (NED) are studied for both electrically and magnetically charged black holes, assuming that the EM perturbations do not alter the spacetime geometry. It is shown that the effective potentials of the electrically and magnetically charged black holes related to test perturbative NED EM fields are related to the effective metric governing the photon motion, contrary to the effective potential of the linear electrodynamic (Maxwell) field that is related to the spacetime metric. Consequently, corresponding quasinormal (QN) frequencies differ as well. As a special case, we study new family of the NED black hole solutions which tend in the weak field limit to the Maxwell field, giving the Reissner-Nordström (RN) black hole solution. We compare the NED Maxwellian black hole QN spectra with the RN black hole QN spectra.

Theoretical modeling of infrared spectra of aspirin and its deuterated derivative

NASA Astrophysics Data System (ADS)

Boczar, Marek; Wójcik, Marek J.; Szczeponek, Krzysztof; Jamróz, Dorota; Zi e̡ba, Adam; Kawałek, Bożena

2003-01-01

Theoretical simulation of the νs stretching band is presented for aspirin (acetylsalicylic acid) and its OD derivative at 300 and 77 K. The simulation takes into account an adiabatic coupling between the high-frequency O-H(D) stretching and the low-frequency intermolecular O⋯O stretching modes, linear and quadratic distortions of the potential energy for the low-frequency vibrations in the excited state of the O-H(D) stretching vibration, resonance interaction between two hydrogen bonds in the dimer, and Fermi resonance between the O-H(D) stretching and the overtone of the O-H(D) bending vibrations. The effect of deuteration and the temperature has been successfully reproduced by our model calculations. Infrared, far-infrared, Raman and low-frequency Raman spectra of the polycrystalline aspirin have been measured. The geometry and experimental frequencies are compared with the results of our B3LYP/6-31++G** calculations.

Vibrational spectra and structure of some penicillin derivatives. Part III. Amphicillin and carboxybenzylpenicillin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dziegielewski, J.; Hanuza, J.; Jezowska-Trzebiatowska, B.

IR spectra of sodium salts and acids of amphicillin and carboxybenzlpenicillin were investigated in the solid state over the 100-200 cm/ sup -1/ region. Interpretation of the spectra and band assignments was made on the basis of both frequency shifts caused by deuteration and the information on penicillin-like antibiotics from previous studies. The molecular configuration of such a type of antibiotics was suggested, based on the position of characteristic amide and carbonyl bands. Lactam-thiazolidine skeleton vibrations are identified and located. The information obtained will be used in studies on ir spectra of the gamma radiolysis products resulting from lactam-thiazolidine antibioticsmore » to define the radiolysis products and the mechanism of decomposition. (auth)« less

Photochemical hole-burned spectra of protonated and deuterated reaction centers of Rhodobacter sphaeroides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyle, P.A.; Kolaczkowski, S.V.; Small, G.J.

1993-07-01

Photochemical hole-burned spectra with improved signal-to-noise ratio ([times]20) are reported for the protonated and deuterated reaction center of the purple bacterium Rhodobacter sphaeroides. Spectra obtained as a function of burn frequency ([omega][sub B]) establish that the lifetime of P870*, the primary electron-donor state, is invariant to location of [omega][sub B] within the inhomogeneous distribution of P870 zero-phonon line transition frequencies. For both the protonated and deuterated RC, which exhibit P870 absorption widths at 4.2 K of only 440 and 420 cm[sup [minus]1], the zero-phonon holes yield a lifetime of 0.93 [+-] 0.10 ps. This lifetime is independent of temperature betweenmore » 1.6 and 8.0 K (range over which the zero-phonon hole could be studied). The invariance of the P870* lifetime to [omega][sub B] and other data indicates that the nonexponential decay of P870* (Vos et al. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 8885) is due neither to a distribution of values from the electronic coupling matrix element associated with electron transfer, which one might expect from the normal glasslike structural heterogeneity of the RC, nor to gross heterogeneity. The higher quality of the hole spectra has allowed for more stringent testing of the theoretical model previously used to simulate the P870 hole profiles and absorption spectrum. Although the essential findings reported earlier (see, e.g., Reddy et al. Photosyn. Res. 1992, 31, 167) are not altered, it is concluded that the modeling of the distribution of low-frequency phonons (mean frequency approximately 30 cm[sup [minus]1]), which couples to P870*, in terms of a Debye distribution is inadequate. The anomalous low-frequency modes of glasses and polymers are suggested to be important also for proteins. 60 refs., 8 figs., 2 tabs.« less

Infrared absorption spectra of metal carbides, nitrides and sulfides

NASA Technical Reports Server (NTRS)

Kammori, O.; Sato, K.; Kurosawa, F.

1981-01-01

The infrared absorption spectra of 12 kinds of metal carbides, 11 kinds of nitrides, and 7 kinds of sulfides, a total of 30 materials, were measured and the application of the infrared spectra of these materials to analytical chemistry was discussed. The measurements were done in the frequency (wave length) range of (1400 to 400/cm (7 to 25 mu). The carbides Al4C3, B4C, the nitrides AlN, BN, Si3N4, WB, and the sulfides Al2S3, FeS2, MnS, NiS and PbS were noted to have specific absorptions in the measured region. The sensitivity of Boron nitride was especially good and could be detected at 2 to 3 micrograms in 300 mg of potassium bromide.

Chandra Observations of Associates of η Carinae. II. Spectra

NASA Astrophysics Data System (ADS)

Evans, Nancy Remage; Schlegel, Eric M.; Waldron, Wayne L.; Seward, Frederick D.; Krauss, Miriam I.; Nichols, Joy; Wolk, Scott J.

2004-09-01

The low-resolution X-ray spectra around η Car covering Trumpler 16 and part of Trumpler 14 have been extracted from a Chandra CCD ACIS image. Various analysis techniques have been applied to the spectra based on their count rates. The spectra with the greatest number of counts (HD 93162 = WR 25, HD 93129 AB, and HD 93250) have been fitted with a wind model, which uses several components with different temperatures and depths in the wind. Weaker spectra have been fitted with Raymond-Smith models. The weakest spectra are simply intercompared with strong spectra. In general, fits produce reasonable parameters based on knowledge of the extinction from optical studies and on the range of temperatures for high- and low-mass stars. Direct comparisons of spectra confirm the consistency of the fitting results and also hardness ratios for cases of unusually large extinction in the clusters. The spectra of the low-mass stars are harder than the more massive stars. Stars in the sequence evolving from the main sequence (HD 93250) through the system containing the O supergiant (HD 93129 AB) and then through the Wolf-Rayet stage (HD 93162), presumably ending in the extreme example of η Car, share the property of being unusually luminous and hard in X-rays. For these X-ray-luminous stars, their high mass and evolutionary status (from the very last stages of the main sequence and beyond) is the common feature. Their binary status is mixed, and their magnetic status is still uncertain. Based on observations made with the Chandra X-Ray Observatory.

Photonic band gap spectra in Octonacci metamaterial quasicrystals

NASA Astrophysics Data System (ADS)

Brandão, E. R.; Vasconcelos, M. S.; Albuquerque, E. L.; Fulco, U. L.

2017-02-01

In this work we study theoretically the photonic band gap spectra for a one-dimensional quasicrystal made up of SiO2 (layer A) and a metamaterial (layer B) organized following the Octonacci sequence, where its nth-stage Sn is given by the inflation rule Sn =Sn - 1Sn - 2Sn - 1 for n ≥ 3 , with initial conditions S1 = A and S2 = B . The metamaterial is characterized by a frequency dependent electric permittivity ε(ω) and magnetic permeability μ(ω) . The polariton dispersion relation is obtained analytically by employing a theoretical calculation based on a transfer-matrix approach. A quantitative analysis of the spectra is then discussed, stressing the distribution of the allowed photonic band widths for high generations of the Octonacci structure, which depict a self-similar scaling property behavior, with a power law depending on the common in-plane wavevector kx .

Gamma-ray Output Spectra from 239 Pu Fission

DOE PAGES

Ullmann, John

2015-05-25

The gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of 239Pu were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. We found that a dependence of the gamma-raymore » spectrum on the gamma-ray multplicity was also observed. Finally, global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution.« less

Rotational frequencies of transition metal hydrides for astrophysical searches in the far-infrared

NASA Technical Reports Server (NTRS)

Brown, John M.; Beaton, Stuart P.; Evenson, Kenneth M.

1993-01-01

Accurate frequencies for the lowest rotational transitions of five transition metal hydrides (CrH, FeH, CoH, NiH, and CuH) in their ground electronic states are reported to help the identification of these species in astrophysical sources from their far-infrared spectra. Accurate frequencies are determined in two ways: for CuH, by calculation from rotational constants determined from higher J transitions with an accuracy of 190 kHz; for the other species, by extrapolation to zero magnetic field from laser magnetic resonance spectra with an accuracy of 0.7 MHz.

Absorption and resonance Raman spectra of Pb2, Pb3, and Pb4 in xenon matrices

NASA Technical Reports Server (NTRS)

Stranz, D. D.; Khanna, R. K.

1981-01-01

Matrix isolation techniques are used to investigate the spectra of lead molecules and, in particular, to obtain resonance Raman spectra of lead vapors isolated in solid xenon matrices. The presence of Pb2 is confirmed by the visible adsorption, and Raman spectra yield a vibrational frequency for the ground state of 108 per cm and a dissociation energy of 8200 per cm. A second resonance Raman progression indicates a Pb3 species of D3h symmetry. Finally, two additional Raman features at approximately 111 per cm spacing are evidence for a third species, tentatively identified as Pb4.

Frequency weighting for vibration-induced white finger compatible with exposure-response models.

PubMed

Brammer, Anthony J; Pitts, Paul M

2012-01-01

An analysis has been performed to derive a frequency weighting for the development of vibration-induced white finger (VWF). It employs a model to compare health risks for pairs of population groups that are selected to have similar health outcomes from operating power tools or machines with markedly different acceleration spectra (rock drills, chain saws, pavement breakers and motorcycles). The model defines the Relative Risk, RR(f(trial)), which is constructed from the ratio of daily exposures and includes a trial frequency weighting that is applied to the acceleration spectra. The trial frequency weighting consists of a frequency-independent primary frequency range, and subordinate frequency ranges in which the response to vibration diminishes, with cut-off frequencies that are changed to influence the magnitude of RR(f(trial)). The frequency weighting so derived when RR(f(trial)) = 1 is similar to those obtained by other methods (W(hf), W(hT)). It consists of a frequency independent range from about 25 Hz to 500 Hz (-3 dB frequencies), with an amplitude cut-off rate of 12 dB/octave below 25 Hz and above 500 Hz. The range is compatible with studies of vasoconstriction in persons with VWF. The results provide further evidence that the ISO frequency weighting may be inappropriate for assessing the risk of developing VWF.

Frequency-locked chaotic opto-RF oscillator.

PubMed

Thorette, Aurélien; Romanelli, Marco; Brunel, Marc; Vallet, Marc

2016-06-15

A driven opto-RF oscillator, consisting of a dual-frequency laser (DFL) submitted to frequency-shifted feedback, is experimentally and numerically studied in a chaotic regime. Precise control of the reinjection strength and detuning permits isolation of a parameter region of bounded-phase chaos, where the opto-RF oscillator is frequency-locked to the master oscillator, in spite of chaotic phase and intensity oscillations. Robust experimental evidence of this synchronization regime is found, and phase noise spectra allow us to compare phase-locking and bounded-phase chaos regimes. In particular, it is found that the long-term phase stability of the master oscillator is well transferred to the opto-RF oscillator, even in the chaotic regime.

Tumor-specific frequencies and ocular melanoma.

PubMed

Milham, Samuel; Stetzer, David

2017-01-01

Specific kilohertz frequencies in the environment from variable frequency drives on electric motors at a liquid natural gas compressor and storage station on a natural gas pipeline seem to be associated with the development of a very rare cancer, ocular melanoma, at a high school and in individuals living or working in a neighborhood near the plant. Primary neutral-to-earth oscilloscope voltage waveforms and spectra measured near the high school were nearly identical to the ground voltage 2.3 miles away at the gas pipeline. Peak frequencies of 7440 and 19,980 Hz were found at both places. The electric utility practice of using the earth as a conduit for return currents facilitated this exposure.

Offset frequency dynamics and phase noise properties of a self-referenced 10 GHz Ti:sapphire frequency comb.

PubMed

Heinecke, Dirk C; Bartels, Albrecht; Diddams, Scott A

2011-09-12

This paper shows the experimental details of the stabilization scheme that allows full control of the repetition rate and the carrier-envelope offset frequency of a 10 GHz frequency comb based on a femtosecond Ti:sapphire laser. Octave-spanning spectra are produced in nonlinear microstructured optical fiber, in spite of the reduced peak power associated with the 10 GHz repetition rate. Improved stability of the broadened spectrum is obtained by temperature-stabilization of the nonlinear optical fiber. The carrier-envelope offset frequency and the repetition rate are simultaneously frequency stabilized, and their short- and long-term stabilities are characterized. We also measure the transfer of amplitude noise of the pump source to phase noise on the offset frequency and verify an increased sensitivity of the offset frequency to pump power modulation compared to systems with lower repetition rate. Finally, we discuss merits of this 10 GHz system for the generation of low-phase-noise microwaves from the photodetected pulse train.

Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ringholm, Magnus; Ruud, Kenneth; Bast, Radovan

We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields,more » reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.« less

A frequency-domain approach to improve ANNs generalization quality via proper initialization.

PubMed

Chaari, Majdi; Fekih, Afef; Seibi, Abdennour C; Hmida, Jalel Ben

2018-08-01

The ability to train a network without memorizing the input/output data, thereby allowing a good predictive performance when applied to unseen data, is paramount in ANN applications. In this paper, we propose a frequency-domain approach to evaluate the network initialization in terms of quality of training, i.e., generalization capabilities. As an alternative to the conventional time-domain methods, the proposed approach eliminates the approximate nature of network validation using an excess of unseen data. The benefits of the proposed approach are demonstrated using two numerical examples, where two trained networks performed similarly on the training and the validation data sets, yet they revealed a significant difference in prediction accuracy when tested using a different data set. This observation is of utmost importance in modeling applications requiring a high degree of accuracy. The efficiency of the proposed approach is further demonstrated on a real-world problem, where unlike other initialization methods, a more conclusive assessment of generalization is achieved. On the practical front, subtle methodological and implementational facets are addressed to ensure reproducibility and pinpoint the limitations of the proposed approach. Copyright © 2018 Elsevier Ltd. All rights reserved.

Anatomical background and generalized detectability in tomosynthesis and cone-beam CT.

PubMed

Gang, G J; Tward, D J; Lee, J; Siewerdsen, J H

2010-05-01

Anatomical background presents a major impediment to detectability in 2D radiography as well as 3D tomosynthesis and cone-beam CT (CBCT). This article incorporates theoretical and experimental analysis of anatomical background "noise" in cascaded systems analysis of 2D and 3D imaging performance to yield "generalized" metrics of noise-equivalent quanta (NEQ) and detectability index as a function of the orbital extent of the (circular arc) source-detector orbit. A physical phantom was designed based on principles of fractal self-similarity to exhibit power-law spectral density (kappa/Fbeta) comparable to various anatomical sites (e.g., breast and lung). Background power spectra [S(B)(F)] were computed as a function of source-detector orbital extent, including tomosynthesis (approximately 10 degrees -180 degrees) and CBCT (180 degrees + fan to 360 degrees) under two acquisition schemes: (1) Constant angular separation between projections (variable dose) and (2) constant total number of projections (constant dose). The resulting S(B) was incorporated in the generalized NEQ, and detectability index was computed from 3D cascaded systems analysis for a variety of imaging tasks. The phantom yielded power-law spectra within the expected spatial frequency range, quantifying the dependence of clutter magnitude (kappa) and correlation (beta) with increasing tomosynthesis angle. Incorporation of S(B) in the 3D NEQ provided a useful framework for analyzing the tradeoffs among anatomical, quantum, and electronic noise with dose and orbital extent. Distinct implications are posed for breast and chest tomosynthesis imaging system design-applications varying significantly in kappa and beta, and imaging task and, therefore, in optimal selection of orbital extent, number of projections, and dose. For example, low-frequency tasks (e.g., soft-tissue masses or nodules) tend to benefit from larger orbital extent and more fully 3D tomographic imaging, whereas high-frequency tasks (e

Quantitative analysis of Earth's field NMR spectra of strongly-coupled heteronuclear systems.

PubMed

Halse, Meghan E; Callaghan, Paul T; Feland, Brett C; Wasylishen, Roderick E

2009-09-01

In the Earth's magnetic field, it is possible to observe spin systems consisting of unlike spins that exhibit strongly coupled second-order NMR spectra. Such spectra result when the J-coupling between two unlike spins is of the same order of magnitude as the difference in their Larmor precession frequencies. Although the analysis of second-order spectra involving only spin-(1/2) nuclei has been discussed since the early days of NMR spectroscopy, NMR spectra involving spin-(1/2) nuclei and quadrupolar (I>(1/2)) nuclei have rarely been treated. Two examples are presented here, the tetrahydroborate anion, BH4-, and the ammonium cation, NH4+. For the tetrahydroborate anion, (1)J((11)B,(1)H)=80.9Hz, and in an Earth's field of 53.3microT, nu((1)H)=2269Hz and nu((11)B)=728Hz. The (1)H NMR spectra exhibit features that both first- and second-order perturbation theory are unable to reproduce. On the other hand, second-order perturbation theory adequately describes (1)H NMR spectra of the ammonium anion, (14)NH4+, where (1)J((14)N,(1)H)=52.75Hz when nu((1)H)=2269Hz and nu((14)N)=164Hz. Contrary to an early report, we find that the (1)H NMR spectra are independent of the sign of (1)J((14)N,(1)H). Exact analysis of two-spin systems consisting of quadrupolar nuclei and spin-(1/2) nuclei are also discussed.

Low to high frequency ratio of heart rate variability spectra fails to describe sympatho-vagal balance in cardiac patients.

PubMed

Milicević, Goran

2005-06-01

Heart rate variability (HRV) reflects an influence of autonomic nervous system on heart work. In healthy subjects, ratio between low and high frequency components (LF/HF ratio) of HRV spectra represents a measure of sympatho-vagal balance. The ratio was defined by the authorities as an useful clinical tool, but it seems that it fails to summarise sympatho-vagal balance in a clinical setting. Value of the method was re-evaluated in several categories of cardiac patients. HRV was analysed from 24-hour Holter ECGs in 132 healthy subjects, and 2159 cardiac patients dichotomised by gender, median of age, diagnosis of myocardial infarction or coronary artery surgery, left ventricular systolic function and divided by overall HRV into several categories. In healthy subjects, LF/HF ratio correlated with overall HRV negatively, as expected. The paradoxical finding was obtained in cardiac patients; the lower the overall HRV and the time-domain indices of vagal modulation activity were the lower the LF/HF ratio was. If used as a measure of sympatho-vagal balance, long-term recordings of LF/HF ratio contradict to clinical finding and time-domain HRV indices in cardiac patients. The ratio cannot therefore be used as a reliable marker of autonomic activity in a clinical setting.

DUO: Spectra of diatomic molecules

NASA Astrophysics Data System (ADS)

Yurchenko, Sergei N.; Lodi, Lorenzo; Tennyson, Jonathan; Stolyarov, Andrey V.

2016-05-01

Duo computes rotational, rovibrational and rovibronic spectra of diatomic molecules. The software, written in Fortran 2003, solves the Schrödinger equation for the motion of the nuclei for the simple case of uncoupled, isolated electronic states and also for the general case of an arbitrary number and type of couplings between electronic states. Possible couplings include spin-orbit, angular momenta, spin-rotational and spin-spin. Introducing the relevant couplings using so-called Born-Oppenheimer breakdown curves can correct non-adiabatic effects.

Mid-infrared spectra of comet nuclei

NASA Astrophysics Data System (ADS)

Kelley, Michael S. P.; Woodward, Charles E.; Gehrz, Robert D.; Reach, William T.; Harker, David E.

2017-03-01

Comet nuclei and D-type asteroids have several similarities at optical and near-IR wavelengths, including near-featureless red reflectance spectra, and low albedos. Mineral identifications based on these characteristics are fraught with degeneracies, although some general trends can be identified. In contrast, spectral emissivity features in the mid-infrared provide important compositional information that might not otherwise be achievable. Jovian Trojan D-type asteroids have emissivity features strikingly similar to comet comae, suggesting that they have the same compositions and that the surfaces of the Trojans are highly porous. However, a direct comparison between a comet and asteroid surface has not been possible due to the paucity of spectra of comet nuclei at mid-infrared wavelengths. We present 5-35 μm thermal emission spectra of comets 10P/Tempel 2, and 49P/Arend-Rigaux observed with the Infrared Spectrograph on the Spitzer Space Telescope. Our analysis reveals no evidence for a coma or tail at the time of observation, suggesting the spectra are dominated by the comet nucleus. We fit each spectrum with the near-Earth asteroid thermal model (NEATM) and find sizes in agreement with previous values. However, the NEATM beaming parameters of the nuclei, 0.74-0.83, are systematically lower than the Jupiter-family comet population mean of 1.03 ± 0.11, derived from 16- and 22-μm photometry. We suggest this may be either an artifact of the spectral reduction, or the consequence of an emissivity low near 16 μm. When the spectra are normalized by the NEATM model, a weak 10-μm silicate plateau is evident, with a shape similar to those seen in mid-infrared spectra of D-type asteroids. A silicate plateau is also evident in previously published Spitzer spectra of the nucleus of comet 9P/Tempel 1. We compare, in detail, these comet nucleus emission features to those seen in spectra of the Jovian Trojan D-types (624) Hektor, (911) Agamemnon, and (1172) Aneas, as well

High-resolution emission spectra of pulsed terahertz quantum-cascade lasers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ikonnikov, A. V., E-mail: antikon@ipm.sci-nnov.ru; Antonov, A. V.; Lastovkin, A. A.

The spectra of pulsed terahertz quantum-cascade lasers were measured with high spectral resolution. The characteristic line width at half maximum was 0.01 cm{sup -1}; it is controlled by laser temperature variations during the supply voltage pulse. It was shown that an increase in the laser temperature leads to a decrease in the emission frequency, which is caused by an increase in the effective refractive index of the active region. It was also found that a decrease in the supply voltage results in a decrease in the emission frequency, which is caused by a change in the energy of diagonal transitionsmore » between lasing levels.« less

Radiation Belt Electron Energy Spectra Characterization and Evolution Based on the Van Allen Probes Measurements

NASA Astrophysics Data System (ADS)

Zhao, H.; Baker, D. N.; Jaynes, A. N.; Li, X.; Kanekal, S. G.; Blum, L. W.; Schiller, Q. A.; Leonard, T. W.; Elkington, S. R.

2017-12-01

The electron energy spectra, as an important characteristic of radiation belt electrons, provide valuable information on the physical mechanisms affecting different electron populations. Based on the measurements of 30 keV - 10 MeV electrons from MagEIS and REPT instruments on the Van Allen Probes, case studies and statistical analysis of the radiation belt electron energy spectra characterization and evolution have been performed. Generally the radiation belt electron energy spectra can be represented by one of the three types of distributions: exponential, power law, and bump-on-tail. Statistical analysis shows that the exponential spectra are usually dominant in the outer radiation belt; as the geomagnetic storms occur, energy spectra in the outer belt soften at first due to injection of lower-energy electrons and loss of higher-energy electrons, and gradually get harder due to loss of lower-energy electrons and delayed enhancement of higher energy electron fluxes. Power law spectra generally dominate the inner belt and higher L region (L>6) during injections. Bump-on-tail spectra commonly exist inside the plasmasphere following the geomagnetic storms and/or the compression of plasmasphere, while the energy of flux maxima is usually 1.8 MeV as the bump-on-tail spectra form and gradually moves to higher energies as the spectra evolve, with the ratio of flux maxima to minima up to >10. Detailed event study indicates that the appearance of bump-on-tail spectra are mainly due to energy-dependent losses caused by the plasmaspheric hiss wave scattering, while the disappearance of these spectra can be attributed to fast flux enhancements of lower-energy electrons during storms.

Towards a full reference library of MS(n) spectra. Testing of a library containing 3126 MS2 spectra of 1743 compounds.

PubMed

Milman, Boris L

2005-01-01

A library consisting of 3766 MS(n) spectra of 1743 compounds, including 3126 MS2 spectra acquired mainly using ion trap (IT) and triple-quadrupole (QqQ) instruments, was composed of numerous collections/sources. Ionization techniques were mainly electrospray ionization and also atmospheric pressure chemical ionization and chemical ionization. The library was tested for the performance in identification of unknowns, and in this context this work is believed to be the largest of all known tests of product-ion mass spectral libraries. The MS2 spectra of the same compounds from different collections were in turn divided into spectra of 'unknown' and reference compounds. For each particular compound, library searches were performed resulting in selection by taking into account the best matches for each spectral collection/source. Within each collection/source, replicate MS2 spectra differed in the collision energy used. Overall, there were up to 950 search results giving the best match factors and their ranks in corresponding hit lists. In general, the correct answers were obtained as the 1st rank in up to 60% of the search results when retrieved with (on average) 2.2 'unknown' and 6.2 reference replicates per compound. With two or more replicates of both 'unknown' and reference spectra (the average numbers of replicates were 4.0 and 7.8, respectively), the fraction of correct answers in the 1st rank increased to 77%. This value is close to the performance of established electron ionization mass spectra libraries (up to 79%) found by other workers. The hypothesis that MS2 spectra better match reference spectra acquired using the same type of tandem mass spectrometer (IT or QqQ) was neither strongly proved nor rejected here. The present work shows that MS2 spectral libraries containing sufficiently numerous different entries for each compound are sufficiently efficient for identification of unknowns and suitable for use with different tandem mass spectrometers. 2005 John

Theoretical research and experimental validation of elastic dynamic load spectra on bogie frame of high-speed train

NASA Astrophysics Data System (ADS)

Zhu, Ning; Sun, Shouguang; Li, Qiang; Zou, Hua

2016-05-01

When a train runs at high speeds, the external exciting frequencies approach the natural frequencies of bogie critical components, thereby inducing strong elastic vibrations. The present international reliability test evaluation standard and design criteria of bogie frames are all based on the quasi-static deformation hypothesis. Structural fatigue damage generated by structural elastic vibrations has not yet been included. In this paper, theoretical research and experimental validation are done on elastic dynamic load spectra on bogie frame of high-speed train. The construction of the load series that correspond to elastic dynamic deformation modes is studied. The simplified form of the load series is obtained. A theory of simplified dynamic load-time histories is then deduced. Measured data from the Beijing-Shanghai Dedicated Passenger Line are introduced to derive the simplified dynamic load-time histories. The simplified dynamic discrete load spectra of bogie frame are established. Based on the damage consistency criterion and a genetic algorithm, damage consistency calibration of the simplified dynamic load spectra is finally performed. The computed result proves that the simplified load series is reasonable. The calibrated damage that corresponds to the elastic dynamic discrete load spectra can cover the actual damage at the operating conditions. The calibrated damage satisfies the safety requirement of damage consistency criterion for bogie frame. This research is helpful for investigating the standardized load spectra of bogie frame of high-speed train.

The mid-infrared transmission spectra of Antarctic ureilites

NASA Technical Reports Server (NTRS)

Sandford, Scott A.

1993-01-01

The mid-IR (4000-450/cm; 2.5-22.2 microns) transmission spectra of seven Antarctic ureilites and 10 Antarctic H-5 ordinary chondrites are presented. The ureilite spectra show a number of absorption bands, the strongest of which is a wide, complex feature centered near 1000/cm (10 microns) due to Si-O stretching vibrations in silicates. The profiles and positions of the substructure in this feature indicate that Mg-rich olivines and pyroxenes are the main silicates responsible. The relative abundances of these two minerals, as inferred from the spectra, show substantial variation from meteorite to meteorite, but generally indicate olivine is the most abundant (olivine:pyroxene = 60:40 to 95:5). Both the predominance of olivine and the variable olivine-to-pyroxene ratio are consistent with the known composition and heterogeneity of ureilites. The H-5 ordinary chondrites spanned a range of weathering classes and were used to provide a means of addressing the extent to which the ureilite spectra may have been altered by weathering processes. It was found that, while weathering of these meteorites produces some weak bands due to the formation of small amounts of carbonates and hydrates, the profile of the main silicate feature has been little affected by Antarctic exposure in the meteorites studied here. The mid-IR ureilite spectra provide an additional means of testing potential asteroidal parent bodies for the ureilites.

Analysis of spatial and temporal spectra of liquid film surface in annular gas-liquid flow

NASA Astrophysics Data System (ADS)

Alekseenko, Sergey; Cherdantsev, Andrey; Heinz, Oksana; Kharlamov, Sergey; Markovich, Dmitriy

2013-09-01

Wavy structure of liquid film in annular gas-liquid flow without liquid entrainment consists of fast long-living primary waves and slow short-living secondary waves. In present paper, results of spectral analysis of this wavy structure are presented. Application of high-speed LIF technique allowed us to perform such analysis in both spatial and temporal domains. Power spectra in both domains are characterized by one-humped shape with long exponential tail. Influence of gas velocity, liquid Reynolds number, liquid viscosity and pipe diameter on frequency of the waves is investigated. When gravity effect is much lesser than the shear stress, similarity of power spectra at different gas velocities is observed. Using combination of spectral analysis and identification of characteristic lines of primary waves, frequency of generation of secondary waves by primary waves is measured.

Analysis of positron lifetime spectra in polymers

NASA Technical Reports Server (NTRS)

Singh, Jag J.; Mall, Gerald H.; Sprinkle, Danny R.

1988-01-01

A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

Combining optimization methods with response spectra curve-fitting toward improved damping ratio estimation

NASA Astrophysics Data System (ADS)

Brewick, Patrick T.; Smyth, Andrew W.

2016-12-01

The authors have previously shown that many traditional approaches to operational modal analysis (OMA) struggle to properly identify the modal damping ratios for bridges under traffic loading due to the interference caused by the driving frequencies of the traffic loads. This paper presents a novel methodology for modal parameter estimation in OMA that overcomes the problems presented by driving frequencies and significantly improves the damping estimates. This methodology is based on finding the power spectral density (PSD) of a given modal coordinate, and then dividing the modal PSD into separate regions, left- and right-side spectra. The modal coordinates were found using a blind source separation (BSS) algorithm and a curve-fitting technique was developed that uses optimization to find the modal parameters that best fit each side spectra of the PSD. Specifically, a pattern-search optimization method was combined with a clustering analysis algorithm and together they were employed in a series of stages in order to improve the estimates of the modal damping ratios. This method was used to estimate the damping ratios from a simulated bridge model subjected to moving traffic loads. The results of this method were compared to other established OMA methods, such as Frequency Domain Decomposition (FDD) and BSS methods, and they were found to be more accurate and more reliable, even for modes that had their PSDs distorted or altered by driving frequencies.

Quantitative Interpretation of Multifrequency Multimode EPR Spectra of Metal Containing Proteins, Enzymes, and Biomimetic Complexes.

PubMed

Petasis, Doros T; Hendrich, Michael P

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy has long been a primary method for characterization of paramagnetic centers in materials and biological complexes. Transition metals in biological complexes have valence d-orbitals that largely define the chemistry of the metal centers. EPR spectra are distinctive for metal type, oxidation state, protein environment, substrates, and inhibitors. The study of many metal centers in proteins, enzymes, and biomimetic complexes has led to the development of a systematic methodology for quantitative interpretation of EPR spectra from a wide array of metal containing complexes. The methodology is now contained in the computer program SpinCount. SpinCount allows simulation of EPR spectra from any sample containing multiple species composed of one or two metals in any spin state. The simulations are quantitative, thus allowing determination of all species concentrations in a sample directly from spectra. This chapter will focus on applications to transition metals in biological systems using EPR spectra from multiple microwave frequencies and modes. © 2015 Elsevier Inc. All rights reserved.

Theoretical prediction of the vibrational spectra of group IB trimers

PubMed Central

Richtsmeier, Steven C.; Gole, James L.; Dixon, David A.

1980-01-01

The molecular structures of the group IB trimers, Cu3, Ag3, and Au3, have been determined by using the semi-empirical diatomics-in-molecules theory. The trimers are found to have C2v symmetry with bond angles between 65° and 80°. The trimers are bound with respect to dissociation to the asymptotic limit of an atom plus a diatom. The binding energies per atom for Cu3, Ag3, and Au3 are 1.08, 0.75, and 1.16 eV, respectively. The vibrational frequencies of the trimers have been determined for comparison with experimental results. The vibrational frequencies are characterized by low values for the bending and asymmetric stretch modes. The frequency of the symmetric stretch of the trimer is higher than the stretching frequency of the corresponding diatomic. A detailed comparison of the theoretical results with the previously measured Raman spectra of matrix isolated Ag3 is presented. PMID:16592885

Frequency domain analysis of knock images

NASA Astrophysics Data System (ADS)

Qi, Yunliang; He, Xin; Wang, Zhi; Wang, Jianxin

2014-12-01

High speed imaging-based knock analysis has mainly focused on time domain information, e.g. the spark triggered flame speed, the time when end gas auto-ignition occurs and the end gas flame speed after auto-ignition. This study presents a frequency domain analysis on the knock images recorded using a high speed camera with direct photography in a rapid compression machine (RCM). To clearly visualize the pressure wave oscillation in the combustion chamber, the images were high-pass-filtered to extract the luminosity oscillation. The luminosity spectrum was then obtained by applying fast Fourier transform (FFT) to three basic colour components (red, green and blue) of the high-pass-filtered images. Compared to the pressure spectrum, the luminosity spectra better identify the resonant modes of pressure wave oscillation. More importantly, the resonant mode shapes can be clearly visualized by reconstructing the images based on the amplitudes of luminosity spectra at the corresponding resonant frequencies, which agree well with the analytical solutions for mode shapes of gas vibration in a cylindrical cavity.

Interior sound field control using generalized singular value decomposition in the frequency domain.

PubMed

Pasco, Yann; Gauthier, Philippe-Aubert; Berry, Alain; Moreau, Stéphane

2017-01-01

The problem of controlling a sound field inside a region surrounded by acoustic control sources is considered. Inspired by the Kirchhoff-Helmholtz integral, the use of double-layer source arrays allows such a control and avoids the modification of the external sound field by the control sources by the approximation of the sources as monopole and radial dipole transducers. However, the practical implementation of the Kirchhoff-Helmholtz integral in physical space leads to large numbers of control sources and error sensors along with excessive controller complexity in three dimensions. The present study investigates the potential of the Generalized Singular Value Decomposition (GSVD) to reduce the controller complexity and separate the effect of control sources on the interior and exterior sound fields, respectively. A proper truncation of the singular basis provided by the GSVD factorization is shown to lead to effective cancellation of the interior sound field at frequencies below the spatial Nyquist frequency of the control sources array while leaving the exterior sound field almost unchanged. Proofs of concept are provided through simulations achieved for interior problems by simulations in a free field scenario with circular arrays and in a reflective environment with square arrays.

Range compensation for backscattering measurements in the difference-frequency nearfield of a parametric sonar.

PubMed

Foote, Kenneth G

2012-05-01

Measurement of acoustic backscattering properties of targets requires removal of the range dependence of echoes. This process is called range compensation. For conventional sonars making measurements in the transducer farfield, the compensation removes effects of geometrical spreading and absorption. For parametric sonars consisting of a parametric acoustic transmitter and a conventional-sonar receiver, two additional range dependences require compensation when making measurements in the nonlinearly generated difference-frequency nearfield: an apparently increasing source level and a changing beamwidth. General expressions are derived for range compensation functions in the difference-frequency nearfield of parametric sonars. These are evaluated numerically for a parametric sonar whose difference-frequency band, effectively 1-6 kHz, is being used to observe Atlantic herring (Clupea harengus) in situ. Range compensation functions for this sonar are compared with corresponding functions for conventional sonars for the cases of single and multiple scatterers. Dependences of these range compensation functions on the parametric sonar transducer shape, size, acoustic power density, and hydrography are investigated. Parametric range compensation functions, when applied with calibration data, will enable difference-frequency echoes to be expressed in physical units of volume backscattering, and backscattering spectra, including fish-swimbladder-resonances, to be analyzed.

Spectra library assisted de novo peptide sequencing for HCD and ETD spectra pairs.

PubMed

Yan, Yan; Zhang, Kaizhong

2016-12-23

De novo peptide sequencing via tandem mass spectrometry (MS/MS) has been developed rapidly in recent years. With the use of spectra pairs from the same peptide under different fragmentation modes, performance of de novo sequencing is greatly improved. Currently, with large amount of spectra sequenced everyday, spectra libraries containing tens of thousands of annotated experimental MS/MS spectra become available. These libraries provide information of the spectra properties, thus have the potential to be used with de novo sequencing to improve its performance. In this study, an improved de novo sequencing method assisted with spectra library is proposed. It uses spectra libraries as training datasets and introduces significant scores of the features used in our previous de novo sequencing method for HCD and ETD spectra pairs. Two pairs of HCD and ETD spectral datasets were used to test the performance of the proposed method and our previous method. The results show that this proposed method achieves better sequencing accuracy with higher ranked correct sequences and less computational time. This paper proposed an advanced de novo sequencing method for HCD and ETD spectra pair and used information from spectra libraries and significant improved previous similar methods.

The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

NASA Astrophysics Data System (ADS)

Baryshnikov, G. V.; Minaeva, V. A.; Minaev, B. F.; Grigoras, M.

2018-01-01

We study the features of the electronic structure and the IR, UV, and visible spectra of a series of triphenylamines substituted with phenylethynyl groups. The analysis is performed at the level of the density functional theory (DFT) and its nonstationary version in comparison with the experimental data of IR and electron spectroscopy. It is shown that, in the excited state, there is a change in the alternation of single, double, and triple bonds in accordance with the character of bonding and antibonding in the lowest vacant molecular orbital. The gradual introduction of additional phenylethynyl groups does not cause frequency shifts in the IR spectra of the molecules under study, but significantly affects the intensity of the corresponding IR bands. A similar effect is also observed in the electronic-absorption spectra of these compounds. This can be used for optical tuning of triphenylamines as promising materials for organic light-emitting diodes and solar cells.

Equilibrium finite-frequency noise of an interacting mesoscopic capacitor studied in time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole

2018-03-01

We calculate the frequency-dependent equilibrium noise of a mesoscopic capacitor in time-dependent density functional theory (TDDFT). The capacitor is modeled as a single-level quantum dot with on-site Coulomb interaction and tunnel coupling to a nearby reservoir. The noise spectra are derived from linear-response conductances via the fluctuation-dissipation theorem. Thereby, we analyze the performance of a recently derived exchange-correlation potential with time-nonlocal density dependence in the finite-frequency linear-response regime. We compare our TDDFT noise spectra with real-time perturbation theory and find excellent agreement for noise frequencies below the reservoir temperature.

Distortion of the convolution spectra of PSK signals in frequency multipliers

NASA Astrophysics Data System (ADS)

Viniarskii, V. F.; Marchenko, V. F.; Petrin, Iu. M.

1983-09-01

The influence of the input and output circuits of frequency multipliers on the convolution spectrum of binary and ternary PSK signals is examined. It is shown that transient processes caused by the phase switching of the input signal lead to the amplitude-phase modulation of the harmonic signal. Experimental results are presented on the balance circuits of MOS varactor doublers and triplers.

Multispectral processing without spectra.

PubMed

Drew, Mark S; Finlayson, Graham D

2003-07-01

It is often the case that multiplications of whole spectra, component by component, must be carried out,for example when light reflects from or is transmitted through materials. This leads to particularly taxing calculations, especially in spectrally based ray tracing or radiosity in graphics, making a full-spectrum method prohibitively expensive. Nevertheless, using full spectra is attractive because of the many important phenomena that can be modeled only by using all the physics at hand. We apply to the task of spectral multiplication a method previously used in modeling RGB-based light propagation. We show that we can often multiply spectra without carrying out spectral multiplication. In previous work [J. Opt. Soc. Am. A 11, 1553 (1994)] we developed a method called spectral sharpening, which took camera RGBs to a special sharp basis that was designed to render illuminant change simple to model. Specifically, in the new basis, one can effectively model illuminant change by using a diagonal matrix rather than the 3 x 3 linear transform that results from a three-component finite-dimensional model [G. Healey and D. Slater, J. Opt. Soc. Am. A 11, 3003 (1994)]. We apply this idea of sharpening to the set of principal components vectors derived from a representative set of spectra that might reasonably be encountered in a given application. With respect to the sharp spectral basis, we show that spectral multiplications can be modeled as the multiplication of the basis coefficients. These new product coefficients applied to the sharp basis serve to accurately reconstruct the spectral product. Although the method is quite general, we show how to use spectral modeling by taking advantage of metameric surfaces, ones that match under one light but not another, for tasks such as volume rendering. The use of metamers allows a user to pick out or merge different volume structures in real time simply by changing the lighting.

Multispectral processing without spectra

NASA Astrophysics Data System (ADS)

Drew, Mark S.; Finlayson, Graham D.

2003-07-01

It is often the case that multiplications of whole spectra, component by component, must be carried out, for example when light reflects from or is transmitted through materials. This leads to particularly taxing calculations, especially in spectrally based ray tracing or radiosity in graphics, making a full-spectrum method prohibitively expensive. Nevertheless, using full spectra is attractive because of the many important phenomena that can be modeled only by using all the physics at hand. We apply to the task of spectral multiplication a method previously used in modeling RGB-based light propagation. We show that we can often multiply spectra without carrying out spectral multiplication. In previous work J. Opt. Soc. Am. A 11 , 1553 (1994) we developed a method called spectral sharpening, which took camera RGBs to a special sharp basis that was designed to render illuminant change simple to model. Specifically, in the new basis, one can effectively model illuminant change by using a diagonal matrix rather than the 33 linear transform that results from a three-component finite-dimensional model G. Healey and D. Slater, J. Opt. Soc. Am. A 11 , 3003 (1994). We apply this idea of sharpening to the set of principal components vectors derived from a representative set of spectra that might reasonably be encountered in a given application. With respect to the sharp spectral basis, we show that spectral multiplications can be modeled as the multiplication of the basis coefficients. These new product coefficients applied to the sharp basis serve to accurately reconstruct the spectral product. Although the method is quite general, we show how to use spectral modeling by taking advantage of metameric surfaces, ones that match under one light but not another, for tasks such as volume rendering. The use of metamers allows a user to pick out or merge different volume structures in real time simply by changing the lighting. 2003 Optical Society of America

Power Spectra, Power Law Exponents, and Anisotropy of Solar Wind Turbulence at Small Scales

NASA Technical Reports Server (NTRS)

Podesta, J. J.; Roberts, D. A.; Goldstein, M. L.

2006-01-01

The Wind spacecraft provides simultaneous solar wind velocity and magnetic field measurements with 3- second time resolution, roughly an order of magnitude faster than previous measurements, enabling the small scale features of solar wind turbulence to be studied in unprecedented detail. Almost the entire inertial range can now be explored (the inertial range extends from approximately 1 to 10(exp 3) seconds in the spacecraft frame) although the dissipation range of the velocity fluctuations is still out of reach. Improved measurements of solar wind turbulence spectra at 1 AU in the ecliptic plane are presented including spectra of the energy and cross-helicity, the magnetic and kinetic energies, the Alfven ratio, the normalized cross-helicity, and the Elsasser ratio. Some recent observations and theoretical challenges are discussed including the observation that the velocity and magnetic field spectra often show different power law exponents with values close to 3/2 and 5/3, respectively; the energy (kinetic plus magnetic) and cross-helicity often have approximately equal power law exponents with values intermediate between 3/2 and 5/3; and the Alfven ratio, the ratio of the kinetic to magnetic energy spectra, is often a slowly increasing function of frequency increasing from around 0.4 to 1 for frequencies in the inertial range. Differences between high- and low-speed wind are also discussed. Comparisons with phenomenological turbulence theories show that important aspects of the physics are yet unexplained.

Site-specific estimation of peak-streamflow frequency using generalized least-squares regression for natural basins in Texas

USGS Publications Warehouse

Asquith, William H.; Slade, R.M.

1999-01-01

The U.S. Geological Survey, in cooperation with the Texas Department of Transportation, has developed a computer program to estimate peak-streamflow frequency for ungaged sites in natural basins in Texas. Peak-streamflow frequency refers to the peak streamflows for recurrence intervals of 2, 5, 10, 25, 50, and 100 years. Peak-streamflow frequency estimates are needed by planners, managers, and design engineers for flood-plain management; for objective assessment of flood risk; for cost-effective design of roads and bridges; and also for the desin of culverts, dams, levees, and other flood-control structures. The program estimates peak-streamflow frequency using a site-specific approach and a multivariate generalized least-squares linear regression. A site-specific approach differs from a traditional regional regression approach by developing unique equations to estimate peak-streamflow frequency specifically for the ungaged site. The stations included in the regression are selected using an informal cluster analysis that compares the basin characteristics of the ungaged site to the basin characteristics of all the stations in the data base. The program provides several choices for selecting the stations. Selecting the stations using cluster analysis ensures that the stations included in the regression will have the most pertinent information about flooding characteristics of the ungaged site and therefore provide the basis for potentially improved peak-streamflow frequency estimation. An evaluation of the site-specific approach in estimating peak-streamflow frequency for gaged sites indicates that the site-specific approach is at least as accurate as a traditional regional regression approach.

Data reduction of isotope-resolved LC-MS spectra.

PubMed

Du, Peicheng; Sudha, Rajagopalan; Prystowsky, Michael B; Angeletti, Ruth Hogue

2007-06-01

Data reduction of liquid chromatography-mass spectrometry (LC-MS) spectra can be a challenge due to the inherent complexity of biological samples, noise and non-flat baseline. We present a new algorithm, LCMS-2D, for reliable data reduction of LC-MS proteomics data. LCMS-2D can reliably reduce LC-MS spectra with multiple scans to a list of elution peaks, and subsequently to a list of peptide masses. It is capable of noise removal, and deconvoluting peaks that overlap in m/z, in retention time, or both, by using a novel iterative peak-picking step, a 'rescue' step, and a modified variable selection method. LCMS-2D performs well with three sets of annotated LC-MS spectra, yielding results that are better than those from PepList, msInspect and the vendor software BioAnalyst. The software LCMS-2D is available under the GNU general public license from http://www.bioc.aecom.yu.edu/labs/angellab/as a standalone C program running on LINUX.

Characterization of the mutant spectra of a fish RNA virus within individual hosts during natural infections

USGS Publications Warehouse

Emmenegger, Eveline J.; Troyer, Ryan M.; Kurath, Gael

2003-01-01

Infectious hematopoietic necrosis virus (IHNV) is an RNA virus that causes significant mortalities of salmonids in the Pacific Northwest of North America. RNA virus populations typically contain genetic variants that form a heterogeneous virus pool, referred to as a quasispecies or mutant spectrum. This study characterized the mutant spectra of IHNV populations within individual fish reared in different environmental settings by RT–PCR of genomic viral RNA and determination of partial glycoprotein gene sequences of molecular clones. The diversity of the mutant spectra from ten in vivo populations was low and the average mutation frequencies of duplicate populations did not significantly exceed the background mutation level expected from the methodology. In contrast, two in vitro populations contained variants with an identical mutational hot spot. These results indicated that the mutant spectra of natural IHNV populations is very homogeneous, and does not explain the different magnitudes of genetic diversity observed between the different IHNV genogroups. Overall the mutant frequency of IHNV within its host is one of the lowest reported for RNA viruses.

Vibrational spectra of ketamine hydrochloride and 3, 4-methylenedioxymethamphetamine in terahertz range

NASA Astrophysics Data System (ADS)

Wang, Guangqin; Shen, Jingling; Jia, Yan

2007-07-01

The terahertz spectrum of ketamine hydrochloride at room temperature, in the range of 0.2-2.6THz, has been measured by terahertz time-domain spectroscopy (TDS). Full-geometry optimizations and frequency calculations using the density functional theory (DFT) are also applied to predict the absorption spectra of ketamine hydrochloride and 3, 4-methylenedioxymethamphetamine (MDMA). The results of the simulation show qualitative agreement with the experimental data especially for MDMA, and the observed spectra features are assigned based on the DFT calculation. The results suggest that use of the terahertz TDS technique can be an effective method for the detection and inspection of illicit drugs.

A Comparison of the Raman Spectra and Crystal Chemistry of Norbergite and Clinohumite at High Pressure

NASA Astrophysics Data System (ADS)

Pease, A. M.; Gramsch, S. A.

2017-12-01

Humite group minerals n(Mg.Fe)2SiO4 - (Mg,Fe)(OH)2 have been suggested as possible candidates for water storage and transport in the mantle, and clinohumite in particular has been proposed as the source of ilmenite lamellae in Alpine ultrahigh pressure metamorphic terranes via its decomposition at high pressure and temperature. In this study, a comparison is made between the Raman spectra of norbergite (n = 1) and clinohumite (n = 4) up to 15 GPa to correlate the structural and vibrational properties of these two members of the group. All observed vibrational modes in the Raman spectra of both minerals increase in frequency with pressure, although the change in frequencies with pressure is much steeper in norbergite than for clinohumite. In norbergite, antisymmetric stretching modes of the SiO4 tetrahedra merge, but no such merging of modes occurs in clinohumite. In addition, the intensity of the antisymmetric stretching mode for clinohumite decreases dramatically in pressure compared to the intensity of the symmetric stretching mode. In the spectra of norbergite, these two modes retain their relative intensities with increasing pressure. The most striking difference between the spectra of norbergite and clinohumite is in the deformation modes of the brucite layer, which within the clinohumite structure retain their intensities with increasing pressure, while these modes are not observed in the spectra of norbergite. The nature of the Raman spectra and their evolution with pressure are correlated with the structural properties of the two minerals in terms of the interactions between olivine and brucite layers and the crystal chemistry of the humite group minerals.

Frequency of a positive family history of colorectal cancer in general practice: a cross-sectional study.

PubMed

Plath, Jasper; Siebenhofer, Andrea; Koné, Insa; Hechtner, Marlene; Schulz-Rothe, Sylvia; Beyer, Martin; Gerlach, Ferdinand M; Guethlin, Corina

2017-02-01

Evidence on the frequency of a positive family history of colorectal cancer (CRC) among individuals aged <55 years is lacking. General practice setting might be well suited for the identification of individuals in this above-average risk group. To determine the frequency of a reported positive family history of CRC among patients aged 40 to 54 years in a general practice setting. We conducted a cross-sectional study in 21 general practices in Germany. Patients aged 40 to 54 years were identified by means of the practice software and interviewed by health care assistants using a standardized four-item questionnaire. Outcome was occurrence of a positive family history of CRC, defined as at least one first-degree relative (FDR: parents, siblings, or children) with CRC. Further measurements were FDRs with CRC / colorectal polyps (adenomas) diagnosed before the age of 50 and occurrence of three or more relatives with colorectal, stomach, cervical, ovarian, urethel or renal pelvic cancer. Out of 6723 participants, 7.2% (95% confidence interval [CI] 6.6% to 7.8%) reported at least one FDR with CRC and 1.2% (95% CI 0.9% to 1.5%) reported FDRs with CRC diagnosed before the age of 50. A further 2.6% (95% CI 2.3% to 3.0%) reported colorectal polyps in FDRs diagnosed before the age of 50 and 2.1% (95% CI 1.8% to 2.5%) reported three or more relatives with entities mentioned above. One in 14 patients reported at least one FDR with CRC. General practice should be considered when defining requirements of risk-adapted CRC screening. © The Author 2016. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Sparse Representation Based Frequency Detection and Uncertainty Reduction in Blade Tip Timing Measurement for Multi-Mode Blade Vibration Monitoring

PubMed Central

Pan, Minghao; Yang, Yongmin; Guan, Fengjiao; Hu, Haifeng; Xu, Hailong

2017-01-01

The accurate monitoring of blade vibration under operating conditions is essential in turbo-machinery testing. Blade tip timing (BTT) is a promising non-contact technique for the measurement of blade vibrations. However, the BTT sampling data are inherently under-sampled and contaminated with several measurement uncertainties. How to recover frequency spectra of blade vibrations though processing these under-sampled biased signals is a bottleneck problem. A novel method of BTT signal processing for alleviating measurement uncertainties in recovery of multi-mode blade vibration frequency spectrum is proposed in this paper. The method can be divided into four phases. First, a single measurement vector model is built by exploiting that the blade vibration signals are sparse in frequency spectra. Secondly, the uniqueness of the nonnegative sparse solution is studied to achieve the vibration frequency spectrum. Thirdly, typical sources of BTT measurement uncertainties are quantitatively analyzed. Finally, an improved vibration frequency spectra recovery method is proposed to get a guaranteed level of sparse solution when measurement results are biased. Simulations and experiments are performed to prove the feasibility of the proposed method. The most outstanding advantage is that this method can prevent the recovered multi-mode vibration spectra from being affected by BTT measurement uncertainties without increasing the probe number. PMID:28758952

Monte Carlo simulation of x-ray spectra in diagnostic radiology and mammography using MCNP4C

NASA Astrophysics Data System (ADS)

Ay, M. R.; Shahriari, M.; Sarkar, S.; Adib, M.; Zaidi, H.

2004-11-01

The general purpose Monte Carlo N-particle radiation transport computer code (MCNP4C) was used for the simulation of x-ray spectra in diagnostic radiology and mammography. The electrons were transported until they slow down and stop in the target. Both bremsstrahlung and characteristic x-ray production were considered in this work. We focus on the simulation of various target/filter combinations to investigate the effect of tube voltage, target material and filter thickness on x-ray spectra in the diagnostic radiology and mammography energy ranges. The simulated x-ray spectra were compared with experimental measurements and spectra calculated by IPEM report number 78. In addition, the anode heel effect and off-axis x-ray spectra were assessed for different anode angles and target materials and the results were compared with EGS4-based Monte Carlo simulations and measured data. Quantitative evaluation of the differences between our Monte Carlo simulated and comparison spectra was performed using student's t-test statistical analysis. Generally, there is a good agreement between the simulated x-ray and comparison spectra, although there are systematic differences between the simulated and reference spectra especially in the K-characteristic x-rays intensity. Nevertheless, no statistically significant differences have been observed between IPEM spectra and the simulated spectra. It has been shown that the difference between MCNP simulated spectra and IPEM spectra in the low energy range is the result of the overestimation of characteristic photons following the normalization procedure. The transmission curves produced by MCNP4C have good agreement with the IPEM report especially for tube voltages of 50 kV and 80 kV. The systematic discrepancy for higher tube voltages is the result of systematic differences between the corresponding spectra.

Skew Projection of Echo-Detected EPR Spectra for Increased Sensitivity and Resolution

PubMed Central

Bowman, Michael K.; Krzyaniak, Matthew D.; Cruce, Alex A.; Weber, Ralph T.

2013-01-01

The measurement of EPR spectra during pulsed EPR experiments is commonly accomplished by recording the integral of the electron spin echo as the applied magnetic field is stepped through the spectrum. This approach to echo-detected EPR spectral measurement (ED-EPR) limits sensitivity and spectral resolution and can cause gross distortions in the resulting spectra because some of the information present in the electron spin echo is discarded in such measurements. However, Fourier Transformation of echo shapes measured at a series of magnetic field values followed by skew projection onto either a magnetic field or resonance frequency axis can increase both spectral resolution and sensitivity without the need to trade one against the other. Examples of skew-projected spectra with single crystals, glasses and powders show resolution improvements as large as a factor of seven with sensitivity increases of as much as a factor of five. PMID:23644351

Skew projection of echo-detected EPR spectra for increased sensitivity and resolution

NASA Astrophysics Data System (ADS)

Bowman, Michael K.; Krzyaniak, Matthew D.; Cruce, Alex A.; Weber, Ralph T.

2013-06-01

The measurement of EPR spectra during pulsed EPR experiments is commonly accomplished by recording the integral of the electron spin echo as the applied magnetic field is stepped through the spectrum. This approach to echo-detected EPR spectral measurement (ED-EPR) limits sensitivity and spectral resolution and can cause gross distortions in the resulting spectra because some of the information present in the electron spin echo is discarded in such measurements. However, Fourier transformation of echo shapes measured at a series of magnetic field values followed by skew projection onto either a magnetic field or resonance frequency axis can increase both spectral resolution and sensitivity without the need to trade one against the other. Examples of skew-projected spectra with single crystals, glasses and powders show resolution improvements as large as a factor of seven with sensitivity increases of as much as a factor of five.

Integrated Millimeter-Wave Frequency Multiplers

NASA Astrophysics Data System (ADS)

Schoenthal, Gerhard S.; Deaver, B. S.; Crowe, T. W.; Bishop, W. L.; Saini, K.; Bradley, R. F.

2001-11-01

Many of the molecules of interest to radio astronomers and atmospheric chemists resonate at frequencies in the millimeter and submillimeter wavelength bands. To measure the spectra of these molecules scientists rely on heterodyne receivers that convert the high frequency signal to the GHz band where it is readily amplified and analyzed. One of the challenges of developing suitable receiver systems is the development of compact, reliable and affordable sources of local oscillator power at frequencies in excess of 100 GHz. One useful solution is to use GaAs Schottky diodes, in their varactor mode, to generate high frequency harmonics of lower frequency sources such as Gunn oscillators. As a part of a multi-national radio astronomy project, the Atacama Millimeter Large Array (ALMA), we have designed and fabricated a broadband frequency tripler with an output centered at 240 GHz. It is integrated on a quartz substrate to greatly reduce the parasitic capacitance and thereby improve electrical performance. The integrated circuit was designed to require no oxides or ohmic contacts, thereby easing fabrication. This talk will discuss the novel millimeter-wave integrated circuit fabrication process and the initial results.

Quantum chemical calculations and analysis of FTIR, FT-Raman and UV-Vis spectra of temozolomide molecule

NASA Astrophysics Data System (ADS)

Bhat, Sheeraz Ahmad; Ahmad, Shabbir

2015-11-01

A combined experimental and theoretical study of the structure, vibrational and electronic spectra of temozolomide molecule, which is largely used in the treatment of brain tumours, is presented. FTIR (4000-400 cm-1) and FT-Raman spectra (4000‒50 cm-1) have been recorded and analysed using anharmonic frequency calculations using VPT2, VSCF and CC-VSCF levels of theory within B3LYP/6-311++G(d,p) framework. Anharmonic methods give accurate frequencies of fundamental modes, overtones as well as Fermi resonances and account for coupling of different modes. The anharmonic frequencies calculated using VPT2 and CC-VSCF methods show better agreement with the experimental data. Harmonic frequencies including solvent effects are also computed using IEF-PCM model. The magnitudes of coupling between pair of modes have been calculated using coupling integral based on 2MR-QFF approximation. Intermolecular interactions are discussed for three possible dimers of temozolomide. UV-Vis spectrum, examined in ethanol solvent, is compared with the calculated spectrum at TD-DFT/6-311++G(d,p) level of theory. The electronic properties, such as excitation energy, frontier molecular orbital energies and the assignments of the absorption bands are also discussed.

Frequency regularities of acoustic modes and multi-colour mode identification in rapidly rotating stars

NASA Astrophysics Data System (ADS)

Reese, D. R.; Lignières, F.; Ballot, J.; Dupret, M.-A.; Barban, C.; van't Veer-Menneret, C.; MacGregor, K. B.

2017-05-01

Context. Mode identification has remained a major obstacle in the interpretation of pulsation spectra in rapidly rotating stars. This has motivated recent work on calculating realistic multi-colour mode visibilities in this type of star. Aims: We would like to test mode identification methods and seismic diagnostics in rapidly rotating stars, using oscillation spectra that are based on these new theoretical predictions. Methods: We investigate the auto-correlation function and Fourier transform of theoretically calculated frequency spectra, in which modes are selected according to their visibilities. Given that intrinsic mode amplitudes are determined by non-linear saturation and cannot currently be theoretically predicted, we experimented with various ad-hoc prescriptions for setting the mode amplitudes, including using random values. Furthermore, we analyse the ratios between mode amplitudes observed in different photometric bands to see up to what extent they can identify modes. Results: When non-random intrinsic mode amplitudes are used, our results show that it is possible to extract a mean value for the large frequency separation or half its value and, sometimes, twice the rotation rate, from the auto-correlation of the frequency spectra. Furthermore, the Fourier transforms are mostly sensitive to the large frequency separation or half its value. The combination of the two methods may therefore measure and distinguish the two types of separations. When the intrinsic mode amplitudes include random factors, which seems more representative of real stars, the results are far less favourable. It is only when the large separation or half its value coincides with twice the rotation rate, that it might be possible to detect the signature of a frequency regularity. We also find that amplitude ratios are a good way of grouping together modes with similar characteristics. By analysing the frequencies of these groups, it is possible to constrain mode identification, as

IRAS Low Resolution Spectra of Asteroids

NASA Technical Reports Server (NTRS)

Cohen, Martin; Walker, Russell G.

2002-01-01

Optical/near-infrared studies of asteroids are based on reflected sunlight and surface albedo variations create broad spectral features, suggestive of families of materials. There is a significant literature on these features, but there is very little work in the thermal infrared that directly probes the materials emitting on the surfaces of asteroids. We have searched for and extracted 534 thermal spectra of 245 asteroids from the original Dutch (Groningen) archive of spectra observed by the IRAS Low Resolution Spectrometer (LRS). We find that, in general, the observed shapes of the spectral continua are inconsistent with that predicted by the standard thermal model used by IRAS. Thermal models such as proposed by Harris (1998) and Harris et al.(1998) for the near-earth asteroids with the "beaming parameter" in the range of 1.0 to 1.2 best represent the observed spectral shapes. This implies that the IRAS Minor Planet Survey (IMPS, Tedesco, 1992) and the Supplementary IMPS (SIMPS, Tedesco, et al., 2002) derived asteroid diameters are systematically underestimated, and the albedos are overestimated. We have tentatively identified several spectral features that appear to be diagnostic of at least families of materials. The variation of spectral features with taxonomic class hints that thermal infrared spectra can be a valuable tool for taxonomic classification of asteroids.

Study of hydrogen bond polarized IR spectra of cinnamic acid crystals

NASA Astrophysics Data System (ADS)

Flakus, Henryk T.; Jabłońska, Magdalena

2004-11-01

This paper presents the results of investigation of the polarized IR spectra of cinnamic acid and of its deuterium derivative crystals. The spectra were measured by a transmission method, using polarized light, at the room temperature and at 77 K, for two different crystalline faces. Theoretical analysis of the results concerned linear dichroic effects, H/D isotopic and temperature effects, observed in the spectra of the hydrogen and of the deuterium bonds in cinnamic acid crystals, at the frequency ranges of the νO-H and the νO-D bands. The basic crystal spectral properties could be satisfactorily interpreted in a quantitative way for a centrosymmetric cyclic hydrogen bond dimer model. Such a model explains not only a two-branch structure of the νO-H and νO-D bands in crystalline spectra, but also some essential linear dichroic effects in the band frequency ranges, measured for isotopically diluted crystals. Model calculations, performed within the limits of the 'strong-coupling' model, allowed for quantitative interpretation and for understanding of the basic properties of the hydrogen bond IR spectra of cinnamic acid crystals, H/D isotopic, temperature and dichroic effects included. In the scope of our studies the mechanism of H/D isotopic 'self-organization' processes, taking place in the crystal hydrogen bond lattices, was also recognized. It was proved that for isotopically diluted crystalline samples of cinnamic acid, a non-random distribution of protons and deuterons occurs exclusively in the hydrogen bond dimers. Nevertheless, these co-operative interactions between the hydrogen bonds do not involve the adjacent hydrogen bond dimers in each unit cell. The two-branch fine structure pattern of the νO-H and νO-D bands was ascribed to the vibronic mechanism of vibrational dipole selection rule breaking in centrosymmetric hydrogen bond dimers. The observed in the spectra very high intensity of the forbidden transition sub-band in the analyzed νO-H and �

Influence of crystal fields on the quasimetallic reflection spectra of crystals: Optical spectra of polymorphs of a squarylium dye

NASA Astrophysics Data System (ADS)

Tristani-Kendra, M.; Eckhardt, C. J.

1984-08-01

The reflection and Kramers-Kronig absorption spectra have been obtained from the monoclinic and triclinic polymorphs of a squarylium dye, 2,4-bis(4-diethylamino-2-hydroxy phenyl) cyclobutadienediylium-1,3-diolate. The extremely different optical responses were found to arise from two molecular singlet transitions of essentially long axis polarization. Successful application of a four oscillator molecular exciton-polariton theory required the use of point charge densities rather than point dipoles in an extension of the theory which employed both interactions between the two singlets as well as a frequency dependent lattice damping. An intermolecular charge transfer transition is also assigned.

Temperature and baric dependence of nuclear quadruple resonance spectra in indium and gallium monoselenides

NASA Astrophysics Data System (ADS)

Khandozhko, Victor; Raranskii, Nikolai; Balazjuk, Vitaly; Samila, Andriy; Kovalyuk, Zahar

2013-12-01

Pulsed radiospectroscopy method has been used to study nuclear quadruple resonance (NQR) spectra of 69Ga and 115In isotopes in the layered semiconductors GaSe and InSe. It has been found that in GaSe and InSe there is a considerable temperature dependence of NQR frequency which in the temperature range of 250 to 390 K is practically linear with conversion slope 1.54 kHz/degree for 69Ga and 2.35 kHz/degree for 115In. In the same crystals the effect of uniaxial pressure on NQR spectra applied along the optical axis с up to the values of 500 kg/сm2 has been studied. A strong attenuation of NQR spectra intensity with increase in pressure on layered crystal package has been established. The unvaried multiplicity of resonance spectra indicates the absence of structural transformations in these layered crystals over the investigated range of temperatures and pressures.

Bad Dream Frequency in Older Adults with Generalized Anxiety Disorder: Prevalence, Correlates, and Effect of Cognitive Behavioral Treatment for Anxiety

PubMed Central

Nadorff, Michael R.; Porter, Ben; Rhoades, Howard M.; Greisinger, Anthony J.; Kunik, Mark E.; Stanley, Melinda A.

2012-01-01

This study investigated the relation between generalized anxiety disorder (GAD) and frequency of bad dreams in older adults. A secondary analysis from a randomized clinical trial comparing cognitive behavioral therapy for anxiety (CBT) to enhanced usual care (EUC), it assessed bad dream frequency at baseline, post-treatment (3 months), and 6, 9, 12 and 15 months. Of 227 participants (mean age = 67.4), 134 met GAD diagnostic criteria (CBT = 70, EUC = 64), with the remaining 93 serving as a comparison group. Patients with GAD had significantly more bad dreams than those without, and bad dream frequency was significantly associated with depression, anxiety, worry, and poor quality of life. CBT for anxiety significantly reduced bad dream frequency at post-treatment and throughout follow-up compared to EUC. PMID:23470116

47 CFR 2.102 - Assignment of frequencies.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 1 2010-10-01 2010-10-01 false Assignment of frequencies. 2.102 Section 2.102 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL... authorized the use of any frequency or frequency band not exclusively allocated to the passive services...

Defects in regular nanosystems and interference spectra at reemission of electromagnetic field attosecond pulses

NASA Astrophysics Data System (ADS)

Matveev, V. I.; Makarov, D. N.

2017-01-01

The effect of defects in nanostructured targets on interference spectra at the reemission of attosecond electromagnetic pulses has been considered. General expressions have been obtained for calculations of spectral distributions for one-, two-, and three-dimensional multiatomic nanosystems consisting of identical complex atoms with defects such as bends, vacancies, and breaks. Changes in interference spectra by a linear chain with several removed atoms (chain with breaks) and by a linear chain with a bend have been calculated as examples allowing a simple analytical representation. Generalization to two- and three-dimensional nanosystems has been developed.

A General Model of Negative Frequency Dependent Selection Explains Global Patterns of Human ABO Polymorphism

PubMed Central

Villanea, Fernando A.; Safi, Kristin N.; Busch, Jeremiah W.

2015-01-01

The ABO locus in humans is characterized by elevated heterozygosity and very similar allele frequencies among populations scattered across the globe. Using knowledge of ABO protein function, we generated a simple model of asymmetric negative frequency dependent selection and genetic drift to explain the maintenance of ABO polymorphism and its loss in human populations. In our models, regardless of the strength of selection, models with large effective population sizes result in ABO allele frequencies that closely match those observed in most continental populations. Populations must be moderately small to fall out of equilibrium and lose either the A or B allele (Ne ≤ 50) and much smaller (N e ≤ 25) for the complete loss of diversity, which nearly always involved the fixation of the O allele. A pattern of low heterozygosity at the ABO locus where loss of polymorphism occurs in our model is consistent with small populations, such as Native American populations. This study provides a general evolutionary model to explain the observed global patterns of polymorphism at the ABO locus and the pattern of allele loss in small populations. Moreover, these results inform the range of population sizes associated with the recent human colonization of the Americas. PMID:25946124

Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Multiscale Climate Emulator of Multimodal Wave Spectra: MUSCLE-spectra

NASA Astrophysics Data System (ADS)

Rueda, A.; Hegermiller, C.; Alvarez Antolinez, J. A.; Camus, P.; Vitousek, S.; Ruggiero, P.; Barnard, P.; Erikson, L. H.; Tomas, A.; Mendez, F. J.

2016-12-01

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

Simplified expressions that incorporate finite pulse effects into coherent two-dimensional optical spectra.

PubMed

Do, Thanh Nhut; Gelin, Maxim F; Tan, Howe-Siang

2017-10-14

We derive general expressions that incorporate finite pulse envelope effects into a coherent two-dimensional optical spectroscopy (2DOS) technique. These expressions are simpler and less computationally intensive than the conventional triple integral calculations needed to simulate 2DOS spectra. The simplified expressions involving multiplications of arbitrary pulse spectra with 2D spectral response function are shown to be exactly equal to the conventional triple integral calculations of 2DOS spectra if the 2D spectral response functions do not vary with population time. With minor modifications, they are also accurate for 2D spectral response functions with quantum beats and exponential decay during population time. These conditions cover a broad range of experimental 2DOS spectra. For certain analytically defined pulse spectra, we also derived expressions of 2D spectra for arbitrary population time dependent 2DOS spectral response functions. Having simpler and more efficient methods to calculate experimentally relevant 2DOS spectra with finite pulse effect considered will be important in the simulation and understanding of the complex systems routinely being studied by using 2DOS.

[The effect of electromagnetic waves of very high frequency of molecular spectra of radiation and absorption of nitric oxide on the functional activity of platelets].

PubMed

Kirichuk, V F; Maĭborodin, A V; Volin, M V; Krenitskiĭ, A P; Tupikin, V D

2001-01-01

A study was made of the effect of electromagnetic EMI MMD-fluctuation on the frequencies of molecular spectra of radiation, and nitric oxide absorption under in vitro conditions on the functional activity of platelets in patients with unstable angina pectoris, with the help of a specially created generator. At amplitude-modulated and continuous modes of EMI MMD-irradiation of platelet-rich plasma for 5, 15 and 30 min the platelet functional activity decreases, which was shown up in reduction of their activation and fall of aggregative ability. The degree, to which platelet functional activity was inhibited, depended on the mode of irradiation and on duration of EMI MMD effect. The most obvious changes in platelet activation and in their readiness to aggregative response were observed at a continuous mode of irradiation within a 15 min interval.

FT-IR and FT-Raman spectra of cimetidine and its metallocomplexes

NASA Astrophysics Data System (ADS)

Barańska, M.; Proniewicz, L. M.

1999-11-01

We present vibrational spectra of three stable, well-reproducible, polymorphic forms of cimetidine ( cim), a drug which is a powerful histamine H 2-receptor antagonist used in the treatment of peptic ulcer and the Zollinger-Ellison syndrome. Assignments of Raman and IR bands are made using semiempirical methods: MNDO, AM1 and PM3. We also describe the synthesis of Me( cim) 2(ClO 4) 2, where Me=Cu(II), Cd(II), Co(II) and Ni(II), and present their vibrational data. We show that the obtained complexes are isostructural, however a metal ion that occupies a center of octahedral unit introduces some distortions that can be seen in the spectra. We also make tentative assignment of metal-ligand stretching modes observed in low frequency range.

Diagrammatic expansion for positive density-response spectra: Application to the electron gas

NASA Astrophysics Data System (ADS)

Uimonen, A.-M.; Stefanucci, G.; Pavlyukh, Y.; van Leeuwen, R.

2015-03-01

In a recent paper [Phys. Rev. B 90, 115134 (2014), 10.1103/PhysRevB.90.115134] we put forward a diagrammatic expansion for the self-energy which guarantees the positivity of the spectral function. In this work we extend the theory to the density-response function. We write the generic diagram for the density-response spectrum as the sum of "partitions." In a partition the original diagram is evaluated using time-ordered Green's functions on the left half of the diagram, antitime-ordered Green's functions on the right half of the diagram, and lesser or greater Green's function gluing the two halves. As there exists more than one way to cut a diagram in two halves, to every diagram corresponds more than one partition. We recognize that the most convenient diagrammatic objects for constructing a theory of positive spectra are the half-diagrams. Diagrammatic approximations obtained by summing the squares of half-diagrams do indeed correspond to a combination of partitions which, by construction, yield a positive spectrum. We develop the theory using bare Green's functions and subsequently extend it to dressed Green's functions. We further prove a connection between the positivity of the spectral function and the analytic properties of the polarizability. The general theory is illustrated with several examples and then applied to solve the long-standing problem of including vertex corrections without altering the positivity of the spectrum. In fact already the first-order vertex diagram, relevant to the study of gradient expansion, Friedel oscillations, etc., leads to spectra which are negative in certain frequency domain. We find that the simplest approximation to cure this deficiency is given by the sum of the zeroth-order bubble diagram, the first-order vertex diagram, and a partition of the second-order ladder diagram. We evaluate this approximation in the three-dimensional homogeneous electron gas and show the positivity of the spectrum for all frequencies and

Plasma fluctuations in a Kaufman thruster. [root mean square magnitude, spectra and cross correlation

NASA Technical Reports Server (NTRS)

Serafini, J. S.; Terdan, F. F.

1973-01-01

Measurements of the RMS magnitude, spectra and cross-correlations for the fluctuations in the beam, discharge and neutralizer keeper currents are presented for a 30-cm diameter dished grid ion thrustor for a range of magnetic baffle currents and up to 2.0 amperes beam current. The ratio of RMS to mean ion beam current varied from 0.04 to 0.23. The spectra of the amplitudes of the beam and discharge current fluctuations were taken up to 9 MHz and show that the predominant amplitudes occur at frequencies of 10 kHz or below. The fall-off with increasing frequency is rapid. Frequencies above 100 kHz the spectral levels are 45 kb or more below the maximum peak amplitudes. The cross-correlations revealed the ion beam fluctuations to have large radial and axial scales which implied that the beam fluctuates as a whole or 'in-phase.' The cross-correlations of the beam and neutralizer keeper current fluctuations indicated the neutralizer contributions to the beam fluctuations to be small, but not negligible. The mode of operation of the thrustor (values of beam and magnetic baffle currents) was significant in determining the RMS magnitude and spectral shape of the beam fluctuations. The major oscillations were not found to be directly dependent on the power conditioner inverter frequencies.

Measurements of ocean wave spectra and modulation transfer function with the airborne two frequency scatterometer

NASA Technical Reports Server (NTRS)

Weissman, D. E.; Johnson, J. W.

1984-01-01

The directional spectrum and the microwave modulation transfer function of ocean waves can be measured with the airborne two frequency scatterometer technique. Similar to tower based observations, the aircraft measurements of the Modulation Transfer Function (MTF) show that it is strongly affected by both wind speed and sea state. Also detected are small differences in the magnitudes of the MTF between downwind and upwind radar look directions, and variations with ocean wavenumber. The MTF inferred from the two frequency radar is larger than that measured using single frequency, wave orbital velocity techniques such as tower based radars or ROWS measurements from low altitude aircraft. Possible reasons for this are discussed. The ability to measure the ocean directional spectrum with the two frequency scatterometer, with supporting MTF data, is demonstrated.

Measurements of ocean wave spectra and modulation transfer function with the airborne two-frequency scatterometer

NASA Technical Reports Server (NTRS)

Weissman, D. E.; Johnson, J. W.

1986-01-01

The directional spectrum and the microwave modulation transfer function of ocean waves can be measured with the airborne two frequency scatterometer technique. Similar to tower based observations, the aircraft measurements of the Modulation Transfer Function (MTF) show that it is strongly affected by both wind speed and sea state. Also detected are small differences in the magnitudes of the MTF between downwind and upwind radar look directions, and variations with ocean wavenumber. The MTF inferred from the two frequency radar is larger than that measured using single frequency, wave orbital velocity techniques such as tower based radars or ROWS measurements from low altitude aircraft. Possible reasons for this are discussed. The ability to measure the ocean directional spectrum with the two frequency scatterometer, with supporting MTF data, is demonstrated.

Frequency comb generation in a continuously pumped optical parametric oscillator

NASA Astrophysics Data System (ADS)

Mosca, S.; Parisi, M.; Ricciardi, I.; Leo, F.; Hansson, T.; Erkintalo, M.; Maddaloni, P.; De Natale, P.; Wabnitz, S.; De Rosa, M.

2018-02-01

We demonstrate optical frequency comb generation in a continuously pumped optical parametric oscillator, in the parametric region around half of the pump frequency. We also model the dynamics of such quadratic combs using a single time-domain mean-field equation, and obtain simulation results that are in good agreement with experimentally observed spectra. Moreover, we numerically investigate the coherence properties of simulated combs, showing the existence of correlated and phase-locked combs. Our work could pave the way for a new class of frequency comb sources, which may enable straightforward access to new spectral regions and stimulate novel applications of frequency combs.

Neural network recognition of chemical class information in mobility spectra obtained at high temperatures

NASA Technical Reports Server (NTRS)

Bell, S.; Nazarov, E.; Wang, Y. F.; Rodriguez, J. E.; Eiceman, G. A.

2000-01-01

A minimal neural network was applied to a large library of high-temperature mobility spectra drawn from 16 chemical classes including 154 substances with 2000 spectra at various concentrations. A genetic algorithm was used to create a representative subset of points from the mobility spectrum as input to a cascade-type back-propagation network. This network demonstrated that significant information specific to chemical class was located in the spectral region near the reactant ions. This network failed to generalize the solution to unfamiliar compounds necessitating the use of complete spectra in network processing. An extended back-propagation network classified unfamiliar chemicals by functional group with a mean for average values of 0.83 without sulfides and 0.79 with sulfides. Further experiments confirmed that chemical class information was resident in the spectral region near the reactant ions. Deconvolution of spectra demonstrated the presence of ions, merged with the reactant ion peaks that originated from introduced samples. The ability of the neural network to generalize the solution to unfamiliar compounds suggests that these ions are distinct and class specific.

Identification of Natural Frequency of Low Rise Building on Soft Ground Profile using Ambient Vibration Method

NASA Astrophysics Data System (ADS)

Kamarudin, A. F.; Zainal Abidin, M. H.; Mokhatar, S. N.; Daud, M. E.; Ibrahim, A.; Ibrahim, Z.; Noh, M. S. Md

2018-04-01

Natural frequency is the rate at which a body to vibrate or oscillate. Application of ambient vibration (AV) excitation is widely used nowadays as the input motion for building predominant frequency, fo, and ground fundamental frequency, Fo, prediction due to simple, fast, non-destructive, simple handling operation and reliable result. However, it must be emphasized and caution to isolate these frequencies (fo and Fo) from spurious frequencies of site-structure effects especially to low rise building on soft ground deposit. In this study, identification of fo and Fo by using AV measurements were performed on ground and 4-storey primary school reinforced concrete (RC) building at Sekolah Kebangsaan (SK) Sg. Tongkang, Rengit, Johor using 1 Hz of tri-axial seismometer sensor. Overlapping spectra between Fourier Amplitude Spectra (FAS) from and Horizontal to Vertical Spectra Ratio (HVSR) were used to distinguish respective frequencies of building and ground natural frequencies. Three dominant frequencies were identified from the FAS curves at 1.91 Hz, 1.98 Hz and 2.79 Hz in longitudinal (East West-EW), transverse (North South-NS) and vertical (UD) directions. It is expected the building has deformed in translational mode based on the first peak frequency by respective NS and EW components of FAS spectrum. Vertical frequency identified from the horizontal spectrums, might induces to the potential of rocking effect experienced by the school building. Meanwhile, single peak HVSR spectrum at low ground fundamental frequency concentrated at 0.93 Hz indicates to the existence deep contrast of soft deposit. Strong interaction between ground and building at similar frequency (0.93 Hz) observed from the FAS curves on the highest floor has shown the building to behave as a dependent unit against ground response as one rigid mass.

FT-IR, FT-Raman spectra and DFT calculations of melaminium perchlorate monohydrate.

PubMed

Kanagathara, N; Marchewka, M K; Drozd, M; Renganathan, N G; Gunasekaran, S; Anbalagan, G

2013-08-01

Melaminium perchlorate monohydrate (MPM), an organic material has been synthesized by slow solvent evaporation method at room temperature. Powder X-ray diffraction analysis confirms that MPM crystal belongs to triclinic system with space group P-1. FTIR and FT Raman spectra are recorded at room temperature. Functional group assignment has been made for the melaminium cations and perchlorate anions. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory (DFT) calculations using Firefly (PC GAMESS) version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with experimental values. The assignment of the bands has been made on the basis of the calculated PED. The Mulliken charges, HOMO-LUMO orbital energies are analyzed directly from Firefly program log files and graphically illustrated. HOMO-LUMO energy gap and other related molecular properties are also calculated. The theoretically constructed FT-IR and FT-Raman spectra of MPM coincide with the experimental one. The chemical structure of the compound has been established by (1)H and (13)C NMR spectra. No detectable signal was observed during powder test for second harmonic generation. Copyright © 2013 Elsevier B.V. All rights reserved.

FT-IR, FT-Raman spectra and DFT calculations of melaminium perchlorate monohydrate

NASA Astrophysics Data System (ADS)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Renganathan, N. G.; Gunasekaran, S.; Anbalagan, G.

2013-08-01

Melaminium perchlorate monohydrate (MPM), an organic material has been synthesized by slow solvent evaporation method at room temperature. Powder X-ray diffraction analysis confirms that MPM crystal belongs to triclinic system with space group P-1. FTIR and FT Raman spectra are recorded at room temperature. Functional group assignment has been made for the melaminium cations and perchlorate anions. Vibrational spectra have also been discussed on the basis of quantum chemical density functional theory (DFT) calculations using Firefly (PC GAMESS) version 7.1 G. Vibrational frequencies are calculated and scaled values are compared with experimental values. The assignment of the bands has been made on the basis of the calculated PED. The Mulliken charges, HOMO-LUMO orbital energies are analyzed directly from Firefly program log files and graphically illustrated. HOMO-LUMO energy gap and other related molecular properties are also calculated. The theoretically constructed FT-IR and FT-Raman spectra of MPM coincide with the experimental one. The chemical structure of the compound has been established by 1H and 13C NMR spectra. No detectable signal was observed during powder test for second harmonic generation.

Efficient detection of a CW signal with a linear frequency drift

NASA Technical Reports Server (NTRS)

Swarztrauber, Paul N.; Bailey, David H.

1989-01-01

An efficient method is presented for the detection of a continuous wave (CW) signal with a frequency drift that is linear in time. Signals of this type occur in transmissions between any two locations that are accelerating relative to one another, e.g., transmissions from the Voyager spacecraft. We assume that both the frequency and the drift are unknown. We also assume that the signal is weak compared to the Gaussian noise. The signal is partitioned into subsequences whose discrete Fourier transforms provide a sequence of instantaneous spectra at equal time intervals. These spectra are then accumulated with a shift that is proportional to time. When the shift is equal to the frequency drift, the signal to noise ratio increases and detection occurs. Here, we show how to compute these accumulations for many shifts in an efficient manner using a variety of Fast Fourier Transformations (FFT). Computing time is proportional to L log L where L is the length of the time series.

Wavelet transformation to determine impedance spectra of lithium-ion rechargeable battery

NASA Astrophysics Data System (ADS)

Hoshi, Yoshinao; Yakabe, Natsuki; Isobe, Koichiro; Saito, Toshiki; Shitanda, Isao; Itagaki, Masayuki

2016-05-01

A new analytical method is proposed to determine the electrochemical impedance of lithium-ion rechargeable batteries (LIRB) from time domain data by wavelet transformation (WT). The WT is a waveform analysis method that can transform data in the time domain to the frequency domain while retaining time information. In this transformation, the frequency domain data are obtained by the convolution integral of a mother wavelet and original time domain data. A complex Morlet mother wavelet (CMMW) is used to obtain the complex number data in the frequency domain. The CMMW is expressed by combining a Gaussian function and sinusoidal term. The theory to select a set of suitable conditions for variables and constants related to the CMMW, i.e., band, scale, and time parameters, is established by determining impedance spectra from wavelet coefficients using input voltage to the equivalent circuit and the output current. The impedance spectrum of LIRB determined by WT agrees well with that measured using a frequency response analyzer.

Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids

NASA Astrophysics Data System (ADS)

Dykeman, Eric C.; Sankey, Otto F.

2010-02-01

We describe a technique for calculating the low-frequency mechanical modes and frequencies of a large symmetric biological molecule where the eigenvectors of the Hessian matrix are determined with full atomic detail. The method, which follows order N methods used in electronic structure theory, determines the subset of lowest-frequency modes while using group theory to reduce the complexity of the problem. We apply the method to three icosahedral viruses of various T numbers and sizes; the human viruses polio and hepatitis B, and the cowpea chlorotic mottle virus, a plant virus. From the normal-mode eigenvectors, we use a bond polarizability model to predict a low-frequency Raman scattering profile for the viruses. The full atomic detail in the displacement patterns combined with an empirical potential-energy model allows a comparison of the fully atomic normal modes with elastic network models and normal-mode analysis with only dihedral degrees of freedom. We find that coarse-graining normal-mode analysis (particularly the elastic network model) can predict the displacement patterns for the first few (˜10) low-frequency modes that are global and cooperative.

On hydrologic similarity: A dimensionless flood frequency model using a generalized geomorphologic unit hydrograph and partial area runoff generation

NASA Technical Reports Server (NTRS)

Sivapalan, Murugesu; Wood, Eric F.; Beven, Keith J.

1993-01-01

One of the shortcomings of the original theory of the geomorphologic unit hydrograph (GUH) is that it assumes that runoff is generated uniformly from the entire catchment area. It is now recognized that in many catchments much of the runoff during storm events is produced on partial areas which usually form on narrow bands along the stream network. A storm response model that includes runoff generation on partial areas by both Hortonian and Dunne mechanisms was recently developed by the authors. In this paper a methodology for integrating this partial area runoff generation model with the GUH-based runoff routing model is presented; this leads to a generalized GUH. The generalized GUH and the storm response model are then used to estimate physically based flood frequency distributions. In most previous work the initial moisture state of the catchment had been assumed to be constant for all the storms. In this paper we relax this assumption and allow the initial moisture conditions to vary between storms. The resulting flood frequency distributions are cast in a scaled dimensionless framework where issues such as catchment scale and similarity can be conveniently addressed. A number of experiments are performed to study the sensitivity of the flood frequency response to some of the 'similarity' parameters identified in this formulation. The results indicate that one of the most important components of the derived flood frequency model relates to the specification of processes within the runoff generation model; specifically the inclusion of both saturation excess and Horton infiltration excess runoff production mechanisms. The dominance of these mechanisms over different return periods of the flood frequency distribution can significantly affect the distributional shape and confidence limits about the distribution. Comparisons with observed flood distributions seem to indicate that such mixed runoff production mechanisms influence flood distribution shape. The

Time dependent features in tremor spectra

NASA Astrophysics Data System (ADS)

Powell, T. W.; Neuberg, J.

2003-11-01

Harmonic spectral peaks are observed in the tremor spectra of many different volcanoes, and in some cases these spectral lines have been seen to change with time. This has also been observed for the tremor at the Soufrière Hills volcano on Montserrat, West Indies, where the spectral lines are sometimes seen to glide apart before an explosion. We propose a model of repeated triggering of low-frequency earthquakes to explain these gliding lines using the relationship δt=1/ δν, where δt and δν are time and frequency spacing, respectively, and investigate factors which can affect the observation of these spectral peaks. Noise and amplitude variation are shown to have little effect on the spectral peaks; however the time gap between events must be nearly constant over several events. An error with a standard deviation of 2% or less is required for the spectral lines to be observed in the frequency range 0.5-10 Hz. We can reproduce the gliding spectral lines from a specific tremor episode preceding an explosion by changing δt from 1 to 0.31 s over a time period of 12 min. Using this relationship and an Automated Event Classification Analysis Program (AECAP), we can monitor δt over a long time period. The AECAP also extracts other seismic parameters such as energy, duration and spectral characteristics. An initial comparison between low-frequency seismic energy and cyclic tilt shows a correlation between the two, but this does not hold for later cycles.

Odor Impression Prediction from Mass Spectra.

PubMed

Nozaki, Yuji; Nakamoto, Takamichi

2016-01-01

The sense of smell arises from the perception of odors from chemicals. However, the relationship between the impression of odor and the numerous physicochemical parameters has yet to be understood owing to its complexity. As such, there is no established general method for predicting the impression of odor of a chemical only from its physicochemical properties. In this study, we designed a novel predictive model based on an artificial neural network with a deep structure for predicting odor impression utilizing the mass spectra of chemicals, and we conducted a series of computational analyses to evaluate its performance. Feature vectors extracted from the original high-dimensional space using two autoencoders equipped with both input and output layers in the model are used to build a mapping function from the feature space of mass spectra to the feature space of sensory data. The results of predictions obtained by the proposed new method have notable accuracy (R≅0.76) in comparison with a conventional method (R≅0.61).

Type 2 solar radio events observed in the interplanetary medium. Part 1: General characteristics

NASA Technical Reports Server (NTRS)

Cane, H. V.; Stone, R. G.; Fainberg, J.; Steinberg, J. L.; Hoang, S.

1980-01-01

Twelve type 2 solar radio events were observed in the 2 MHz to 30 kHz frequency range by the radio astronomy experiment on the ISEE-3 satellite over the period from September 1978 to December 1979. These data provide the most comprehensive sample of type 2 radio bursts observed at kilometer wavelengths. Dynamic spectra of a number of events are presented. Where possible, the 12 events were associated with an initiating flare, ground based radio data, the passage of a shock at the spacecraft, and the sudden commencement of a geomagnetic storm. The general characteristics of kilometric type 2 bursts are discussed.

Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino)antipyrine, 4-benzylideneaminoantipyrine and 4-cinnamilideneaminoantipyrine

NASA Astrophysics Data System (ADS)

Sun, Yu-Xi; Hao, Qing-Li; Yu, Zong-Xue; Jiang, Wen-Jun; Lu, Lu-De; Wang, Xin

2009-09-01

This work deals with the IR and Raman spectroscopy of 4-(2-furanylmethyleneamino) antipyrine (FAP), 4-benzylideneaminoantipyrine (BAP) and 4-cinnamilideneaminoantipyrine (CAP) by means of experimental and quantum chemical calculations. The equilibrium geometries, harmonic frequencies, infrared intensities and Raman scattering activities were calculated by density functional B3LYP method with the 6-31G(d) basis set. The comparisons between the calculated and experimental results covering molecular structures, assignments of fundamental vibrational modes and thermodynamic properties were investigated. The optimized molecular geometries have been compared with the experimental data obtained from XRD data, which indicates that the theoretical results agree well with the corresponding experimental values. For the three compounds, comparisons and assignments of the vibrational frequencies indicate that the calculated frequencies are close to the experimental data, and the IR spectra are comparable with some slight differences, whereas the Raman spectra are different clearly and the strongest Raman scattering actives are relative tightly to the molecular conjugative moieties linked through their Schiff base imines. The thermodynamic properties (heat capacities, entropies and enthalpy changes) and their correlations with temperatures were also obtained from the harmonic frequencies of the optimized strucutres.

A generalized time-frequency subtraction method for robust speech enhancement based on wavelet filter banks modeling of human auditory system.

PubMed

Shao, Yu; Chang, Chip-Hong

2007-08-01

We present a new speech enhancement scheme for a single-microphone system to meet the demand for quality noise reduction algorithms capable of operating at a very low signal-to-noise ratio. A psychoacoustic model is incorporated into the generalized perceptual wavelet denoising method to reduce the residual noise and improve the intelligibility of speech. The proposed method is a generalized time-frequency subtraction algorithm, which advantageously exploits the wavelet multirate signal representation to preserve the critical transient information. Simultaneous masking and temporal masking of the human auditory system are modeled by the perceptual wavelet packet transform via the frequency and temporal localization of speech components. The wavelet coefficients are used to calculate the Bark spreading energy and temporal spreading energy, from which a time-frequency masking threshold is deduced to adaptively adjust the subtraction parameters of the proposed method. An unvoiced speech enhancement algorithm is also integrated into the system to improve the intelligibility of speech. Through rigorous objective and subjective evaluations, it is shown that the proposed speech enhancement system is capable of reducing noise with little speech degradation in adverse noise environments and the overall performance is superior to several competitive methods.

Amplitude, Frequency, and Timbre with the French Horn

ERIC Educational Resources Information Center

Konz, Nicholas; Ruiz, Michael J.

2018-01-01

The French horn is used to introduce the three basic properties of periodic waves: amplitude, frequency, and waveform. These features relate to the perceptual characteristics of loudness, pitch, and timbre encountered in everyday language. Visualizations are provided in the form of oscilloscope screenshots, spectrograms, and Fourier spectra to…

Infrared and Raman spectra of triacetoxyvinylsilane, aqueous sol-gel and xerogel

NASA Astrophysics Data System (ADS)

Li, Ying-Sing; Ba, Abdul; Mahmood, Maleeha S.

2009-04-01

Triacetoxyvinylsilane (TAVS) has been used as a precursor to prepare sol-gel under aqueous conditions. The sol-gel product has been applied for the surface treatment of aluminum. Infrared and Raman spectra have been collected for TAVS and for TAVS sol-gel, xerogel and sol-gel-coated aluminum. Vibrational analyses have been suggested for the recorded spectra based essentially on the group frequencies and the spectral variation with the change of the sol-gel product states and the vibrational assignments of similar molecules. From the recorded infrared and Raman spectra of the sol-gel and xerogel, it is found that the sol-gel produced in the process with TAVS is essentially the same as that prepared from vinyltriethoxysilane. Thermo-gravimetric analysis (TGA) of TAVS xerogel has been conducted, and an explanation has been given in coordination with the results obtained from IR spectroscopic study of the xerogels cured at different temperatures. The study has demonstrated the thermal effect on the condensation of the sol-gel process and on the vinyl decomposition of TAVS xerogel.

The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs.

PubMed

Mackie, Cameron J; Candian, Alessandra; Huang, Xinchuan; Maltseva, Elena; Petrignani, Annemieke; Oomens, Jos; Buma, Wybren Jan; Lee, Timothy J; Tielens, Alexander G G M

2018-01-03

Polycyclic aromatic hydrocarbons (PAHs) have been shown to be ubiquitous in a large variety of distinct astrophysical environments and are therefore of great interest to astronomers. The majority of these findings are based on theoretically predicted spectra, which make use of scaled DFT harmonic frequencies for band positions and the double harmonic approximation for intensities. However, these approximations have been shown to fail at predicting high-resolution gas-phase infrared spectra accurately, especially in the CH-stretching region (2950-3150 cm -1 , 3 μm). This is particularly worrying for the subset of hydrogenated or methylated PAHs to which astronomers attribute the observed non-aromatic features that appear in the CH-stretching region of spectral observations of the interstellar medium (ISM). In our previous work, we presented the anharmonic theoretical spectra of three linear PAHs and five non-linear PAHs, demonstrating the importance of including anharmonicities into theoretical calculations. In this work we extend these techniques to two methylated PAHs (9-methylanthracene, and 9,10-dimethylanthracene) and four hydrogenated PAHs (9,10-dihydroanthracene, 9,10-dihydrophenanthrene, 1,2,3,4-tetrahydronaphthalene, and 1,2,3,6,7,8-hexahydropyrene) in order to better understand the aliphatic IR features of substituted PAHs. The theoretical spectra are compared with the spectra obtained under matrix isolation low-temperature conditions for the full vibrational fundamental range and under high-resolution, low-temperature gas-phase conditions for the CH-stretching region. Excellent agreement is observed between the theoretical and high-resolution experimental spectra with a deviation of 0.00% ± 0.17%, and changes to the spectra of PAHs upon methylation and hydrogenated are tracked accurately and explained.

Planck 2013 results. XV. CMB power spectra and likelihood

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Armitage-Caplan, C.; Arnaud, M.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bobin, J.; Bock, J. J.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bridges, M.; Bucher, M.; Burigana, C.; Butler, R. C.; Calabrese, E.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chiang, H. C.; Chiang, L.-Y.; Christensen, P. R.; Church, S.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.-M.; Désert, F.-X.; Dickinson, C.; Diego, J. M.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Dunkley, J.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Gaier, T. C.; Galeotta, S.; Galli, S.; Ganga, K.; Giard, M.; Giardino, G.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Hansen, F. K.; Hanson, D.; Harrison, D.; Helou, G.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Hovest, W.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jaffe, T. R.; Jewell, J.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kiiveri, K.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lähteenmäki, A.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Laureijs, R. J.; Lawrence, C. R.; Le Jeune, M.; Leach, S.; Leahy, J. P.; Leonardi, R.; León-Tavares, J.; Lesgourgues, J.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; Lindholm, V.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Maino, D.; Mandolesi, N.; Marinucci, D.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Massardi, M.; Matarrese, S.; Matthai, F.; Mazzotta, P.; Meinhold, P. R.; Melchiorri, A.; Mendes, L.; Menegoni, E.; Mennella, A.; Migliaccio, M.; Millea, M.; Mitra, S.; Miville-Deschênes, M.-A.; Molinari, D.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Moss, A.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Nørgaard-Nielsen, H. U.; Noviello, F.; Novikov, D.; Novikov, I.; O'Dwyer, I. J.; Orieux, F.; Osborne, S.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paladini, R.; Paoletti, D.; Partridge, B.; Pasian, F.; Patanchon, G.; Paykari, P.; Perdereau, O.; Perotto, L.; Perrotta, F.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Popa, L.; Poutanen, T.; Pratt, G. W.; Prézeau, G.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Rahlin, A.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ringeval, C.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rowan-Robinson, M.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Sanselme, L.; Santos, D.; Savini, G.; Scott, D.; Seiffert, M. D.; Shellard, E. P. S.; Spencer, L. D.; Starck, J.-L.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sureau, F.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Tavagnacco, D.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Tuovinen, J.; Türler, M.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Varis, J.; Vielva, P.; Villa, F.; Vittorio, N.; Wade, L. A.; Wandelt, B. D.; Wehus, I. K.; White, M.; White, S. D. M.; Yvon, D.; Zacchei, A.; Zonca, A.

2014-11-01

This paper presents the Planck 2013 likelihood, a complete statistical description of the two-point correlation function of the CMB temperature fluctuations that accounts for all known relevant uncertainties, both instrumental and astrophysical in nature. We use this likelihood to derive our best estimate of the CMB angular power spectrum from Planck over three decades in multipole moment, ℓ, covering 2 ≤ ℓ ≤ 2500. The main source of uncertainty at ℓ ≲ 1500 is cosmic variance. Uncertainties in small-scale foreground modelling and instrumental noise dominate the error budget at higher ℓs. For ℓ < 50, our likelihood exploits all Planck frequency channels from 30 to 353 GHz, separating the cosmological CMB signal from diffuse Galactic foregrounds through a physically motivated Bayesian component separation technique. At ℓ ≥ 50, we employ a correlated Gaussian likelihood approximation based on a fine-grained set of angular cross-spectra derived from multiple detector combinations between the 100, 143, and 217 GHz frequency channels, marginalising over power spectrum foreground templates. We validate our likelihood through an extensive suite of consistency tests, and assess the impact of residual foreground and instrumental uncertainties on the final cosmological parameters. We find good internal agreement among the high-ℓ cross-spectra with residuals below a few μK2 at ℓ ≲ 1000, in agreement with estimated calibration uncertainties. We compare our results with foreground-cleaned CMB maps derived from all Planck frequencies, as well as with cross-spectra derived from the 70 GHz Planck map, and find broad agreement in terms of spectrum residuals and cosmological parameters. We further show that the best-fit ΛCDM cosmology is in excellent agreement with preliminary PlanckEE and TE polarisation spectra. We find that the standard ΛCDM cosmology is well constrained by Planck from the measurements at ℓ ≲ 1500. One specific example is the

Some recent multi-frequency electron paramagnetic resonance results on systems relevant for dosimetry and dating.

PubMed

Callens, F; Vanhaelewyn, G; Matthys, P

2002-04-01

Electron Paramagnetic Resonance (EPR) applications like e.g. EPR dosimetry and dating, are usually performed at X-band frequencies because of practical reasons (cost, sample size, etc.). However, it is increasingly recognized that the radiation-induced EPR signals are strongly composite, what might affect dose/age estimates. A few recent examples from both the dosimetry and dating field, illustrating the problems, will be presented. The involved spectra are mainly due to carbonate-derived radicals (CO2-, CO3(3-), etc.). Measurements at higher microwave frequencies are often recommended to improve the insight into the spectra and/or the practical signal quantification. Recent results at Q- and W-band frequencies will show that a multi-frequency approach indeed opens many interesting perspectives in this field but also that each frequency may have specific (dis)advantages depending on the EPR probe and application involved. The discussion will concern carbonate-containing apatite single crystals, shells, modern and fossil tooth enamel.

Kinetic damping in the spectra of the spherical impedance probe

NASA Astrophysics Data System (ADS)

Oberrath, J.

2018-04-01

The impedance probe is a measurement device to measure plasma parameters, such as electron density. It consists of one electrode connected to a network analyzer via a coaxial cable and is immersed into a plasma. A bias potential superposed with an alternating potential is applied to the electrode and the response of the plasma is measured. Its dynamical interaction with the plasma in an electrostatic, kinetic description can be modeled in an abstract notation based on functional analytic methods. These methods provide the opportunity to derive a general solution, which is given as the response function of the probe–plasma system. It is defined by the matrix elements of the resolvent of an appropriate dynamical operator. Based on the general solution, a residual damping for vanishing pressure can be predicted and can only be explained by kinetic effects. In this paper, an explicit response function of the spherical impedance probe is derived. Therefore, the resolvent is determined by its algebraic representation based on an expansion in orthogonal basis functions. This allows one to compute an approximated response function and its corresponding spectra. These spectra show additional damping due to kinetic effects and are in good agreement with former kinetically determined spectra.