Sample records for c-o vibrational frequencies

  1. Polarized components of C=O vibrations Raman spectra for ethylacetate, acetone, and aggregation of molecules

    NASA Astrophysics Data System (ADS)

    Tukhvatullin, F. H.; Jumabaev, A.; Tashkenbaev, U. N.; Hushvaktov, H. A.; Absanov, A. A.

    2002-11-01

    For liquid ethylacetate the frequency maximums for parallel (I|| (v)) and perpendicular (I\\highmod(v)) polarized components of C=O vibrations band in Raman spectra are differed on 5.3 cm-1. At dilution ethylacetate in CCl4 and heptane or heating in this difference is decreased by displacement of I|| (v) maximum to the I\\highmod(v) maximum. In polar solvent, nitrometane, the picture is different - the frequency maxima difference is decreased though the displacement of I\\highmod(v) band maximum to the I|| (v)one. The results were explained by the complexity of C=O vibration bands, and existence within the band of two lines with the different depolarization ratio. The complexity of the band is the result existence in liquid ethylacetate the monomer molecules and molecular aggregations.

  2. Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics.

    PubMed

    Spiekermann, Georg; Steele-MacInnis, Matthew; Schmidt, Christian; Jahn, Sandro

    2012-04-21

    Vibrational spectroscopy techniques are commonly used to probe the atomic-scale structure of silica species in aqueous solution and hydrous silica glasses. However, unequivocal assignment of individual spectroscopic features to specific vibrational modes is challenging. In this contribution, we establish a connection between experimentally observed vibrational bands and ab initio molecular dynamics (MD) of silica species in solution and in hydrous silica glass. Using the mode-projection approach, we decompose the vibrations of silica species into subspectra resulting from several fundamental structural subunits: The SiO(4) tetrahedron of symmetry T(d), the bridging oxygen (BO) Si-O-Si of symmetry C(2v), the geminal oxygen O-Si-O of symmetry C(2v), the individual Si-OH stretching, and the specific ethane-like symmetric stretching contribution of the H(6)Si(2)O(7) dimer. This allows us to study relevant vibrations of these subunits in any degree of polymerization, from the Q(0) monomer up to the fully polymerized Q(4) tetrahedra. Demonstrating the potential of this approach for supplementing the interpretation of experimental spectra, we compare the calculated frequencies to those extracted from experimental Raman spectra of hydrous silica glasses and silica species in aqueous solution. We discuss observed features such as the double-peaked contribution of the Q(2) tetrahedral symmetric stretch, the individual Si-OH stretching vibrations, the origin of the experimentally observed band at 970 cm(-1) and the ethane-like vibrational contribution of the H(6)Si(2)O(7) dimer at 870 cm(-1).

  3. Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: Matrix infrared spectra and anharmonic frequency calculations

    NASA Astrophysics Data System (ADS)

    Bégué, Didier; Baraille, Isabelle; Andersen, Heidi Gade; Wentrup, Curt

    2013-10-01

    Methyliminopropadienone MeN=C=C=C=O 1a was generated by flash vacuum thermolysis from four different precursors and isolated in solid argon. The matrix-isolation infrared spectrum is dominated by unusually strong anharmonic effects resulting in complex fine structure of the absorptions due to the NCCCO moiety in the 2200 cm-1 region. Doubling and tripling of the corresponding absorption bands are observed for phenyliminopropadienone PhN=C=C=C=O 1b and bis(phenylimino)propadiene PhN=C=C=C=NPh 9, respectively. Anharmonic vibrational frequency calculations allow the identification of a number of overtones and combination bands as the cause of the splittings for each molecule. This method constitutes an important tool for the characterization of reactive intermediates and unusual molecules by matrix-isolation infrared spectroscopy.

  4. An enhanced low-frequency vibration ZnO nanorod-based tuning fork piezoelectric nanogenerator.

    PubMed

    Deng, Weili; Jin, Long; Chen, Yueqi; Chu, Wenjun; Zhang, Binbin; Sun, Huan; Xiong, Da; Lv, Zekai; Zhu, Minhao; Yang, Weiqing

    2018-01-03

    In this paper, a piezoelectric nanogenerator (PENG) based on a tuning fork-shaped cantilever was designed and fabricated, aiming at harvesting low frequency vibration energy in the environment. In the PENG, a tuning fork-shaped elastic beam combined with ZnO nanorods (NRs), instead of conventional rectangular cantilever beams, was adopted to extract vibration energy. Benefiting from the high flexibility and the controllable shape of the substrate, this PENG was extremely sensitive to vibration and can harvest weak vibration energy at a low frequency. Moreover, a series of simulation models were established to compare the performance of the PENG with that of different shapes. On this basis, the experimental results further verify that this designed energy harvester could operate at a low frequency which was about 13 Hz. The peak output voltage and current could respectively reach about 160 mV and 11 nA, and a maximum instantaneous peak power of 0.92 μW cm -3 across a matched load of 9 MΩ was obtained. Evidently, this newly designed PENG could harvest vibration energy at a lower frequency, which will contribute to broaden the application range of the PENG in energy harvesting and self-powered systems.

  5. Study of the solvent effects on the molecular structure and Cdbnd O stretching vibrations of flurbiprofen

    NASA Astrophysics Data System (ADS)

    Tekin, Nalan; Pir, Hacer; Sagdinc, Seda

    2012-12-01

    The effects of 15 solvents on the C=O stretching vibrational frequency of flurbiprofen (FBF) were determined to investigate solvent-solute interactions. Solvent effects on the geometry and C=O stretching vibrational frequency, ν(C=O), of FBF were studied theoretically at the DFT/B3LYP and HF level in combination with the polarizable continuum model and experimentally using attenuated total reflection infrared spectroscopy (ATR-IR). The calculated C=O stretching frequencies in the liquid phase are in agreement with experimental values. Moreover, the wavenumbers of ν(C=O) of FBF in different solvents have been obtained and correlated with the Kirkwood-Bauer-Magat equation (KBM), the solvent acceptor numbers (ANs), and the linear solvation energy relationships (LSERs). The solvent-induced stretching vibrational frequency shifts displayed a better correlation with the LSERs than with the ANs and KBM.

  6. Li2MoO4 crystal growth from solution activated by low-frequency vibrations

    NASA Astrophysics Data System (ADS)

    Barinova, Olga; Sadovskiy, Andrey; Ermochenkov, Ivan; Kirsanova, Svetlana; Sukhanova, Ekaterina; Kostikov, Vladimir; Belov, Stanislav; Mozhevitina, Elena; Khomyakov, Andrew; Kuchuk, Zhanna; Zharikov, Eugeny; Avetissov, Igor

    2017-01-01

    The possibility of Li2MoO4 crystal growth from aqueous solutions activated by axial vibrational control (AVC) technique was investigated. It was found out that a low-frequency mechanical activation of the solution led to an increase of Li2MoO4 equilibrium solubility in aqueous solution for 11 rel% in the 25-29 °C temperature range. The changes in solution structure were analyzed in situ by Raman study of the solution. The AVC activation of solution resulted in a re-faceting of growing crystals, a smoothing of a face surface morphology and reduction of water content in the crystal.

  7. Highly Accurate Quartic Force Fields, Vibrational Frequencies, and Spectroscopic Constants for Cyclic and Linear C3H3(+)

    NASA Technical Reports Server (NTRS)

    Huang, Xinchuan; Taylor, Peter R.; Lee, Timothy J.

    2011-01-01

    High levels of theory have been used to compute quartic force fields (QFFs) for the cyclic and linear forms of the C H + molecular cation, referred to as c-C H + and I-C H +. Specifically the 33 3333 singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, CCSD(T), has been used in conjunction with extrapolation to the one-particle basis set limit and corrections for scalar relativity and core correlation have been included. The QFFs have been used to compute highly accurate fundamental vibrational frequencies and other spectroscopic constants using both vibrational 2nd-order perturbation theory and variational methods to solve the nuclear Schroedinger equation. Agreement between our best computed fundamental vibrational frequencies and recent infrared photodissociation experiments is reasonable for most bands, but there are a few exceptions. Possible sources for the discrepancies are discussed. We determine the energy difference between the cyclic and linear forms of C H +, 33 obtaining 27.9 kcal/mol at 0 K, which should be the most reliable available. It is expected that the fundamental vibrational frequencies and spectroscopic constants presented here for c-C H + 33 and I-C H + are the most reliable available for the free gas-phase species and it is hoped that 33 these will be useful in the assignment of future high-resolution laboratory experiments or astronomical observations.

  8. Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

    NASA Technical Reports Server (NTRS)

    Huang, Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.

    2013-01-01

    The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(exp-1), and the vibrational configuration interaction computed result is 3330.9 cm(exp-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

  9. Distal and proximal ligand interactions in heme proteins: Correlations between C-O and Fe-C vibrational frequencies, oxygen-17 and carbon-13 nuclear magnetic resonance chemical shifts, and oxygen-17 nuclear quadrupole coupling constants in C sup 17 O- and sup 13 CO-labeled species

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

    Ki Deok Park; Guo, K.; Adebodun, F.

    1991-03-05

    The authors have obtained the oxygen-17 nuclear magnetic resonance (NMR) spectra of a variety of C{sup 17}O-labeled heme proteins, including sperm whale (Physeter catodon) myoglobin, two synthetic sperm whale myoglobin mutants (His E7 {yields} Val E7; His E7 {yields} Phe E7), adult human hemoglobin, rabbit (Oryctolagus cuniculus) hemoglobin, horseradish (Cochlearia armoracia) peroxidase isoenzymes A and C, and Caldariomyces fumago chloroperoxidase, in some cases as a function of pH, and have determined their isotropic {sup 17}O NMR chemical shifts, {delta}{sub i}, and spin-lattice relaxation times, T{sub 1}. They have also obtained similar results on a picket fence prophyrin. The results showmore » an excellent correlation between the infrared C-O vibrational frequencies, {nu}(C-O), and {delta}{sub i}, between {nu}(C-O) and the {sup 17}O nuclear quadrupole coupling constant, and as expected between e{sup 2}qQ/h and {delta}{sub i}. The results suggest the IR and NMR measurements reflect the same interaction, which is thought to be primarily the degree of {pi}-back-bonding from Fe d to CO {pi}* orbitals, as outlined previously.« less

  10. Modulational instabilities in acetanilide taking into account both the N H and the C=O vibrational self-trappings

    NASA Astrophysics Data System (ADS)

    Simo, Elie

    2007-02-01

    A model of crystalline acetanilide, ACN accounting for the C=O and N-H vibrational self-trappings is presented. We develop a fully discrete version of ACN. We show that ACN can be described by a set of two coupled discrete nonlinear Schrödinger (DNLS) equations. Modulational instabilities (MI) are studied both theoretically and numerically. Dispersion laws for the wavenumbers and frequencies of the linear modulation waves are determined. We also derived the criterion for the existence of MI. Numerical simulations are carried out for a variety of selected wave amplitudes in the unstable zone. It is shown that instabilities grow as the wavenumbers and amplitudes of the modulated waves increase. MI grow faster in the N-H mode than in the C=O mode. Temporal evolution of the density probabilities of the vibrational excitons are obtained by the numerical integration of the coupled DNLS equations governing the ACN molecule. These investigations confirm the generation of localized modes by the phenomenon of MI and the predominance of the N-H vibrational mode in the MI process of the ACN.

  11. Theoretical study of the C-H/O-H stretching vibrations in malonaldehyde

    NASA Astrophysics Data System (ADS)

    Pitsevich, G. A.; Malevich, A. E.; Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Sablinskas, V.; Balevicius, V.

    2015-06-01

    IR and Raman spectra of the malonaldehyde molecule and its deuterated analogues were calculated in the B3LYP/cc-pVQZ approximation. Anharmonicity effects were taken into account both in the context of a standard model of the second order perturbation theory and by constructing the potential energy surfaces (PES) with a limited number of dimensions using the Cartesian coordinates of the hydroxyl hydrogen atom and the stretching coordinates of С-Н, C-D, O-H, and O-D bonds. It was shown that in each of the two equivalent forms of the molecule, besides the global minimum, an additional local minimum at the PES is formed with the energy more than 3000 cm-1 higher than the energy in the global minimum. Calculations carried out by constructing the 2D and 3D PESs indicate a high anharmonicity level and multiple manifestations of the stretching О-Н vibrations, despite the fact that the model used does not take into account the splitting of the ground-state and excited vibrational energy levels. In particular, the vibration with the frequency 3258 cm-1 may be associated with proton transfer to the region of a local minimum of energy. Comparing the results obtained with the experimental data presented in the literature allowed us to propose a new variant of bands assignments in IR and Raman spectra of the molecule in the spectral region 2500-3500 cm-1.

  12. Frequency adjustable MEMS vibration energy harvester

    NASA Astrophysics Data System (ADS)

    Podder, P.; Constantinou, P.; Amann, A.; Roy, S.

    2016-10-01

    Ambient mechanical vibrations offer an attractive solution for powering the wireless sensor nodes of the emerging “Internet-of-Things”. However, the wide-ranging variability of the ambient vibration frequencies pose a significant challenge to the efficient transduction of vibration into usable electrical energy. This work reports the development of a MEMS electromagnetic vibration energy harvester where the resonance frequency of the oscillator can be adjusted or tuned to adapt to the ambient vibrational frequency. Micro-fabricated silicon spring and double layer planar micro-coils along with sintered NdFeB micro-magnets are used to construct the electromagnetic transduction mechanism. Furthermore, another NdFeB magnet is adjustably assembled to induce variable magnetic interaction with the transducing magnet, leading to significant change in the spring stiffness and resonance frequency. Finite element analysis and numerical simulations exhibit substantial frequency tuning range (25% of natural resonance frequency) by appropriate adjustment of the repulsive magnetic interaction between the tuning and transducing magnet pair. This demonstrated method of frequency adjustment or tuning have potential applications in other MEMS vibration energy harvesters and micromechanical oscillators.

  13. The Vibrational Frequencies of CaO2, ScO2, and TiO2: A Comparison of Theoretical Methods

    NASA Technical Reports Server (NTRS)

    Rosi, Marzio; Bauschlicher, Charles W., Jr.; Chertihin, George V.; Andrews, Lester; Arnold, James O. (Technical Monitor)

    1997-01-01

    The vibrational frequencies of several states of CaO2, ScO2, and TiO2 are computed at using density functional theory (DFT), the Hatree-Fock approach, second order Moller-Plesset perturbation theory (MP2), and the complete-active-space self-consistent-field theory. Three different functionals are used in the DFT calculations, including two hybrid functionals. The coupled cluster singles and doubles approach including the effect of unlinked triples, determined using perturbation theory, is applied to selected states. The Becke-Perdew 86 functional appears to be the cost effective method of choice, although even this functional does not perform well for one state of CaO2. The MP2 approach is significantly inferior to the DFT approaches.

  14. Theoretical study of the changes in the vibrational characteristics arising from the hydrogen bonding between Vitamin C ( L-ascorbic acid) and H 2O

    NASA Astrophysics Data System (ADS)

    Dimitrova, Yordanka

    2006-02-01

    The vibrational characteristics (vibrational frequencies, infrared intensities and Raman activities) for the hydrogen-bonded system of Vitamin C ( L-ascorbic acid) with five water molecules have been predicted using ab initio SCF/6-31G(d, p) calculations and DFT (BLYP) calculations with 6-31G(d, p) and 6-31++G(d, p) basis sets. The changes in the vibrational characteristics from free monomers to a complex have been calculated. The ab initio and BLYP calculations show that the complexation between Vitamin C and five water molecules leads to large red shifts of the stretching vibrations for the monomer bonds involved in the hydrogen bonding and very strong increase in their IR intensity. The predicted frequency shifts for the stretching vibrations from Vitamin C taking part in the hydrogen bonding are up to -508 cm -1. The magnitude of the wavenumber shifts is indicative of relatively strong OH···H hydrogen-bonded interactions. In the same time the IR intensity and Raman activity of these vibrations increase upon complexation. The IR intensity increases dramatically (up to 12 times) and Raman activity increases up to three times. The ab initio and BLYP calculations show, that the symmetric OH vibrations of water molecules are more sensitive to the complexation. The hydrogen bonding leads to very large red shifts of these vibrations and very strong increase in their IR intensity. The asymmetric OH stretching vibrations of water, free from hydrogen bonding are less sensitive to the complexation than the hydrogen-bonded symmetric O sbnd H stretching vibrations. The increases of the IR intensities for these vibrations are lower and red shifts are negligible.

  15. Modeling Carbon Dioxide Vibrational Frequencies in Ionic Liquids: II. Spectroscopic Map.

    PubMed

    Daly, Clyde A; Berquist, Eric J; Brinzer, Thomas; Garrett-Roe, Sean; Lambrecht, Daniel S; Corcelli, Steven A

    2016-12-15

    The primary challenge for connecting molecular dynamics (MD) simulations to linear and two-dimensional infrared measurements is the calculation of the vibrational frequency for the chromophore of interest. Computing the vibrational frequency at each time step of the simulation with a quantum mechanical method like density functional theory (DFT) is generally prohibitively expensive. One approach to circumnavigate this problem is the use of spectroscopic maps. Spectroscopic maps are empirical relationships that correlate the frequency of interest to properties of the surrounding solvent that are readily accessible in the MD simulation. Here, we develop a spectroscopic map for the asymmetric stretch of CO 2 in the 1-butyl-3-methylimidazolium hexafluorophosphate ([C 4 C 1 im][PF 6 ]) ionic liquid (IL). DFT is used to compute the vibrational frequency of 500 statistically independent CO 2 -[C 4 C 1 im][PF 6 ] clusters extracted from an MD simulation. When the map was tested on 500 different CO 2 -[C 4 C 1 im][PF 6 ] clusters, the correlation coefficient between the benchmark frequencies and the predicted frequencies was R = 0.94, and the root-mean-square error was 2.7 cm -1 . The calculated distribution of frequencies also agrees well with experiment. The spectroscopic map required information about the CO 2 angle, the electrostatics of the surrounding solvent, and the Lennard-Jones interaction between the CO 2 and the IL. The contribution of each term in the map was investigated using symmetry-adapted perturbation theory calculations.

  16. Reducing variable frequency vibrations in a powertrain system with an adaptive tuned vibration absorber group

    NASA Astrophysics Data System (ADS)

    Gao, Pu; Xiang, Changle; Liu, Hui; Zhou, Han

    2018-07-01

    Based on a multiple degrees of freedom dynamic model of a vehicle powertrain system, natural vibration analyses and sensitivity analyses of the eigenvalues are performed to determine the key inertia for each natural vibration of a powertrain system. Then, the results are used to optimize the installation position of each adaptive tuned vibration absorber. According to the relationship between the variable frequency torque excitation and the natural vibration of a powertrain system, the entire vibration frequency band is divided into segments, and the auxiliary vibration absorber and dominant vibration absorber are determined for each sensitive frequency band. The optimum parameters of the auxiliary vibration absorber are calculated based on the optimal frequency ratio and the optimal damping ratio of the passive vibration absorber. The instantaneous change state of the natural vibrations of a powertrain system with adaptive tuned vibration absorbers is studied, and the optimized start and stop tuning frequencies of the adaptive tuned vibration absorber are obtained. These frequencies can be translated into the optimum parameters of the dominant vibration absorber. Finally, the optimal tuning scheme for the adaptive tuned vibration absorber group, which can be used to reduce the variable frequency vibrations of a powertrain system, is proposed, and corresponding numerical simulations are performed. The simulation time history signals are transformed into three-dimensional information related to time, frequency and vibration energy via the Hilbert-Huang transform (HHT). A comprehensive time-frequency analysis is then conducted to verify that the optimal tuning scheme for the adaptive tuned vibration absorber group can significantly reduce the variable frequency vibrations of a powertrain system.

  17. On the correlation between bond-length change and vibrational frequency shift in halogen-bonded complexes

    NASA Astrophysics Data System (ADS)

    Wang, Weizhou; Zhang, Yu; Ji, Baoming; Tian, Anmin

    2011-06-01

    The C-Hal (Hal = Cl, Br, or I) bond-length change and the corresponding vibrational frequency shift of the C-Hal stretch upon the C-Hal ⋯Y (Y is the electron donor) halogen bond formation have been determined by using density functional theory computations. Plots of the C-Hal bond-length change versus the corresponding vibrational frequency shift of the C-Hal stretch all give straight lines. The coefficients of determination range from 0.94366 to 0.99219, showing that the correlation between the C-Hal bond-length change and the corresponding frequency shift is very good in the halogen-bonded complexes. The possible effects of vibrational coupling, computational method, and anharmonicity on the bond-length change-frequency shift correlation are discussed in detail.

  18. 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.

  19. Perceptual Space of Superimposed Dual-Frequency Vibrations in the Hands.

    PubMed

    Hwang, Inwook; Seo, Jeongil; Choi, Seungmoon

    2017-01-01

    The use of distinguishable complex vibrations that have multiple spectral components can improve the transfer of information by vibrotactile interfaces. We investigated the qualitative characteristics of dual-frequency vibrations as the simplest complex vibrations compared to single-frequency vibrations. Two psychophysical experiments were conducted to elucidate the perceptual characteristics of these vibrations by measuring the perceptual distances among single-frequency and dual-frequency vibrations. The perceptual distances of dual-frequency vibrations between their two frequency components along their relative intensity ratio were measured in Experiment I. The estimated perceptual spaces for three frequency conditions showed non-linear perceptual differences between the dual-frequency and single-frequency vibrations. A perceptual space was estimated from the measured perceptual distances among ten dual-frequency compositions and five single-frequency vibrations in Experiment II. The effect of the component frequency and the frequency ratio was revealed in the perceptual space. In a percept of dual-frequency vibration, the lower frequency component showed a dominant effect. Additionally, the perceptual difference among single-frequency and dual-frequency vibrations were increased with a low relative difference between two frequencies of a dual-frequency vibration. These results are expected to provide a fundamental understanding about the perception of complex vibrations to enrich the transfer of information using vibrotactile stimuli.

  20. Vibrational mode frequencies of H2S and H2O adsorbed on Ge(0 0 1)-(2 × 1) surfaces

    NASA Astrophysics Data System (ADS)

    Hartnett, M.; Fahy, S.

    2015-02-01

    The equilibrium geometry and vibrational modes of H2S and H2O-terminated Ge(0 0 1)-(2 × 1) surfaces are calculated in a supercell approach using first-principles density functional theory in the local density (LDA), generalized gradient (GGA) approximations and van der Waals (vdW) interactions. Mode frequencies are found using the frozen phonon method. For the H2S-passivated surface, the calculated frequencies in LDA (GGA) are 2429 cm-1 (2490) for the Hsbnd S stretch mode, 712 cm-1 (706) for the Hsbnd S bond bending mode, 377 cm-1 (36) for the Gesbnd S stretch mode and 328 cm-1 (337) for Hsbnd S wag mode. Frequencies for the H2O passivated surface are 3590 cm-1 (3600) for the Hsbnd O stretch mode, 921 cm-1 (947) for the bending mode, 609 cm-1 (559) for the Gesbnd O stretch, 1995 cm-1 (1991) for the Gesbnd H stretch mode, 498 cm-1 (478) for the Gesbnd H bending mode and 342 cm-1 (336) for the Hsbnd O wag mode. The differences between the functionals including vdW terms and the LDA or GGA are less than the differences between LDA and GGA for the vibrational mode frequencies.

  1. Individual Optimal Frequency in Whole-Body Vibration: Effect of Protocol, Joint Angle, and Fatiguing Exercise.

    PubMed

    Carlucci, Flaminia; Felici, Francesco; Piccinini, Alberto; Haxhi, Jonida; Sacchetti, Massimo

    2016-12-01

    Carlucci, F, Felici, F, Piccinini, A, Haxhi, J, and Sacchetti, M. Individual optimal frequency in whole-body vibration: effect of protocol, joint angle, and fatiguing exercise. J Strength Cond Res 30(12): 3503-3511, 2016-Recent studies have shown the importance of individualizing the vibration intervention to produce greater effects on the neuromuscular system in less time. The purpose of this study was to assess the individual optimal vibration frequency (OVF) corresponding to the highest muscle activation (RMSmax) during vibration at different frequencies, comparing different protocols. Twenty-nine university students underwent 3 continuous (C) and 2 random (R) different vibrating protocols, maintaining a squat position on a vibration platform. The C protocol lasted 50 seconds and involved the succession of ascending frequencies from 20 to 55 Hz, every 5 seconds. The same protocol was performed twice, having the knee angle at 120° (C) and 90° (C90), to assess the effect of joint angle and after a fatiguing squatting exercise (CF) to evaluate the influence of fatigue on OVF assessment. In the random protocols, vibration time was 20 seconds with a 2-minute (R2) and a 4-minute (R4) pauses between tested frequencies. Muscle activation and OVF values did not differ significantly in the C, R2, and R4 protocols. RMSmax was higher in C90 (p < 0.001) and in CF (p = 0.04) compared with the C protocol. Joint angle and fatiguing exercise had no effect on OVF. In conclusion, the shorter C protocol produced similar myoelectrical activity in the R2 and the R4 protocols, and therefore, it could be equally valid in identifying the OVF with considerable time efficiency. Knee joint angle and fatiguing exercise had an effect on surface electromyography response during vibration but did not affect OVF identification significantly.

  2. The Evolution of Ih C_60 Vibrational Modes in Planar Polymerized C_60.

    NASA Astrophysics Data System (ADS)

    Adams, G. B.; Page, J. B.

    2001-03-01

    We have used first-principles local-orbital-based molecular dynamics(O.F. Sankey and D.J. Niklewski, Phys. Rev. B40), 3979 (1989). to simulate a wide variety of planar polymers of C_60, including the orthorhombic (O), tetrahedral (T), and rhombohedral (R) polymers which have been reported experimentally. It has been customary to assume that the vibrational modes of the polymers are moderately perturbed Ih C_60 vibrational modes.(See, for example V.A. Davydov et al.), Phys. Rev. B61, 11936 (2000) or V.C. Long et al., Phys. Rev. B 61, 13191 (2000). To test this assumption, we have expanded the polymer vibrational eigenvectors in the eigenvectors of Ih C_60, thus determining quantitatively the percentage contribution of each Ih C_60 mode to each polymer vibrational mode. We find that for many polymer modes the assumption is not justified. We report our results for selected Raman- and IR-active vibrational modes of the observed polymers.

  3. The electron affinities of C{sub 3}O and C{sub 4}O

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

    Rienstra-Kiracofe, J.C.; Ellison, G.B.; Hoffman, B.C.

    The authors predict the adiabatic electron affinities of C{sub 3}O and C{sub 4}O based on electronic structure calculations, using a large triple-{zeta} basis set with polarization and diffuse functions (TZ2Pf+diff) with the SCF, CCSD, and CCSD(T) methods as well as with the aug-cc-pVDZ and aug-cc-pVTZ basis sets. The results imply electron affinities for C{sub 3}O and C{sub 4}O; EA(C{sub 3}O) = 0.93 eV {+-} 0.10 and EA(C{sub 4}O) = 2.99 {+-} 0.10. The EA(C{sub 3}O) is 0.41 eV lower than the experimental value of 1.34 {+-} 0.15 eV, while the EA(C{sub 4}O) is 0.94 eV higher than the experimental valuemore » of 2.05 {+-} 0.15 eV. Optimized geometries for all species at each level of theory are given, and harmonic vibrational frequencies are reported at the SCF/TZ2Pf+diff and CCSD/aug-cc-pVDZ levels.« less

  4. Driving an Active Vibration Balancer to Minimize Vibrations at the Fundamental and Harmonic Frequencies

    NASA Technical Reports Server (NTRS)

    Holliday, Ezekiel S. (Inventor)

    2014-01-01

    Vibrations of a principal machine are reduced at the fundamental and harmonic frequencies by driving the drive motor of an active balancer with balancing signals at the fundamental and selected harmonics. Vibrations are sensed to provide a signal representing the mechanical vibrations. A balancing signal generator for the fundamental and for each selected harmonic processes the sensed vibration signal with adaptive filter algorithms of adaptive filters for each frequency to generate a balancing signal for each frequency. Reference inputs for each frequency are applied to the adaptive filter algorithms of each balancing signal generator at the frequency assigned to the generator. The harmonic balancing signals for all of the frequencies are summed and applied to drive the drive motor. The harmonic balancing signals drive the drive motor with a drive voltage component in opposition to the vibration at each frequency.

  5. Vibration amplitude sonoelastography lesion imaging using low-frequency audible vibration

    NASA Astrophysics Data System (ADS)

    Taylor, Lawrence; Parker, Kevin

    2003-04-01

    Sonoelastography or vibration amplitude imaging is an ultrasound imaging technique in which low-amplitude, low-frequency shear waves, less than 0.1-mm displacement and 1-kHz frequency, are propagated deep into tissue, while real time Doppler techniques are used to image the resulting vibration pattern. Finite-element studies and experiments on tissue-mimicking phantoms verify that a discrete hard inhomogeneity present within a larger region of soft tissue will cause a decrease in the vibration field at its location. This forms the basis for tumor detection using sonoelastography. Real time relative imaging of the vibration field is possible because a vibrating particle will phase modulate an ultrasound signal. The particle's amplitude is directly proportional to the spectral spread of the reflected Doppler echo. Real time estimation of the variance of the Doppler power spectrum at each pixel allows the vibration field to be imaged. Results are shown for phantom lesions, thermal lesions, and 3-D in vitro and 2-D in vivo prostate cancer. MRI and whole mount histology is used to validate the system accuracy.

  6. Nonlinear convergence active vibration absorber for single and multiple frequency vibration control

    NASA Astrophysics Data System (ADS)

    Wang, Xi; Yang, Bintang; Guo, Shufeng; Zhao, Wenqiang

    2017-12-01

    This paper presents a nonlinear convergence algorithm for active dynamic undamped vibration absorber (ADUVA). The damping of absorber is ignored in this algorithm to strengthen the vibration suppressing effect and simplify the algorithm at the same time. The simulation and experimental results indicate that this nonlinear convergence ADUVA can help significantly suppress vibration caused by excitation of both single and multiple frequency. The proposed nonlinear algorithm is composed of equivalent dynamic modeling equations and frequency estimator. Both the single and multiple frequency ADUVA are mathematically imitated by the same mechanical structure with a mass body and a voice coil motor (VCM). The nonlinear convergence estimator is applied to simultaneously satisfy the requirements of fast convergence rate and small steady state frequency error, which are incompatible for linear convergence estimator. The convergence of the nonlinear algorithm is mathematically proofed, and its non-divergent characteristic is theoretically guaranteed. The vibration suppressing experiments demonstrate that the nonlinear ADUVA can accelerate the convergence rate of vibration suppressing and achieve more decrement of oscillation attenuation than the linear ADUVA.

  7. Computational IR spectroscopy of water: OH stretch frequencies, transition dipoles, and intermolecular vibrational coupling constants

    NASA Astrophysics Data System (ADS)

    Choi, Jun-Ho; Cho, Minhaeng

    2013-05-01

    The Hessian matrix reconstruction method initially developed to extract the basis mode frequencies, vibrational coupling constants, and transition dipoles of the delocalized amide I, II, and III vibrations of polypeptides and proteins from quantum chemistry calculation results is used to obtain those properties of delocalized O-H stretch modes in liquid water. Considering the water symmetric and asymmetric O-H stretch modes as basis modes, we here develop theoretical models relating vibrational frequencies, transition dipoles, and coupling constants of basis modes to local water configuration and solvent electric potential. Molecular dynamics simulation was performed to generate an ensemble of water configurations that was in turn used to construct vibrational Hamiltonian matrices. Obtaining the eigenvalues and eigenvectors of the matrices and using the time-averaging approximation method, which was developed by the Skinner group, to calculating the vibrational spectra of coupled oscillator systems, we could numerically simulate the O-H stretch IR spectrum of liquid water. The asymmetric line shape and weak shoulder bands were quantitatively reproduced by the present computational procedure based on vibrational exciton model, where the polarization effects on basis mode transition dipoles and inter-mode coupling constants were found to be crucial in quantitatively simulating the vibrational spectra of hydrogen-bond networking liquid water.

  8. Correlation of vibrational modes and DX-like centers in GaN : O

    NASA Astrophysics Data System (ADS)

    Wetzel, C.; , J. W. Ager, III; Topf, M.; Meyer, B. K.; Amano, H.; Akasaki, I.

    1999-12-01

    Vibrational modes in O-doped GaN have been observed at 544 cm-1 in Raman spectroscopy. Under perturbation of large hydrostatic pressure the mode appears as a set of three different lines Q1⋯3 whose relative intensities change by pressure. A switching between the modes occurs near 10 and 20 GPa and is found to correlate with the electron capture process to the DX-like state of O. We employ a simple oscillator model to predict the vibrational frequencies of ON. A localization energy of 23 cm-1 with respect to the optical phonon band is predicted. This is in reasonable agreement with the observed vibrational frequencies. Therefore, we assign the Q modes to the local vibration of O on N site in GaN. Modes Q1⋯3 are tentatively assigned to three different charge states of the O defect center.

  9. Distributed measurement of acoustic vibration location with frequency multiplexed phase-OTDR

    NASA Astrophysics Data System (ADS)

    Iida, Daisuke; Toge, Kunihiro; Manabe, Tetsuya

    2017-07-01

    All-fiber distributed vibration sensing is attracting attention in relation to structural health monitoring because it is cost effective, offers high coverage of the monitored area and can detect various structural problems. And in particular the demand for high-speed vibration sensing operating at more than 10 kHz has increased because high frequency vibration indicates high energy and severe trouble in the monitored object. Optical fiber vibration sensing with phase-sensitive optical time domain reflectometry (phase-OTDR) has long been studied because it can be used for distributed vibration sensing in optical fiber. However, pulse reflectometry such as OTDR cannot measure high-frequency vibration whose cycle is shorter than the repetition time of the OTDR. That is, the maximum detectable frequency depends on fiber length. In this paper, we describe a vibration sensing technique with frequency-multiplexed OTDR that can detect the entire distribution of a high-frequency vibration thus allowing us to locate a high-speed vibration point. We can measure the position, frequency and dynamic change of a high-frequency vibration whose cycle is shorter than the repetition time. Both frequency and position are visualized simultaneously for a 5-km fiber with an 80-kHz frequency response and a 20-m spatial resolution.

  10. Frequency identification of vibration signals using video camera image data.

    PubMed

    Jeng, Yih-Nen; Wu, Chia-Hung

    2012-10-16

    This study showed that an image data acquisition system connecting a high-speed camera or webcam to a notebook or personal computer (PC) can precisely capture most dominant modes of vibration signal, but may involve the non-physical modes induced by the insufficient frame rates. Using a simple model, frequencies of these modes are properly predicted and excluded. Two experimental designs, which involve using an LED light source and a vibration exciter, are proposed to demonstrate the performance. First, the original gray-level resolution of a video camera from, for instance, 0 to 256 levels, was enhanced by summing gray-level data of all pixels in a small region around the point of interest. The image signal was further enhanced by attaching a white paper sheet marked with a black line on the surface of the vibration system in operation to increase the gray-level resolution. Experimental results showed that the Prosilica CV640C CMOS high-speed camera has the critical frequency of inducing the false mode at 60 Hz, whereas that of the webcam is 7.8 Hz. Several factors were proven to have the effect of partially suppressing the non-physical modes, but they cannot eliminate them completely. Two examples, the prominent vibration modes of which are less than the associated critical frequencies, are examined to demonstrate the performances of the proposed systems. In general, the experimental data show that the non-contact type image data acquisition systems are potential tools for collecting the low-frequency vibration signal of a system.

  11. Frequency Identification of Vibration Signals Using Video Camera Image Data

    PubMed Central

    Jeng, Yih-Nen; Wu, Chia-Hung

    2012-01-01

    This study showed that an image data acquisition system connecting a high-speed camera or webcam to a notebook or personal computer (PC) can precisely capture most dominant modes of vibration signal, but may involve the non-physical modes induced by the insufficient frame rates. Using a simple model, frequencies of these modes are properly predicted and excluded. Two experimental designs, which involve using an LED light source and a vibration exciter, are proposed to demonstrate the performance. First, the original gray-level resolution of a video camera from, for instance, 0 to 256 levels, was enhanced by summing gray-level data of all pixels in a small region around the point of interest. The image signal was further enhanced by attaching a white paper sheet marked with a black line on the surface of the vibration system in operation to increase the gray-level resolution. Experimental results showed that the Prosilica CV640C CMOS high-speed camera has the critical frequency of inducing the false mode at 60 Hz, whereas that of the webcam is 7.8 Hz. Several factors were proven to have the effect of partially suppressing the non-physical modes, but they cannot eliminate them completely. Two examples, the prominent vibration modes of which are less than the associated critical frequencies, are examined to demonstrate the performances of the proposed systems. In general, the experimental data show that the non-contact type image data acquisition systems are potential tools for collecting the low-frequency vibration signal of a system. PMID:23202026

  12. Terahertz laser spectroscopy of the water dimer intermolecular vibrations. II. (H{sub 2}O){sub 2}

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

    Braly, L. B.; Liu, K.; Brown, M. G.

    Terahertz VRT laser spectra of four (H{sub 2}O){sub 2} intermolecular vibrations consisting of 362 transitions have been measured between 87 and 108 cm{sup -1} with ca. 2 MHz precision. The results differ both qualitatively and quantitatively from the predictions of dimer potentials tested. The spectra also reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as among different vibrations. In particular the 102.1 cm{sup -1} (H{sub 2}O){sub 2} vibration assigned as the acceptor wag ({nu}{sub 8})more » exhibits two types of perturbations. In one of these a component of K{sub a}=1 coupling with a tunneling component of K{sub a}=0 in the 108 cm{sup -1} acceptor twist ({nu}{sub 11}) vibration. There is also an indication that the 103.1 cm{sup -1} (H{sub 2}O){sub 2} band assigned as the donor in-plane bend ({nu}{sub 6}) is coupled to the acceptor wag resulting in a lower of the in-plane bend frequency and a higher acceptor wag frequency. Detailed analysis of the VRT levels confirms the extreme nonrigidity of this complex, indicating that the use of approximate models with reduced dimensionality to calculate its properties are likely to fail. (c) 2000 American Institute of Physics.« less

  13. Pronounced low-frequency vibrational thermal transport in C60 fullerite realized through pressure-dependent molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Giri, Ashutosh; Hopkins, Patrick E.

    2017-12-01

    Fullerene condensed-matter solids can possess thermal conductivities below their minimum glassy limit while theorized to be stiffer than diamond when crystallized under pressure. These seemingly disparate extremes in thermal and mechanical properties raise questions into the pressure dependence on the thermal conductivity of C60 fullerite crystals, and how the spectral contributions to vibrational thermal conductivity changes under applied pressure. To answer these questions, we investigate the effect of strain on the thermal conductivity of C60 fullerite crystals via pressure-dependent molecular dynamics simulations under the Green-Kubo formalism. We show that the thermal conductivity increases rapidly with compressive strain, which demonstrates a power-law relationship similar to their stress-strain relationship for the C60 crystals. Calculations of the density of states for the crystals under compressive strains reveal that the librational modes characteristic in the unstrained case are diminished due to densification of the molecular crystal. Over a large compression range (0-20 GPa), the Leibfried-Schlömann equation is shown to adequately describe the pressure dependence of thermal conductivity, suggesting that low-frequency intermolecular vibrations dictate heat flow in the C60 crystals. A spectral decomposition of the thermal conductivity supports this hypothesis.

  14. High-Power Piezoelectric Vibration Characteristics of Textured SrBi2Nb2O9 Ceramics

    NASA Astrophysics Data System (ADS)

    Kawada, Shinichiro; Ogawa, Hirozumi; Kimura, Masahiko; Shiratsuyu, Kosuke; Niimi, Hideaki

    2006-09-01

    The high-power piezoelectric vibration characteristics of textured SrBi2Nb2O9 (SBN) ceramics, that is bismuth-layer-structured ferroelectrics, were studied in the longitudinal mode (33-mode) by constant current driving method and compared with those of ordinary randomly oriented SBN and widely used Pb(Ti,Zr)O3 (PZT) ceramics. In the case of textured SBN ceramics, resonant properties are stable up to a vibration velocity of 2.6 m/s. Vibration velocity at resonant frequency increases proportionally with the applied electric field, and resonant frequency is almost constant in high-vibration-velocity driving. On the other hand, in the case of randomly oriented SBN and PZT ceramics, the increase in vibration velocity is not proportional to the applied high electric field, and resonant frequency decreases with increasing vibration velocity. The resonant sharpness Q of textured SBN ceramics is about 2000, even at a vibration velocity of 2.6 m/s. Therefore, textured SBN ceramics are good candidates for high-power piezoelectric applications.

  15. Capacitance-Based Frequency Adjustment of Micro Piezoelectric Vibration Generator

    PubMed Central

    Mao, Xinhua; He, Qing; Li, Hong; Chu, Dongliang

    2014-01-01

    Micro piezoelectric vibration generator has a wide application in the field of microelectronics. Its natural frequency is unchanged after being manufactured. However, resonance cannot occur when the natural frequencies of a piezoelectric generator and the source of vibration frequency are not consistent. Output voltage of the piezoelectric generator will sharply decline. It cannot normally supply power for electronic devices. In order to make the natural frequency of the generator approach the frequency of vibration source, the capacitance FM technology is adopted in this paper. Different capacitance FM schemes are designed by different locations of the adjustment layer. The corresponding capacitance FM models have been established. Characteristic and effect of the capacitance FM have been simulated by the FM model. Experimental results show that the natural frequency of the generator could vary from 46.5 Hz to 42.4 Hz when the bypass capacitance value increases from 0 nF to 30 nF. The natural frequency of a piezoelectric vibration generator could be continuously adjusted by this method. PMID:25133237

  16. Epidemiological evidence for new frequency weightings of hand-transmitted vibration.

    PubMed

    Bovenzi, Massimo

    2012-01-01

    This paper provides an overview of the exposure-response relationship for the vascular component of the hand-arm vibration syndrome, called vibration-induced white finger (VWF). Over the past two decades, several epidemiological studies have shown a poor agreement between the risk for VWF observed in various occupational groups and that predicted by models included in annexes to International Standard ISO 5349 (ISO 5349:1986, ISO 5349-1:2001). Either overestimation or underestimation of the occurrence of VWF have been reported by investigators. It has been argued that the current ISO frequency-weighting curve for hand-transmitted vibration, which assumes that vibration-induced adverse health effects are inversely related to the frequency of vibration between 16 and 1250 Hz, may be unsuitable for the assessment of VWF. To investigate this issue, a prospective cohort study was carried out to explore the performance of four alternative frequency weightings for hand-transmitted vibration to predict the incidence of VWF in groups of forestry and stone workers. The findings of this study suggested that measures of vibration exposure which give relatively more weight to intermediate and high frequency vibration produced better predictions of the incidence of VWF than that obtained with the frequency weighting currently recommended in International Standard ISO 5349-1:2001.

  17. Vibrational Dynamics of Interfacial Water by Free Induction Decay Sum Frequency Generation (FID-SFG) at the Al2O3(1120)/H2O Interface.

    PubMed

    Boulesbaa, Abdelaziz; Borguet, Eric

    2014-02-06

    The dephasing dynamics of a vibrational coherence may reveal the interactions of chemical functional groups with their environment. To investigate this process at a surface, we employ free induction decay sum frequency generation (FID-SFG) to measure the time that it takes for free OH stretch oscillators at the charged (pH ≈ 13, KOH) interface of alumina/water (Al2O3/H2O) to lose their collective coherence. By employing noncollinear optical parametric amplification (NOPA) technology and nonlinear vibrational spectroscopy, we showed that the single free OH peak actually corresponds to two distinct oscillators oriented opposite to each other and measured the total dephasing time, T2, of the free OH stretch modes at the Al2O3/H2O interface with a sub-40 fs temporal resolution. Our results suggested that the free OH oscillators associated with interfacial water dephase on the time scale of 89.4 ± 6.9 fs, whereas the homogeneous dephasing of interfacial alumina hydroxyls is an order of magnitude slower.

  18. Ocular vestibular evoked myogenic potentials to vertex low frequency vibration as a diagnostic test for superior canal dehiscence.

    PubMed

    Verrecchia, Luca; Westin, Magnus; Duan, Maoli; Brantberg, Krister

    2016-04-01

    To explore ocular vestibular evoked myogenic potentials (oVEMP) to low-frequency vertex vibration (125 Hz) as a diagnostic test for superior canal dehiscence (SCD) syndrome. The oVEMP using 125 Hz single cycle bone-conducted vertex vibration were tested in 15 patients with unilateral superior canal dehiscence (SCD) syndrome, 15 healthy controls and in 20 patients with unilateral vestibular loss due to vestibular neuritis. Amplitude, amplitude asymmetry ratio, latency and interaural latency difference were parameters of interest. The oVEMP amplitude was significantly larger in SCD patients when affected sides (53 μVolts) were compared to non-affected (17.2 μVolts) or compared to healthy controls (13.6 μVolts). Amplitude larger than 33.8 μVolts separates effectively the SCD ears from the healthy ones with sensitivity of 87% and specificity of 93%. The other three parameters showed an overlap between affected SCD ears and non-affected as well as between SCD ears and those in the two control groups. oVEMP amplitude distinguishes SCD ears from healthy ones using low-frequency vibration stimuli at vertex. Amplitude analysis of oVEMP evoked by low-frequency vertex bone vibration stimulation is an additional indicator of SCD syndrome and might serve for diagnosing SCD patients with coexistent conductive middle ear problems. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  19. Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.

    PubMed

    Dey, Arghya; Mondal, Sohidul Islam; Sen, Saumik; Ghosh, Debashree; Patwari, G Naresh

    2014-12-14

    The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

  20. Deviations of frequency and the mode of vibration of commercially available whole-body vibration training devices.

    PubMed

    Kaeding, T S

    2015-06-01

    Research in the field of whole body vibration (WBV) training and the use of it in practice might be hindered by the fact that WBV training devices generate and transmit frequencies and/or modes of vibration which are different to preset adjustments. This research project shall clarify how exact WBV devices apply the by manufacturer information promised preset frequency and mode of vibration. Nine professional devices for WBV training were tested by means of a tri-axial accelerometer. The accelerations of each device were recorded under different settings with a tri-axial accelerometer. Beneath the measurement of different combinations of preset frequency and amplitude the repeatability across 3 successive measurements with the same preset conditions and one measurement under loaded condition were carried out. With 3 exceptions (both Board 3000 & srt medical PRO) we did not find noteworthy divergences between preset and actual applied frequencies. In these 3 devices we found divergences near -25%. Loading the devices did not affect the applied frequency or mode of vibration. There were no important divergences measurable for the applied frequency and mode of vibration regarding repeatability. The results of our measurements cannot be generalized as we only measured one respectively at most two devices of one model in terms of a random sample. Based on these results we strongly recommend that user in practice and research should analyse their WBV training devices regarding applied frequency and mode of vibration.

  1. 2D heterodyne-detected sum frequency generation study on the ultrafast vibrational dynamics of H{sub 2}O and HOD water at charged interfaces

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

    Inoue, Ken-ichi; Singh, Prashant C.; Nihonyanagi, Satoshi

    2015-06-07

    Two-dimensional heterodyne-detected vibrational sum-frequency generation (2D HD-VSFG) spectroscopy is applied to study the ultrafast vibrational dynamics of water at positively charged aqueous interfaces, and 2D HD-VSFG spectra of cetyltrimethylammonium bromide (CTAB)/water interfaces in the whole hydrogen-bonded OH stretch region (3000 cm{sup −1} ≤ ω{sub pump} ≤ 3600 cm{sup −1}) are measured. 2D HD-VSFG spectrum of the CTAB/isotopically diluted water (HOD-D{sub 2}O) interface exhibits a diagonally elongated bleaching lobe immediately after excitation, which becomes round with a time constant of ∼0.3 ps due to spectral diffusion. In contrast, 2D HD-VSFG spectrum of the CTAB/H{sub 2}O interface at 0.0 ps clearly showsmore » two diagonal peaks and their cross peaks in the bleaching region, corresponding to the double peaks observed at 3230 cm{sup −1} and 3420 cm{sup −1} in the steady-state HD-VSFG spectrum. Horizontal slices of the 2D spectrum show that the relative intensity of the two peaks of the bleaching at the CTAB/H{sub 2}O interface gradually change with the change of the pump frequency. We simulate the pump-frequency dependence of the bleaching feature using a model that takes account of the Fermi resonance and inhomogeneity of the OH stretch vibration, and the simulated spectra reproduce the essential features of the 2D HD-VSFG spectra of the CTAB/H{sub 2}O interface. The present study demonstrates that heterodyne detection of the time-resolved VSFG is critically important for studying the ultrafast dynamics of water interfaces and for unveiling the underlying mechanism.« less

  2. C-O and O-H Bond Activation of Methanole by Lanthanum

    NASA Astrophysics Data System (ADS)

    Silva, Ruchira; Hewage, Dilrukshi; Yang, Dong-Sheng

    2012-06-01

    The interaction between methanol (CH_3OH) molecules and laser-vaporized La atoms resulted in the cleavage of C-O and O-H bonds and the formation of three major products, LaH_2O_2, LaCH_4O_2 and LaC_2H_6O_2, in a supersonic molecular beam. These products were identified by time-of-flight mass spectrometry, and their electronic spectra were obtained using mass-analyzed threshold ionization (MATI) spectroscopy. From the MATI spectra, adiabatic ionization energies of the three complexes were measured to be 40136 (5), 39366 (5) and 38685 (5) cm-1 for LaH_2O_2, LaCH_4O_2 and LaC_2H_6O_2, respectively. The ionization energies of these complexes decrease as the size of the coordinated organic fragments increases. The most active vibrational transitions of all three complexes were observed to be the M-O stretches in the ionic state. A metal-ligand bending mode with a frequency of 127 cm-1 was also observed for [LaH_2O_2]^+. However, the spectra of the other two complexes were less resolved, due to the existence of a large number of low frequency modes, which could be thermally excited even in the supersonic molecular beams, and of multiple rotational isomers formed by the free rotation of the methyl group in these systems. The electronic transitions responsible for the observed spectra were identified as ^1A_1 (C2v) ← ^2A_1 (C2v) for LaH_2O_2 and ^1A (C_1) ← ^2A (C_1) for LaCH_4O_2 and LaC_2H_6O_2.

  3. Study of L-ascorbic acid (vitamin C)/H 2O mixture across glass transition

    NASA Astrophysics Data System (ADS)

    Migliardo, F.; Branca, C.; Faraone, A.; Magazù, S.; Migliardo, P.

    2001-07-01

    In this paper, we report quasi elastic neutron scattering (QENS) spectra of vitamin C aqueous solutions, obtained using MIBEMOL spectrometer (LLB). The main purpose of this work is to characterize the relaxational and vibrational properties of the Vitamin C/H 2O system below and above the glass transition temperature by analysing the low-frequency neutron scattering spectra. The determination of the relative weight of vibrational over relaxational contributions allows to get information on the fragility degree of this peculiar hydrogen-bond system.

  4. Frequency Up-Converted Low Frequency Vibration Energy Harvester Using Trampoline Effect

    NASA Astrophysics Data System (ADS)

    Ju, S.; Chae, S. H.; Choi, Y.; Jun, S.; Park, S. M.; Lee, S.; Lee, H. W.; Ji, C.-H.

    2013-12-01

    This paper presents a non-resonant vibration energy harvester based on magnetoelectric transduction mechanism and mechanical frequency up-conversion using trampoline effect. The harvester utilizes a freely movable spherical permanent magnet which bounces off the aluminum springs integrated at both ends of the cavity, achieving frequency up-conversion from low frequency input vibration. Moreover, bonding method of magnetoelectric laminate composite has been optimized to provide higher strain to piezoelectric material and thus obtain a higher output voltage. A proof-of-concept energy harvesting device has been fabricated and tested. Maximum open-circuit voltage of 11.2V has been obtained and output power of 0.57μW has been achieved for a 50kΩ load, when the fabricated energy harvester was hand-shaken.

  5. Terahertz laser spectroscopy of the water dimer intermolecular vibrations. II. (H2O)2

    NASA Astrophysics Data System (ADS)

    Braly, L. B.; Liu, K.; Brown, M. G.; Keutsch, F. N.; Fellers, R. S.; Saykally, R. J.

    2000-06-01

    Terahertz VRT laser spectra of four (H2O)2 intermolecular vibrations consisting of 362 transitions have been measured between 87 and 108 cm-1 with ca. 2 MHz precision. The results differ both qualitatively and quantitatively from the predictions of dimer potentials tested. The spectra also reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as among different vibrations. In particular the 102.1 cm-1 (H2O)2 vibration assigned as the acceptor wag (ν8) exhibits two types of perturbations. In one of these a component of Ka=1 coupling with a tunneling component of Ka=0 in the 108 cm-1 acceptor twist (ν11) vibration. There is also an indication that the 103.1 cm-1 (H2O)2 band assigned as the donor in-plane bend (ν6) is coupled to the acceptor wag resulting in a lower of the in-plane bend frequency and a higher acceptor wag frequency. Detailed analysis of the VRT levels confirms the extreme nonrigidity of this complex, indicating that the use of approximate models with reduced dimensionality to calculate its properties are likely to fail.

  6. Effect of vibration frequency on biopsy needle insertion force.

    PubMed

    Tan, Lei; Qin, Xuemei; Zhang, Qinhe; Zhang, Hongcai; Dong, Hongjian; Guo, Tuodang; Liu, Guowei

    2017-05-01

    Needle insertion is critical in many clinical medicine procedures, such as biopsy, brachytherapy, and injection therapy. A platform with two degrees of freedom was set up to study the effect of vibration frequency on needle insertion force. The gel phantom deformation at the needle cutting edge and the Voigt model are utilized to develop a dynamic model to explain the relationship between the insertion force and needle-tip velocity. The accuracy of this model was verified by performing needle insertions into phantom gel. The effect of vibration on insertion force can be explained as the vibration increasing the needle-tip velocity and subsequently increasing the insertion force. In a series of needle insertion experiments with different vibration frequencies, the peak forces were selected for comparison to explore the effect of vibration frequency on needle insertion force. The experimental results indicate that the insertion force at 500Hz increases up to 17.9% compared with the force at 50Hz. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

  7. Hypersonic vibrations of Ag@SiO2 (cubic core)-shell nanospheres.

    PubMed

    Sun, Jing Ya; Wang, Zhi Kui; Lim, Hock Siah; Ng, Ser Choon; Kuok, Meng Hau; Tran, Toan Trong; Lu, Xianmao

    2010-12-28

    The intriguing optical and catalytic properties of metal-silica core-shell nanoparticles, inherited from their plasmonic metallic cores together with the rich surface chemistry and increased stability offered by their silica shells, have enabled a wide variety of applications. In this work, we investigate the confined vibrational modes of a series of monodisperse Ag@SiO(2) (cubic core)-shell nanospheres synthesized using a modified Stöber sol-gel method. The particle-size dependence of their mode frequencies has been mapped by Brillouin light scattering, a powerful tool for probing hypersonic vibrations. Unlike the larger particles, the observed spheroidal-like mode frequencies of the smaller ones do not scale with inverse diameter. Interestingly, the onset of the deviation from this linearity occurs at a smaller particle size for higher-energy modes than for lower-energy ones. Finite element simulations show that the mode displacement profiles of the Ag@SiO(2) core-shells closely resemble those of a homogeneous SiO(2) sphere. Simulations have also been performed to ascertain the effects that the core shape and the relative hardness of the core and shell materials have on the vibrations of the core-shell as a whole. As the vibrational modes of a particle have a bearing on its thermal and mechanical properties, the findings would be of value in designing core-shell nanostructures with customized thermal and mechanical characteristics.

  8. Vibrational correlation between conjugated carbonyl and diazo modes studied by single- and dual-frequency two-dimensional infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Maekawa, Hiroaki; Sul, Soohwan; Ge, Nien-Hui

    2013-08-01

    We have applied infrared three-pulse photon echo and single- and dual-frequency 2D IR spectroscopy to the ester Cdbnd O and diazo Ndbnd N stretching modes in ethyl diazoacetate (EDA), and investigated their vibrational frequency fluctuations and correlation. The two modes exhibit different vibrational dynamics and 2D lineshape, which are well simulated by frequency-frequency correlation functions (FFCFs) with two decaying components. Although the FT IR spectrum shows a single Cdbnd O band, absolute magnitude 2D IR nonrephasing spectrum displays spectral signatures supporting the presence of cis and trans conformations. The cross-peak inclined toward the anti-diagonal in the dual-frequency 2D IR spectrum, indicating that the frequency fluctuations of the two modes are anticorrelated. This behavior is attributed to anticorrelated change in the bond orders when solvent and structural fluctuations causes EDA to adopt a different mixture of the two dominant resonance structures. The effects of cross FFCF on the cross-peak line shape are discussed.

  9. Micro-scale piezoelectric vibration energy harvesting: From fixed-frequency to adaptable-frequency devices

    NASA Astrophysics Data System (ADS)

    Miller, Lindsay Margaret

    hundred milliwatts and are falling steadily as improvements are made, it is feasible to use energy harvesting to power WSNs. This research begins by presenting the results of a thorough survey of ambient vibrations in the machine room of a large campus building, which found that ambient vibrations are low frequency, low amplitude, time varying, and multi-frequency. The modeling and design of fixed-frequency micro scale energy harvesters are then presented. The model is able to take into account rotational inertia of the harvester's proof mass and it accepts arbitrary measured acceleration input, calculating the energy harvester's voltage as an output. The fabrication of the micro electromechanical system (MEMS) energy harvesters is discussed and results of the devices harvesting energy from ambient vibrations are presented. The harvesters had resonance frequencies ranging from 31 - 232 Hz, which was the lowest reported in literature for a MEMS device, and produced 24 pW/g2 - 10 nW/g2 of harvested power from ambient vibrations. A novel method for frequency modification of the released harvester devices using a dispenser printed mass is then presented, demonstrating a frequency shift of 20 Hz. Optimization of the MEMS energy harvester connected to a resistive load is then presented, finding that the harvested power output can be increased to several microwatts with the optimized design as long as the driving frequency matches the harvester's resonance frequency. A framework is then presented to allow a similar optimization to be conducted with the harvester connected to a synchronously switched pre-bias circuit. With the realization that the optimized energy harvester only produces usable amounts of power if the resonance frequency and driving frequency match, which is an unrealistic situation in the case of ambient vibrations which change over time and are not always known a priori, an adaptable-frequency energy harvester was designed. The adaptable-frequency

  10. Low-frequency wideband vibration energy harvesting by using frequency up-conversion and quin-stable nonlinearity

    NASA Astrophysics Data System (ADS)

    Wang, Chen; Zhang, Qichang; Wang, Wei

    2017-07-01

    This work presents models and experiments of an impact-driven and frequency up-converted wideband piezoelectric-based vibration energy harvester with a quintuple-well potential induced by the combination effect of magnetic nonlinearity and mechanical piecewise-linearity. Analysis shows that the interwell motions during coupled vibration period enable to increase electrical power output in comparison to conventional frequency up-conversion technology. Besides, the quintuple-well potential with shallower potential wells could extend the harvester's operating bandwidth to lower frequencies. Experiments demonstrate our proposed approach can dramatically boost the measured power of the energy harvester as much as 35 times while its lower cut-off frequency is two times lower than that of a conventional counterpart. These results reveal our proposed approach shows promise for powering portable wireless smart devices from low-intensity, low-frequency vibration sources.

  11. Numerical Analysis of the Influence of Low Frequency Vibration on Bubble Growth

    PubMed Central

    Han, D.; Kedzierski, Mark A.

    2017-01-01

    Numerical simulation of bubble growth during pool boiling under the influence of low frequency vibration was performed to understand the influence of common vibrations such as those induced by wind, highway transportation, and nearby mechanical devices on the performance of thermal systems that rely on boiling. The simulations were done for saturated R123 boiling at 277.6 K with a 15 K wall superheat. The numerical volume-of-fluid method (fixed grid) was used to define the liquid-vapor interface. The basic bubble growth characteristics including the bubble departure diameter and the bubble departure time were determined as a function of the bubble contact angle (20°–80°), the vibration displacement (10 µm–50 µm), the vibration frequency (5 Hz–25 Hz), and the initial vibration direction (positive or negative). The bubble parameters were shown to be strongly dependent on the bubble contact angle at the surface. For example, both the bubble departure diameter and the bubble departure time increased with the contact angle. At the same vibration frequency and the initial vibration direction, the bubble departure diameter and the bubble departure time both decreased with increasing vibration displacement. In addition, the vibration frequency had a greater effect on the bubble growth characteristics than did the vibration displacement. The vibration frequency effect was strongly influenced by the initial vibration direction. The pressure contour, the volume fraction of vapor phase, the temperature profile, and the velocity vector were investigated to understand these dynamic bubble behaviors. The limitation of the computational fluid dynamics approach was also described. PMID:28747812

  12. Enhancement to Non-Contacting Stress Measurement of Blade Vibration Frequency

    NASA Technical Reports Server (NTRS)

    Platt, Michael; Jagodnik, John

    2011-01-01

    A system for turbo machinery blade vibration has been developed that combines time-of-arrival sensors for blade vibration amplitude measurement and radar sensors for vibration frequency and mode identification. The enabling technology for this continuous blade monitoring system is the radar sensor, which provides a continuous time series of blade displacement over a portion of a revolution. This allows the data reduction algorithms to directly calculate the blade vibration frequency and to correctly identify the active modes of vibration. The work in this project represents a significant enhancement in the mode identification and stress calculation accuracy in non-contacting stress measurement system (NSMS) technology when compared to time-of-arrival measurements alone.

  13. Perceived pitch of vibrotactile stimuli: effects of vibration amplitude, and implications for vibration frequency coding.

    PubMed

    Morley, J W; Rowe, M J

    1990-12-01

    1. The effect of changes in amplitude on the perceived pitch of cutaneous vibratory stimuli was studied in psychophysical experiments designed to test whether the coding of information about the frequency of the vibration might be based on the ratio of recruitment of the PC (Pacinian corpuscle-associated) and RA (rapidly adapting) classes of tactile sensory fibres. The study was based on previous data which show that at certain vibration frequencies (e.g. 150 Hz) the ratio of recruitment of the PC and RA classes should vary as a function of vibration amplitude. 2. Sinusoidal vibration at either 30 Hz or 150 Hz, and at an amplitude 10 dB above subjective detection thresholds was delivered in a 1 s train to the distal phalangeal pad of the index finger in eight human subjects. This standard vibration was followed after 0.5 s by a 1 s comparison train of vibration which (unknown to the subject) was at the same frequency as the standard but at a range of amplitudes from 2 to 50 dB above the detection threshold. A two-alternative forced-choice procedure was used in which the subject had to indicate whether the comparison stimulus was higher or lower in pitch (frequency) than the standard. 3. Marked differences were seen from subject to subject in the effect of amplitude on perceived pitch at both 30 Hz and 150 Hz. At 150 Hz, five out of the eight subjects reported an increase in pitch as the amplitude of the comparison vibration increased, one experienced no change, and only two experienced the fall in perceived pitch that is predicted if the proposed ratio code contributes to vibrotactile pitch judgements. At 30 Hz similar intersubject variability was seen in the pitch-amplitude functions. 4. The results do not support the hypothesis that a ratio code contributes to vibrotactile pitch perception. We conclude that temporal patterning of impulse activity remains the major candidate code for pitch perception, at least over a substantial part of the vibrotactile frequency

  14. Reduction of the coupling vibration between the bending vibrators of the frequency-change-type two-axis acceleration sensor

    NASA Astrophysics Data System (ADS)

    Sugawara, Sumio; Sasaki, Yoshifumi; Kudo, Subaru

    2018-07-01

    The frequency-change-type two-axis acceleration sensor uses a cross-type vibrator consisting of four bending vibrators. When coupling vibration exists between these four bending vibrators, the resonance frequency of each vibrator cannot be adjusted independently. In this study, methods of reducing the coupling vibration were investigated by finite-element analysis. A method of adjusting the length of the short arm of each vibrator was proposed for reducing the vibration. When piezoelectric ceramics were bonded to the single-sided surface of the vibrator, the method was not sufficient. Thus, the ceramics with the same dimensions were bonded to double-sided surfaces. As a result, a marked reduction was obtained in this case. Also, the linearity of the sensor characteristics was significantly improved in a small acceleration range. Accordingly, it was clarified that considering the symmetry along the thickness direction of the vibrator is very important.

  15. Internal resonance and low frequency vibration energy harvesting

    NASA Astrophysics Data System (ADS)

    Yang, Wei; Towfighian, Shahrzad

    2017-09-01

    A nonlinear vibration energy harvester with internal resonance is presented. The proposed harvester consists of two cantilevers, each with a permanent magnet on its tip. One cantilever has a piezoelectric layer at its base. When magnetic force is applied this two degrees-of-freedom nonlinear vibration system shows the internal resonance phenomenon that broadens the frequency bandwidth compared to a linear system. Three coupled partial differential equations are obtained to predict the dynamic behavior of the nonlinear energy harvester. The perturbation method of multiple scales is used to solve equations. Results from experiments done at different vibration levels with varying distances between the magnets validate the mathematical model. Experiments and simulations show the design outperforms the linear system by doubling the frequency bandwidth. Output voltage for frequency response is studied for different system parameters. The optimal load resistance is obtained for the maximum power in the internal resonance case. The results demonstrate that a design combining internal resonance and magnetic nonlinearity improves the efficiency of energy harvesting.

  16. Statistical analysis of low frequency vibrations in variable speed wind turbines

    NASA Astrophysics Data System (ADS)

    Escaler, X.; Mebarki, T.

    2013-12-01

    The spectral content of the low frequency vibrations in the band from 0 to 10 Hz measured in full scale wind turbines has been statistically analyzed as a function of the whole range of steady operating conditions. Attention has been given to the amplitudes of the vibration peaks and their dependency on rotating speed and power output. Two different wind turbine models of 800 and 2000 kW have been compared. For each model, a sample of units located in the same wind farm and operating during a representative period of time have been considered. A condition monitoring system installed in each wind turbine has been used to register the axial acceleration on the gearbox casing between the intermediate and the high speed shafts. The average frequency spectrum has permitted to identify the vibration signature and the position of the first tower natural frequency in both models. The evolution of the vibration amplitudes at the rotor rotating frequency and its multiples has shown that the tower response is amplified by resonance conditions in one of the models. So, it is concluded that a continuous measurement and control of low frequency vibrations is required to protect the turbines against harmful vibrations of this nature.

  17. Low-frequency vibrations of a cylindrical shell rotating on rollers

    NASA Astrophysics Data System (ADS)

    Filippov, S. B.

    2018-05-01

    Small free low-frequency vibrations of a rotating closed cylindrical shell which is in a contact with rigid cylindrical rollers are considered. Assumptions of semi-momentless shell theory are used. By means of the expansion of solutions in truncated Fourier series in circumference coordinate the system of the algebraic equations for the approximate calculation of the vibration frequencies and the mode shapes is obtained. The algorithm for the evaluation of frequencies and vibration modes based on analytical solution is developed. In particular, the lowest frequencies of thin cylindrical shell, representing greatest interest for applications, were found. Approximate results are compared with results of numerical calculations carried out by the Finite Elements Analysis. It is shown that the semi-momentless theory can be used for the evaluation of the low frequencies of a cylindrical shell rotating on rollers.

  18. Effect of temperature- and frequency-dependent dynamic properties of rail pads on high-speed vehicle-track coupled vibrations

    NASA Astrophysics Data System (ADS)

    Wei, Kai; Wang, Feng; Wang, Ping; Liu, Zi-xuan; Zhang, Pan

    2017-03-01

    The soft under baseplate pad of WJ-8 rail fastener frequently used in China's high-speed railways was taken as the study subject, and a laboratory test was performed to measure its temperature and frequency-dependent dynamic performance at 0.3 Hz and at -60°C to 20°C with intervals of 2.5°C. Its higher frequency-dependent results at different temperatures were then further predicted based on the time-temperature superposition (TTS) and Williams-Landel-Ferry (WLF) formula. The fractional derivative Kelvin-Voigt (FDKV) model was used to represent the temperature- and frequency-dependent dynamic properties of the tested rail pad. By means of the FDKV model for rail pads and vehicle-track coupled dynamic theory, high-speed vehicle-track coupled vibrations due to temperature- and frequency-dependent dynamic properties of rail pads was investigated. Finally, further combining with the measured frequency-dependent dynamic performance of vehicle's rubber primary suspension, the high-speed vehicle-track coupled vibration responses were discussed. It is found that the storage stiffness and loss factor of the tested rail pad are sensitive to low temperatures or high frequencies. The proposed FDKV model for the frequency-dependent storage stiffness and loss factors of the tested rail pad can basically meet the fitting precision, especially at ordinary temperatures. The numerical simulation results indicate that the vertical vibration levels of high-speed vehicle-track coupled systems calculated with the FDKV model for rail pads in time domain are higher than those calculated with the ordinary Kelvin-Voigt (KV) model for rail pads. Additionally, the temperature- and frequency-dependent dynamic properties of the tested rail pads would alter the vertical vibration acceleration levels (VALs) of the car body and bogie in 1/3 octave frequencies above 31.5 Hz, especially enlarge the vertical VALs of the wheel set and rail in 1/3 octave frequencies of 31.5-100 Hz and above

  19. Vibrational dynamics of acetate in D2O studied by infrared pump-probe spectroscopy.

    PubMed

    Banno, Motohiro; Ohta, Kaoru; Tominaga, Keisuke

    2012-05-14

    Solute-solvent interactions between acetate and D(2)O were investigated by vibrational spectroscopic methods. The vibrational dynamics of the COO asymmetric stretching mode in D(2)O was observed by time-resolved infrared (IR) pump-probe spectroscopy. The pump-probe signal contained both decay and oscillatory components. The time dependence of the decay component could be explained by a double exponential function with time constants of 200 fs and 2.6 ps, which are the same for both the COO asymmetric and symmetric stretching modes. The Fourier spectrum of the oscillatory component contained a band around 80 cm(-1), which suggests that the COO asymmetric stretching mode couples to a low-frequency vibrational mode with a wavenumber of 80 cm(-1). Based on quantum chemistry calculations, we propose that a bridged complex comprising an acetate ion and one D(2)O molecule, in which the two oxygen atoms in the acetate anion form hydrogen bonds with the two deuterium atoms in D(2)O, is the most stable structure. The 80 cm(-1) low-frequency mode was assigned to the asymmetric stretching vibration of the hydrogen bond in the bridged complex. This journal is © the Owner Societies 2012

  20. A Sub-Hertz, Low-Frequency Vibration Isolation Platform

    NASA Technical Reports Server (NTRS)

    Ortiz, Gerardo, G.; Farr, William H.; Sannibale, Virginio

    2011-01-01

    One of the major technical problems deep-space optical communication (DSOC) systems need to solve is the isolation of the optical terminal from vibrations produced by the spacecraft navigational control system and by the moving parts of onboard instruments. Even under these vibration perturbations, the DSOC transceivers (telescopes) need to be pointed l000 fs of times more accurately than an RF communication system (parabolic antennas). Mechanical resonators have been extensively used to provide vibration isolation for groundbased, airborne, and spaceborne payloads. The effectiveness of these isolation systems is determined mainly by the ability of designing a mechanical oscillator with the lowest possible resonant frequency. The Low-Frequency Vibration Isolation Platform (LFVIP), developed during this effort, aims to reduce the resonant frequency of the mechanical oscillators into the sub-Hertz region in order to maximize the passive isolation afforded by the 40 dB/decade roll-off response of the resonator. The LFVIP also provides tip/tilt functionality for acquisition and tracking of a beacon signal. An active control system is used for platform positioning and for dampening of the mechanical oscillator. The basic idea in the design of the isolation platform is to use a passive isolation strut with an approximately equal to 100-mHz resonance frequency. This will extend the isolation range to lower frequencies. The harmonic oscillator is a second-order lowpass filter for mechanical disturbances. The resonance quality depends on the dissipation mechanisms, which are mainly hysteretic because of the low resonant frequency and the absence of any viscous medium. The LFVIP system is configured using the well-established Stewart Platform, which consists of a top platform connected to a base with six extensible struts (see figure). The struts are attached to the base and to the platform via universal joints, which permit the extension and contraction of the struts. The

  1. Kinetics of highly vibrationally excited O2(X) molecules in inductively-coupled oxygen plasmas

    NASA Astrophysics Data System (ADS)

    Annušová, Adriana; Marinov, Daniil; Booth, Jean-Paul; Sirse, Nishant; Lino da Silva, Mário; Lopez, Bruno; Guerra, Vasco

    2018-04-01

    The high degree of vibrational excitation of O2 ground state molecules recently observed in inductively coupled plasma discharges is investigated experimentally in more detail and interpreted using a detailed self-consistent 0D global kinetic model for oxygen plasmas. Additional experimental results are presented and used to validate the model. The vibrational kinetics considers vibrational levels up to v = 41 and accounts for electron impact excitation and de-excitation (e-V), vibration-to-translation relaxation (V-T) in collisions with O2 molecules and O atoms, vibration-to-vibration energy exchanges (V-V), excitation of electronically excited states, dissociative electron attachment, and electron impact dissociation. Measurements were performed at pressures of 10–80 mTorr (1.33 and 10.67 Pa) and radio frequency (13.56 MHz) powers up to 500 W. The simulation results are compared with the absolute densities in each O2 vibrational level obtained by high sensitivity absorption spectroscopy measurements of the Schumann–Runge bands for O2(X, v = 4–18), O(3 P) atom density measurements by two-photon absorption laser induced fluorescence (TALIF) calibrated against Xe, and laser photodetachment measurements of the O‑ negative ions. The highly excited O2(X, v) distribution exhibits a shape similar to a Treanor-Gordiets distribution, but its origin lies in electron impact e-V collisions and not in V-V up-pumping, in contrast to what happens in all other molecular gases known to date. The relaxation of vibrational quanta is mainly due to V-T energy-transfer collisions with O atoms and to electron impact dissociation of vibrationally excited molecules, e+O2(X, v)→O(3P)+O(3P).

  2. Smart nanocoated structure for energy harvesting at low frequency vibration

    NASA Astrophysics Data System (ADS)

    Sharma, Sudhanshu

    Increasing demands of energy which is cleaner and has an unlimited supply has led development in the field of energy harvesting. Piezoelectric materials can be used as a means of transforming ambient vibrations into electrical energy that can be stored and used to power other devices. With the recent surge of micro scale devices, piezoelectric power generation can provide a convenient alternative to traditional power sources. In this research, a piezoelectric power generator composite prototype was developed to maximize the power output of the system. A lead zirconate titanate (PZT) composite structure was formed and mounted on a cantilever bar and was studied to convert vibration energy of the low range vibrations at 30 Hz--1000 Hz. To improve the performance of the PZT, different coatings were made using different percentage of Ferrofluid (FNP) and Zinc Oxide nanoparticles (ZnO) and binder resin. The optimal coating mixture constituent percentage was based on the performance of the composite structure formed by applying the coating on the PZT. The fabricated PZT power generator composite with an effective volume of 0.062 cm3 produced a maximum of 44.5 μW, or 0.717mW/cm3 at its resonant frequency of 90 Hz. The optimal coating mixture had the composition of 59.9%FNP + 40% ZnO + 1% Resin Binder. The coating utilizes the opto-magneto-electrical properties of ZnO and Magnetic properties of FNP. To further enhance the output, the magneto-electric (ME) effect was increased by subjecting the composite to magnetic field where coating acts as a magnetostrictive material. For the effective volume of 0.0062 cm 3, the composite produced a maximum of 68.5 μW, or 1.11mW/cm 3 at its resonant frequency of 90 Hz at 160 gauss. The optimal coating mixture had the composition of 59.9% FNP + 40% ZnO + 1% Resin Binder. This research also focused on improving the efficiency of solar cells by utilizing the magnetic effect along with gas plasma etching to improve the internal reflection

  3. An Analysis of the High Frequency Vibrations in Early Thematic Mapper Scenes

    NASA Technical Reports Server (NTRS)

    Kogut, J.; Larduinat, E.

    1984-01-01

    The potential effects of high frequency vibrations on the final Thematic Mapper (TM) image are evaluated for 26 scenes. The angular displacements of the TM detectors from their nominal pointing directions as measured by the TM Angular Displacement Sensor (ADS) and the spacecraft Dry Rotor Inertial Reference Unit (DRIRU) give data on the along scan and cross scan high frequency vibrations present in each scan of a scene. These measurements are to find the maximum overlap and underlap between successive scans, and to analyze the spectrum of the high frequency vibrations acting on the detectors. The Fourier spectrum of the along scan and cross scan vibrations for each scene also evaluated. The spectra of the scenes examined indicate that the high frequency vibrations arise primarily from the motion of the TM and MSS mirrors, and that their amplitudes are well within expected ranges.

  4. Effects of broad frequency vibration on cultured osteoblasts

    NASA Technical Reports Server (NTRS)

    Tanaka, Shigeo M.; Li, Jiliang; Duncan, Randall L.; Yokota, Hiroki; Burr, David B.; Turner, Charles H.

    2003-01-01

    Bone is subjected in vivo to both high amplitude, low frequency strain, incurred by locomotion, and to low amplitude, broad frequency strain. The biological effects of low amplitude, broad frequency strain are poorly understood. To evaluate the effects of low amplitude strains ranging in frequency from 0 to 50 Hz on osteoblastic function, we seeded MC3T3-E1 cells into collagen gels and applied the following loading protocols for 3 min per day for either 3 or 7 days: (1) sinusoidal strain at 3 Hz, with 0-3000 microstrain peak-to-peak followed by 0.33 s resting time, (2) "broad frequency vibration" of low amplitude strain (standard deviation of 300 microstrain) including frequency components from 0 to 50 Hz, and (3) sinusoidal strain combined with broad frequency vibration (S + V). The cells were harvested on day 4 or 8. We found that the S + V stimulation significantly repressed cell proliferation by day 8. Osteocalcin mRNA was up-regulated 2.6-fold after 7 days of S + V stimulation, and MMP-9 mRNA was elevated 1.3-fold after 3 days of vibration alone. Sinusoidal stimulation alone did not affect the cell responses. No differences due to loading were observed in alkaline phosphatase activity and in mRNA levels of type I collagen, osteopontin, connexin 43, MMPs-1A, -3, -13. These results suggest that osteoblasts are more sensitive to low amplitude, broad frequency strain, and this kind of strain could sensitize osteoblasts to high amplitude, low frequency strain. This suggestion implies a potential contribution of stochastic resonance to the mechanical sensitivity of osteoblasts. Copyright 2002 Elsevier Science Ltd.

  5. The effects of low-frequency vibrations on hepatic profile of blood

    NASA Astrophysics Data System (ADS)

    Damijan, Z.

    2008-02-01

    Body vibrations training has become popular in sports training, fitness activity, it is still a rare form of physical rehabilitation.. Vibrations are transmitted onto the whole body or some body parts of an exercising person via a vibration platform subjected to mechanical vertical vibrations. During the training session a participant has to maintain his body position or do exercises that engage specific muscles whilst vibrations of the platform are transmitted onto the person's body. This paper is the continuation of the earlier study covering the effects of low-frequency vibrations on selected physiological parameters of the human body. The experiments were conducted to find the answer to the question if vibration exposure (total duration of training sessions 6 hours 20 min) should produce any changes in hepatic profile of blood. Therefore a research program was undertaken at the University of Science and Technology AGH UST to investigate the effects of low-frequency vibration on selected parameters of hepatic profile of human blood. Cyclic fluctuations of bone loading were induced by the applied harmonic vibration 3.5 Hz and amplitude 0.004 m. The experiments utilizing two vibrating platforms were performed in the Laboratory of Structural Acoustics and Biomedical Engineering AGH-UST. The applied vibrations were harmless and not annoying, in accordance with the standard PN-EN ISO 130901-1, 1998. 23 women volunteers had 19 sessions on subsequent working days, at the same time of day. during the tests the participants remained in the standing position, passive. The main hypothesis has it that short-term low-frequency vibration exposure might bring about the changes of the hepatic profile of blood, including: bilirubin (BILIRUBIN), alkaline phosphatase (Alp), alanine aminotransferase (ALT), aspartate aminotransferase (AST) and albumin (ALBUMIN) levels. Research data indicate the low-frequency vibrations exposure produces statistically significant decrease of

  6. Determining linear vibration frequencies of a ferromagnetic shell

    NASA Astrophysics Data System (ADS)

    Bagdoev, A. G.; Vardanyan, A. V.; Vardanyan, S. V.; Kukudzhanov, V. N.

    2007-10-01

    The problems of determining the roots of dispersion equations for free bending vibrations of thin magnetoelastic plates and shells are of both theoretical and practical interest, in particular, in studying vibrations of metallic structures used in controlled thermonuclear reactors. These problems were solved on the basis of the Kirchhoff hypothesis in [1-5]. In [6], an exact spatial approach to determining the vibration frequencies of thin plates was suggested, and it was shown that it completely agrees with the solution obtained according to the Kirchhoff hypothesis. In [7-9], this exact approach was used to solve the problem on vibrations of thin magnetoelastic plates, and it was shown by cumbersome calculations that the solutions obtained according to the exact theory and the Kirchhoff hypothesis differ substantially except in a single case. In [10], the equations of the dynamic theory of elasticity in the axisymmetric problem are given. In [11], the equations for the vibration frequencies of thin ferromagnetic plates with arbitrary conductivity were obtained in the exact statement. In [12], the Kirchhoff hypothesis was used to obtain dispersion relations for a magnetoelastic thin shell. In [5, 13-16], the relations for the Maxwell tensor and the ponderomotive force for magnetics were presented. In [17], the dispersion relations for thin ferromagnetic plates in the transverse field in the spatial statement were studied analytically and numerically. In the present paper, on the basis of the exact approach, we study free bending vibrations of a thin ferromagnetic cylindrical shell. We obtain the exact dispersion equation in the form of a sixth-order determinant, which can be solved numerically in the case of a magnetoelastic thin shell. The numerical results are presented in tables and compared with the results obtained by the Kirchhoff hypothesis. We show a large number of differences in the results, even for the least frequency.

  7. Potassium-cobalt sulphate crystal growth assisted by low frequency vibrations

    NASA Astrophysics Data System (ADS)

    Sadovsky, A.; Ermochenkov, I.; Dubovenko, E.; Sukhanova, E.; Bebyakin, M.; Dubov, V.; Avetissov, I.

    2018-02-01

    Single crystals of K2Co(SO4)2·6H2O were grown from solution using the temperature reduction method enhanced by the axial low frequency vibration control technique (AVC-technique). Physical modeling of heat-mass transfer in solution under the AVC action was performed. The growth rate of the AVC grown crystal was found to be twice that of the crystal grown under natural convection conditions. Analysis of spectral characteristics (absorption and Raman spectra) as well as structural properties (dislocation density and microhardness) of the grown crystals showed the significant superiority of the AVC technique for the growth of K2Co(SO4)2·6H2O crystals.

  8. First-principles studies of PETN molecular crystal vibrational frequencies under high pressure

    NASA Astrophysics Data System (ADS)

    Perger, Warren; Zhao, Jijun

    2005-07-01

    The vibrational frequencies of the PETN molecular crystal were calculated using the first-principles CRYSTAL03 program which employs an all-electron LCAO approach and calculates analytic first derivatives of the total energy with respect to atomic displacements. Numerical second derivatives were used to enable calculation of the vibrational frequencies at ambient pressure and under various states of compression. Three different density functionals, B3LYP, PW91, and X3LYP were used to examine the effect of the exchange-correlation functional on the vibrational frequencies. The pressure-induced shift of the vibrational frequencies will be presented and compared with experiment. The average deviation with experimental results is shown to be on the order of 2-3%, depending on the functional used.

  9. A programmable broadband low frequency active vibration isolation system for atom interferometry.

    PubMed

    Tang, Biao; Zhou, Lin; Xiong, Zongyuan; Wang, Jin; Zhan, Mingsheng

    2014-09-01

    Vibration isolation at low frequency is important for some precision measurement experiments that use atom interferometry. To decrease the vibrational noise caused by the reflecting mirror of Raman beams in atom interferometry, we designed and demonstrated a compact stable active low frequency vibration isolation system. In this system, a digital control subsystem is used to process and feedback the vibration measured by a seismometer. A voice coil actuator is used to control and cancel the motion of a commercial passive vibration isolation platform. With the help of field programmable gate array-based control subsystem, the vibration isolation system performed flexibly and accurately. When the feedback is on, the intrinsic resonance frequency of the system will change from 0.8 Hz to about 0.015 Hz. The vertical vibration (0.01-10 Hz) measured by the in-loop seismometer is reduced by an additional factor of up to 500 on the basis of a passive vibration isolation platform, and we have proved the performance by adding an additional seismometer as well as applying it in the atom interferometry experiment.

  10. The effects of transverse shearing and anisotropy on vibration frequencies of laminated cylinders

    NASA Technical Reports Server (NTRS)

    Jegley, D. C.

    1990-01-01

    The natural vibration frequencies of orthotropic and anisotropic, simply supported right circular cylinders are predicted using a theory which takes into account higher-order transverse shear deformation effects. A comparison between results based on first-order transverse shear deformation theory and the higher-order theory indicates that an additional allowance for transverse shear deformation has a negligible effect on the predicted natural vibration frequencies associated with long wavelengths, but significantly reduces the natural vibration frequencies associated with short wavelengths. Results of a parametric study of ply orientation for two classes of laminates indicates that while stacking sequence affects natural vibration frequencies, cylinder geometry and mode shape are more important in accurately predicting transverse shear deformation effects. Transverse shearing effects are less important in predicting natural vibration frequencies associated with long wavelength than in predicting axial compressive buckling loads.

  11. Crystal structure, vibrational spectra, optical and DFT studies of bis (3-azaniumylpropyl) azanium pentachloroantimonate (III) chloride monohydrate (C6H20N3)SbCl5·Cl·H2O.

    PubMed

    Ahmed, Houssem Eddine; Kamoun, Slaheddine

    2017-09-05

    The crystal structure of (C 6 H 20 N 3 )SbCl 5 ·Cl·H 2 O is built up of [NH 3 (CH 2 ) 3 NH 2 (CH 2 ) 3 NH 3 ] 3+ cations, [SbCl 5 ] 2- anions, free Cl - anions and neutral water molecules connected together by NH⋯Cl, NH⋯O and OH⋯Cl hydrogen bonds. The optical band gap determined by diffuse reflection spectroscopy (DRS) is 3.78eV for a direct allowed transition. Optimized molecular geometry, atomic Mulliken charges, harmonic vibrational frequencies, HOMO-LUMO and related molecular properties of the (C 6 H 20 N 3 )SbCl 5 ·Cl·H 2 O compound were calculated by Density functional theory (DFT) using B3LYP method with GenECP sets. The calculated structural parameters (bond lengths and angles) are in good agreement with the experimental XRD data. The vibrational unscaled wavenumbers were calculated and scaled by a proper scaling factor of 0.984. Acceptable consistency was observed between calculated and experimental results. The assignments of wavenumbers were made on the basis of potential energy distribution (PED) using Vibrational Energy Distribution Analysis (VEDA) software. The HOMO-LUMO study was extended to calculate various molecular parameters like ionization potential, electron affinity, global hardness, electro-chemical potential, electronegativity and global electrophilicity of the given molecule. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Crystal structure, vibrational spectra, optical and DFT studies of bis (3-azaniumylpropyl) azanium pentachloroantimonate (III) chloride monohydrate (C6H20N3)SbCl5·Cl·H2O

    NASA Astrophysics Data System (ADS)

    Ahmed, Houssem Eddine; Kamoun, Slaheddine

    2017-09-01

    The crystal structure of (C6H20N3)SbCl5·Cl·H2O is built up of [NH3(CH2)3NH2(CH2)3NH3]3 + cations, [SbCl5]2 - anions, free Cl- anions and neutral water molecules connected together by Nsbnd H ⋯ Cl, Nsbnd H ⋯ O and Osbnd H ⋯ Cl hydrogen bonds. The optical band gap determined by diffuse reflection spectroscopy (DRS) is 3.78 eV for a direct allowed transition. Optimized molecular geometry, atomic Mulliken charges, harmonic vibrational frequencies, HOMO-LUMO and related molecular properties of the (C6H20N3)SbCl5·Cl·H2O compound were calculated by Density functional theory (DFT) using B3LYP method with GenECP sets. The calculated structural parameters (bond lengths and angles) are in good agreement with the experimental XRD data. The vibrational unscaled wavenumbers were calculated and scaled by a proper scaling factor of 0.984. Acceptable consistency was observed between calculated and experimental results. The assignments of wavenumbers were made on the basis of potential energy distribution (PED) using Vibrational Energy Distribution Analysis (VEDA) software. The HOMO-LUMO study was extended to calculate various molecular parameters like ionization potential, electron affinity, global hardness, electro-chemical potential, electronegativity and global electrophilicity of the given molecule.

  13. Detailed Vibration Analysis of Pinion Gear with Time-Frequency Methods

    NASA Technical Reports Server (NTRS)

    Mosher, Marianne; Pryor, Anna H.; Lewicki, David G.

    2003-01-01

    In this paper, the authors show a detailed analysis of the vibration signal from the destructive testing of a spiral bevel gear and pinion pair containing seeded faults. The vibration signal is analyzed in the time domain, frequency domain and with four time-frequency transforms: the Short Time Frequency Transform (STFT), the Wigner-Ville Distribution with the Choi-Williams kernel (WV-CW), the Continuous Wavelet' Transform (CWT) and the Discrete Wavelet Transform (DWT). Vibration data of bevel gear tooth fatigue cracks, under a variety of operating load levels and damage conditions, are analyzed using these methods. A new metric for automatic anomaly detection is developed and can be produced from any systematic numerical representation of the vibration signals. This new metric reveals indications of gear damage with all of the time-frequency transforms, as well as time and frequency representations, on this data set. Analysis with the CWT detects changes in the signal at low torque levels not found with the other transforms. The WV-CW and CWT use considerably more resources than the STFT and the DWT. More testing of the new metric is needed to determine its value for automatic anomaly detection and to develop fault detection methods for the metric.

  14. Low Frequency Vibrations Disrupt Left-Right Patterning in the Xenopus Embryo

    PubMed Central

    Vandenberg, Laura N.; Pennarola, Brian W.; Levin, Michael

    2011-01-01

    The development of consistent left-right (LR) asymmetry across phyla is a fascinating question in biology. While many pharmacological and molecular approaches have been used to explore molecular mechanisms, it has proven difficult to exert precise temporal control over functional perturbations. Here, we took advantage of acoustical vibration to disrupt LR patterning in Xenopus embryos during tightly-circumscribed periods of development. Exposure to several low frequencies induced specific randomization of three internal organs (heterotaxia). Investigating one frequency (7 Hz), we found two discrete periods of sensitivity to vibration; during the first period, vibration affected the same LR pathway as nocodazole, while during the second period, vibration affected the integrity of the epithelial barrier; both are required for normal LR patterning. Our results indicate that low frequency vibrations disrupt two steps in the early LR pathway: the orientation of the LR axis with the other two axes, and the amplification/restriction of downstream LR signals to asymmetric organs. PMID:21826245

  15. The Rotational Spectrum of Ketene Isotopomers with 18O and 13C Revisited

    NASA Astrophysics Data System (ADS)

    Guarnieri, A.; Huckaufa, A.

    2003-06-01

    The pure rotational spectra of [18O]ketene, H2C=C18O, [1-13C]ketene, H2C=13CO, and [2-13C]ketene, H213C=CO, have been revisited in the frequency region 200 - 350 GHz in the ground vibrational state. From more than 100 R-branch transitions for each isotopomer a set of rotational and centrifugal distortion constants could be derived using the Watson S-reduction formalism. The values obtained for the rotational constants B and C agree very well with results of former investigations. The agreement is worse with respect to the A constants, but our newly determined A values agree well with the corresponding values of the main species and the 17O isotopomer.

  16. Effect of annealing induced residual stress on the resonance frequency of SiO2 microcantilevers

    NASA Astrophysics Data System (ADS)

    Balasubramanian, S.; Prabakar, K.; Tripura Sundari, S.

    2018-04-01

    In the present work, effect of residual stress, induced due to annealing of SiO2 microcantilevers (MCs) on their resonance frequency is studied. SiO2MCs of various dimensions were fabricated using direct laser writer & wet chemical etching method and were annealed at 800 °C in oxygen environment, post release. The residual stress was estimated from the deflection profile of the MCs measured using 3D optical microscope, before and after annealing. Resonance frequency of the MCs was measured using nano-vibration analyzer and was found to change after annealing. Further the frequency shift was found to depend on the MC dimensions. This is attributed to the large stress gradients induced by annealing and associated stiffness changes.

  17. Vibrational spectroscopic investigation of p-, m- and o-nitrobenzonitrile by using Hartree-Fock and density functional theory

    NASA Astrophysics Data System (ADS)

    Sert, Y.; Ucun, F.

    2013-08-01

    In the present work, the theoretical vibrational spectra of p-, m- and o-nitrobenzonitrile molecules have been analyzed. The harmonic vibrational frequencies and geometric parameters (bond lengths and bond angles) of these molecules have been calculated using ab initio Hartree-Fock and density functional theory methods with 6-311++G(d,p) basis set by Gaussian 03 W, for the first time. Assignments of the vibrational frequencies have been performed by potential energy distribution by using VEDA 4 program. The optimized geometric parameters and harmonic vibrational frequencies have been compared with the corresponding experimental data and seen to be in a good agreement with each other. Also, the highest occupied molecular orbital and lowest unoccupied molecular orbital energies have been obtained.

  18. Characterization of Frequency-Dependent Responses of the Vascular System to Repetitive Vibration

    PubMed Central

    Krajnak, Kristine; Miller, G. Roger; Waugh, Stacey; Johnson, Claud; Kashon, Michael L.

    2015-01-01

    Objective Occupational exposure to hand-transmitted vibration can result in damage to nerves and sensory loss. The goal of this study was to assess the frequency-dependent effects of repeated bouts of vibration on sensory nerve function and associated changes in nerves. Methods The tails of rats were exposed to vibration at 62.5, 125, or 250 Hz (constant acceleration of 49m/s2) for 10 days. The effects on sensory nerve function, nerve morphology, and transcript expression in ventral tail nerves were measured. Results Vibration at all frequencies had effects on nerve function and physiology. However, the effects tended to be more prominent with exposure at 250 Hz. Conclusion Exposure to vibration has detrimental effects on sensory nerve function and physiology. However, many of these changes are more prominent at 250-Hz exposure than at lower frequencies. PMID:22785326

  19. Prototype fiber Bragg Grattings (FBG) sensor based on intensity modulation of the laser diode low frequency vibrations measurement

    NASA Astrophysics Data System (ADS)

    Setiono, Andi; Ula, Rini Khamimatul; Hanto, Dwi; Widiyatmoko, Bambang; Purnamaningsih, Retno Wigajatri

    2016-02-01

    In general, Fiber Bragg Grating (FBG) sensor works based on observation of spectral response characteristic to detect the desired parameter. In this research, we studied intensity response characteristic of FBG to detect the dynamic strain. Experiment result show that the reflected intensity had linier relationships with dynamic strain. Based on these characteristics, we developed the FBG sensor to detect low frequency vibration. This sensor is designed by attaching the FBG on the bronze cantilever with dimensions of 85×3×0.5 mm. Measurement results showed that the sensor was able to detect vibrations in the frequency range of 7-10 Hz at temperature range of 25-45 ˚C. The measured frequency range is still within the frequency range of digging activity, therefore this vibration sensor can be applied for oil pipelines vandalisation detection system.

  20. Low-frequency meandering piezoelectric vibration energy harvester.

    PubMed

    Berdy, David F; Srisungsitthisunti, Pornsak; Jung, Byunghoo; Xu, Xianfan; Rhoads, Jeffrey F; Peroulis, Dimitrios

    2012-05-01

    The design, fabrication, and characterization of a novel low-frequency meandering piezoelectric vibration energy harvester is presented. The energy harvester is designed for sensor node applications where the node targets a width-to-length aspect ratio close to 1:1 while simultaneously achieving a low resonant frequency. The measured power output and normalized power density are 118 μW and 5.02 μW/mm(3)/g(2), respectively, when excited by an acceleration magnitude of 0.2 g at 49.7 Hz. The energy harvester consists of a laser-machined meandering PZT bimorph. Two methods, strain-matched electrode (SME) and strain-matched polarization (SMP), are utilized to mitigate the voltage cancellation caused by having both positive and negative strains in the piezoelectric layer during operation at the meander's first resonant frequency. We have performed finite element analysis and experimentally demonstrated a prototype harvester with a footprint of 27 x 23 mm and a height of 6.5 mm including the tip mass. The device achieves a low resonant frequency while maintaining a form factor suitable for sensor node applications. The meandering design enables energy harvesters to harvest energy from vibration sources with frequencies less than 100 Hz within a compact footprint.

  1. Estimation of vibration frequency of loudspeaker diaphragm by parallel phase-shifting digital holography

    NASA Astrophysics Data System (ADS)

    Kakue, T.; Endo, Y.; Shimobaba, T.; Ito, T.

    2014-11-01

    We report frequency estimation of loudspeaker diaphragm vibrating at high speed by parallel phase-shifting digital holography which is a technique of single-shot phase-shifting interferometry. This technique records multiple phaseshifted holograms required for phase-shifting interferometry by using space-division multiplexing. We constructed a parallel phase-shifting digital holography system consisting of a high-speed polarization-imaging camera. This camera has a micro-polarizer array which selects four linear polarization axes for 2 × 2 pixels. We set a loudspeaker as an object, and recorded vibration of diaphragm of the loudspeaker by the constructed system. By the constructed system, we demonstrated observation of vibration displacement of loudspeaker diaphragm. In this paper, we aim to estimate vibration frequency of the loudspeaker diaphragm by applying the experimental results to frequency analysis. Holograms consisting of 128 × 128 pixels were recorded at a frame rate of 262,500 frames per second by the camera. A sinusoidal wave was input to the loudspeaker via a phone connector. We observed displacement of the loudspeaker diaphragm vibrating by the system. We also succeeded in estimating vibration frequency of the loudspeaker diaphragm by applying frequency analysis to the experimental results.

  2. High frequency vibration analysis by the complex envelope vectorization.

    PubMed

    Giannini, O; Carcaterra, A; Sestieri, A

    2007-06-01

    The complex envelope displacement analysis (CEDA) is a procedure to solve high frequency vibration and vibro-acoustic problems, providing the envelope of the physical solution. CEDA is based on a variable transformation mapping the high frequency oscillations into signals of low frequency content and has been successfully applied to one-dimensional systems. However, the extension to plates and vibro-acoustic fields met serious difficulties so that a general revision of the theory was carried out, leading finally to a new method, the complex envelope vectorization (CEV). In this paper the CEV method is described, underlying merits and limits of the procedure, and a set of applications to vibration and vibro-acoustic problems of increasing complexity are presented.

  3. Escape conditioning and low-frequency whole-body vibration - The effects of frequency, amplitude, and controls for noise and activation.

    NASA Technical Reports Server (NTRS)

    Wike, E. L.; Wike, S. S.

    1972-01-01

    Seven experiments are reported on low-frequency whole-body vibration and rats' escape conditioning in a modified Skinner box. In the first three studies, conditioning was observed but was independent of frequency. In experiment four, the number of escape responses was directly related to vibration amplitude. Experiment five was a control for vibration noise and noise termination; experiments six and seven studied vibration-induced activation. Noise termination did not produce conditioning. In experiment six, subjects made more responses when responding led to termination than when it did not. In experiment seven, subjects preferred a bar which terminated vibration to one which did not.

  4. Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

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

    Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk

    Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach ismore » found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.« less

  5. Frequency Tuning of Vibration Absorber Using Topology Optimization

    NASA Astrophysics Data System (ADS)

    Harel, Swapnil Subhash

    A tuned mass absorber is a system for reducing the amplitude in one oscillator by coupling it to a second oscillator. If tuned correctly, the maximum amplitude of the first oscillator in response to a periodic driver will be lowered, and much of the vibration will be 'transferred' to the second oscillator. The tuned vibration absorber (TVA) has been utilized for vibration control purposes in many sectors of Civil/Automotive/Aerospace Engineering for many decades since its inception. Time and again we come across a situation in which a vibratory system is required to run near resonance. In the past, approaches have been made to design such auxiliary spring mass tuned absorbers for the safety of the structures. This research focuses on the development and optimization of continuously tuned mass absorbers as a substitute to the discretely tuned mass absorbers (spring- mass system). After conducting the study of structural behavior, the boundary condition and frequency to which the absorber is to be tuned are determined. The Modal analysis approach is used to determine mode shapes and frequencies. The absorber is designed and optimized using the topology optimization tool, which simultaneously designs, optimizes and tunes the absorber to the desired frequency. The tuned, optimized absorber, after post processing, is attached to the target structure. The number of the absorbers are increased to amplify bandwidth and thereby upgrade the safety of structure for a wide range of frequency. The frequency response analysis is carried out using various combinations of structure and number of absorber cell.

  6. The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates

    NASA Astrophysics Data System (ADS)

    Powers, Anna; Scribano, Yohann; Lauvergnat, David; Mebe, Elsy; Benoit, David M.; Bačić, Zlatko

    2018-04-01

    We report a theoretical study of the frequency shift (redshift) of the stretching fundamental transition of an H2 molecule confined inside the small dodecahedral cage of the structure II clathrate hydrate and its dependence on the condensed-phase environment. In order to determine how much the hydrate water molecules beyond the confining small cage contribute to the vibrational frequency shift, quantum five-dimensional (5D) calculations of the coupled translation-rotation eigenstates are performed for H2 in the v =0 and v =1 vibrational states inside spherical clathrate hydrate domains of increasing radius and a growing number of water molecules, ranging from 20 for the isolated small cage to over 1900. In these calculations, both H2 and the water domains are treated as rigid. The 5D intermolecular potential energy surface (PES) of H2 inside a hydrate domain is assumed to be pairwise additive. The H2-H2O pair interaction, represented by the 5D (rigid monomer) PES that depends on the vibrational state of H2, v =0 or v =1 , is derived from the high-quality ab initio full-dimensional (9D) PES of the H2-H2O complex [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)]. The H2 vibrational frequency shift calculated for the largest clathrate domain considered, which mimics the condensed-phase environment, is about 10% larger in magnitude than that obtained by taking into account only the small cage. The calculated splittings of the translational fundamental of H2 change very little with the domain size, unlike the H2 j = 1 rotational splittings that decrease significantly as the domain size increases. The changes in both the vibrational frequency shift and the j = 1 rotational splitting due to the condensed-phase effects arise predominantly from the H2O molecules in the first three complete hydration shells around H2.

  7. Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids

    NASA Astrophysics Data System (ADS)

    Van Hoozen, Brian L.; Petersen, Poul B.

    2018-04-01

    Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm-1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pKA values. Dimers with large pKA differences are found to have features that can extend to frequencies below 1000 cm-1. The relationships between mean OH/NH frequency, aqueous pKA, and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm-1. Understanding how the vibrational features

  8. Vibrational tug-of-war: The pKA dependence of the broad vibrational features of strongly hydrogen-bonded carboxylic acids.

    PubMed

    Van Hoozen, Brian L; Petersen, Poul B

    2018-04-07

    Medium and strong hydrogen bonds give rise to broad vibrational features frequently spanning several hundred wavenumbers and oftentimes exhibiting unusual substructures. These broad vibrational features can be modeled from first principles, in a reduced dimensional calculation, that adiabatically separates low-frequency modes, which modulate the hydrogen bond length, from high-frequency OH stretch and bend modes that contribute to the vibrational structure. Previously this method was used to investigate the origin of an unusual vibrational feature frequently found in the spectra of dimers between carboxylic acids and nitrogen-containing aromatic bases that spans over 900 cm -1 and contains two broad peaks. It was found that the width of this feature largely originates from low-frequency modes modulating the hydrogen bond length and that the structure results from Fermi resonance interactions. In this report, we examine how these features change with the relative acid and base strength of the components as reflected by their aqueous pK A values. Dimers with large pK A differences are found to have features that can extend to frequencies below 1000 cm -1 . The relationships between mean OH/NH frequency, aqueous pK A , and O-N distance are examined in order to obtain a more rigorous understanding of the origin and shape of the vibrational features. The mean OH/NH frequencies are found to correlate well with O-N distances. The lowest OH stretch frequencies are found in dimer geometries with O-N distances between 2.5 and 2.6 Å. At larger O-N distances, the hydrogen bonding interaction is not as strong, resulting in higher OH stretch frequencies. When the O-N distance is smaller than 2.5 Å, the limited space between the O and N determines the OH stretch frequency, which gives rise to frequencies that decrease with O-N distances. These two effects place a lower limit on the OH stretch frequency which is calculated to be near 700 cm -1 . Understanding how the vibrational

  9. High-precision and low-cost vibration generator for low-frequency calibration system

    NASA Astrophysics Data System (ADS)

    Li, Rui-Jun; Lei, Ying-Jun; Zhang, Lian-Sheng; Chang, Zhen-Xin; Fan, Kuang-Chao; Cheng, Zhen-Ying; Hu, Peng-Hao

    2018-03-01

    Low-frequency vibration is one of the harmful factors that affect the accuracy of micro-/nano-measuring machines because its amplitude is significantly small and it is very difficult to avoid. In this paper, a low-cost and high-precision vibration generator was developed to calibrate an optical accelerometer, which is self-designed to detect low-frequency vibration. A piezoelectric actuator is used as vibration exciter, a leaf spring made of beryllium copper is used as an elastic component, and a high-resolution, low-thermal-drift eddy current sensor is applied to investigate the vibrator’s performance. Experimental results demonstrate that the vibration generator can achieve steady output displacement with frequency range from 0.6 Hz to 50 Hz, an analytical displacement resolution of 3.1 nm and an acceleration range from 3.72 mm s-2 to 1935.41 mm s-2 with a relative standard deviation less than 1.79%. The effectiveness of the high-precision and low-cost vibration generator was verified by calibrating our optical accelerometer.

  10. Raman spectrum, quantum mechanical calculations and vibrational assignments of (95% alpha-TeO2/5% Sm2O3) glass.

    PubMed

    Shaltout, I; Mohamed, Tarek A

    2007-06-01

    Chozen system of tellurite glasses doped with rare earth oxides (95% alpha-TeO(2)+5% Sm2O3) was prepared by melt quenching. Consequently, the Raman spectrum (150-1250 cm(-1)) of the modified tellurite have been recorded. As a continuation to our normal coordinate analysis, force constants and quantum mechanical (QM) calculations for tbp TeO4(4-) (triagonal bipyramid, C(2v)) and TeO(3+1); Te2O7(6-) (bridged tetrahedral), we have carried out ab initio frequency calculations for tpy TeO3(2-) (triagonal pyramidal, C(3v) and C(s)) and tp TeO3(2-) (triagonal planar, D(3h)) ions. The quantum mechanical calculations at the levels of RHF, B3LYP and MP2 allow confident vibrational assignments and structural identification in the binary oxide glass (95% alpha-TeO2 +5% Sm2O3). The dominant three-dimensional network structures in the modified glass are triagonal pyramidal TeO3 with minor features of short range distorted tbp TeO4 and bridged tetrahedral unit of TeO(3+1), leading to a structure of infinite chain. Therefore, alpha-TeO2/Sm2O3 (95/5%) glass experience structural changes from TeO4 (tbp); Te2O7 (TeO(3+1))-->TeO3 (tpy).

  11. Comparative analysis of internal friction and natural frequency measured by free decay and forced vibration.

    PubMed

    Wang, Y Z; Ding, X D; Xiong, X M; Zhang, J X

    2007-10-01

    Relations between various values of the internal friction (tgdelta, Q(-1), Q(-1*), and Lambda/pi) measured by free decay and forced vibration are analyzed systemically based on a fundamental mechanical model in this paper. Additionally, relations between various natural frequencies, such as vibration frequency of free decay omega(FD), displacement-resonant frequency of forced vibration omega(d), and velocity-resonant frequency of forced vibration omega(0) are calculated. Moreover, measurement of natural frequencies of a copper specimen of 99.9% purity has been made to demonstrate the relation between the measured natural frequencies of the system by forced vibration and free decay. These results are of importance for not only more accurate measurement of the elastic modulus of materials but also the data conversion between different internal friction measurements.

  12. Active Mechanisms of Vibration Encoding and Frequency Filtering in Central Mechanosensory Neurons.

    PubMed

    Azevedo, Anthony W; Wilson, Rachel I

    2017-10-11

    To better understand biophysical mechanisms of mechanosensory processing, we investigated two cell types in the Drosophila brain (A2 and B1 cells) that are postsynaptic to antennal vibration receptors. A2 cells receive excitatory synaptic currents in response to both directions of movement: thus, twice per vibration cycle. The membrane acts as a low-pass filter, so that voltage and spiking mainly track the vibration envelope rather than individual cycles. By contrast, B1 cells are excited by only forward or backward movement, meaning they are sensitive to vibration phase. They receive oscillatory synaptic currents at the stimulus frequency, and they bandpass filter these inputs to favor specific frequencies. Different cells prefer different frequencies, due to differences in their voltage-gated conductances. Both Na + and K + conductances suppress low-frequency synaptic inputs, so cells with larger voltage-gated conductances prefer higher frequencies. These results illustrate how membrane properties and voltage-gated conductances can extract distinct stimulus features into parallel channels. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Mn-modification effects on Nb2O5 structural, optical and vibrational properties

    NASA Astrophysics Data System (ADS)

    Raba, A. M.; Murillo, E.; Joya, M. R.

    2017-12-01

    In this study Mn-modification (at 1%, 2.5%, 5% and 10%) on Nb2O5 was carried out through the Pechini method; the annealing temperatures: 400°C, 500°C, 600°C and 700°C, were used to study the thermal stability of the system and the crystalline growth. The crystallization at high temperatures has been investigated because low annealing temperature cannot improve the crystallization and the effect of Mn-modification concentration is worthy of a further investigation. Before annealing the samples were analysed by TGA. The structural analysis through XRD is carried out to study a possible increase of the crystallite size (L) by increasing the Mn concentration; for the samples at 700°C and 1% and 2.5% concentrations, L is increased from 39.81 to 46.45nm while L changes from 32.67 to 35.63 with 5% and 10%, respectively. After Mn-modification the evolution of (100) and (180) peaks Nb2O5 was observed suggesting that they were well defined only until 2.5%. IR and Raman spectroscopies allowed to analyse vibrational modes present in the samples: the IR spectrums for the samples at 400°C, 500°C and 600°C showed a band around 1100cm-1 which can be associated to C-C(νC-C) and C-O(νC-O) vibrations; at 700°C the shoulder was distinguished around 750cm-1 characteristics of the Nb2O5 orthorhombic structure. Vibration modes associated with Nb2O5 were found with the Raman spectroscopy; these become less intense after Mn-modification. The band gap energy was obtained through UV-Vis spectrophotometry which revealed a slight increase at 700°C.

  14. Contact area affects frequency-dependent responses to vibration in the peripheral vascular and sensorineural systems.

    PubMed

    Krajnak, Kristine; Miller, G R; Waugh, Stacey

    2018-01-01

    Repetitive exposure to hand-transmitted vibration is associated with development of peripheral vascular and sensorineural dysfunctions. These disorders and symptoms associated with it are referred to as hand-arm vibration syndrome (HAVS). Although the symptoms of the disorder have been well characterized, the etiology and contribution of various exposure factors to development of the dysfunctions are not well understood. Previous studies performed using a rat-tail model of vibration demonstrated that vascular and peripheral nervous system adverse effects of vibration are frequency-dependent, with vibration frequencies at or near the resonant frequency producing the most severe injury. However, in these investigations, the amplitude of the exposed tissue was greater than amplitude typically noted in human fingers. To determine how contact with vibrating source and amplitude of the biodynamic response of the tissue affects the risk of injury occurring, this study compared the influence of frequency using different levels of restraint to assess how maintaining contact of the tail with vibrating source affects the transmission of vibration. Data demonstrated that for the most part, increasing the contact of the tail with the platform by restraining it with additional straps resulted in an enhancement in transmission of vibration signal and elevation in factors associated with vascular and peripheral nerve injury. In addition, there were also frequency-dependent effects, with exposure at 250 Hz generating greater effects than vibration at 62.5 Hz. These observations are consistent with studies in humans demonstrating that greater contact and exposure to frequencies near the resonant frequency pose the highest risk for generating peripheral vascular and sensorineural dysfunction.

  15. Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy.

    PubMed

    Yang, Deheng; Li, Yadong; Liu, Xinyi; Cao, Yue; Gao, Yi; Shen, Y Ron; Liu, Wei-Tao

    2018-04-24

    The facet-specific interaction between molecules and crystalline catalysts, such as titanium dioxides (TiO 2 ), has attracted much attention due to possible facet-dependent reactivity. Using surface-sensitive sum-frequency vibrational spectroscopy, we have studied how methanol interacts with different common facets of crystalline TiO 2 , including rutile(110), (001), (100), and anatase(101), under ambient temperature and pressure. We found that methanol adsorbs predominantly in the molecular form on all of the four surfaces, while spontaneous dissociation into methoxy occurs preferentially when these surfaces become defective. Extraction of Fermi resonance coupling between stretch and bending modes of the methyl group in analyzing adsorbed methanol spectra allows determination of the methanol adsorption isotherm. The isotherms obtained for the four surfaces are nearly the same, yielding two adsorbed Gibbs free energies associated with two different adsorption configurations singled out by ab initio calculations. They are ( i ) ∼-20 kJ/mol for methanol with its oxygen attached to a low-coordinated surface titanium, and ( ii ) ∼-5 kJ/mol for methanol hydrogen-bonded to a surface oxygen and a neighboring methanol molecule. Despite similar adsorption energetics, the Fermi resonance coupling strength for adsorbed methanol appears to depend sensitively on the surface facet and coverage.

  16. Analysis and theoretical modeling of 18O enriched carbon dioxide spectrum by CRDS near 1.35 μm: (II) 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 and 17O13C18O

    NASA Astrophysics Data System (ADS)

    Karlovets, E. V.; Campargue, A.; Kassi, S.; Tashkun, S. A.; Perevalov, V. I.

    2017-04-01

    This contribution is the second part of the analysis of the room temperature absorption spectrum of 18O enriched carbon dioxide by very high sensitivity Cavity Ring Down spectroscopy between 6977 and 7918 cm-1 (1.43-1.26 μm). Overall, more than 8600 lines belonging to 166 bands of eleven carbon dioxide isotopologues were rovibrationnally assigned. In a first part (Kassi et al. J Quant Spectrosc Radiat Transfer 187 (2017) 414-425, http://dx.doi.org/10.1016/j.jqsrt.2016.09.002), the results relative to mono-substituted isotopologues, 16O12C18O, 16O12C17O, 12C16O2 and 13C16O2, were presented. This second contribution is devoted to the multiply-substituted isotopologues or clumped isotopologues of particular importance in geochemistry: 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 and 17O13C18O. On the basis of the predictions of effective Hamiltonian models, a total of 3195 transitions belonging to 73 bands were rovibrationnally assigned for these seven species. Among the 73 observed bands, 55 are newly reported. All the identified bands correspond to ΔP=10 and 11 series of transitions, where P= 2V1+V2+3V3 is the polyad number (Vi are vibrational quantum numbers). The accurate spectroscopic parameters of 70 bands have been determined from the standard band-by-band analysis. Global fits of the measured line intensities of the ΔP=10 series of transitions of 17O12C18O and 16O13C18O and of the ΔP=11 series of transitions of 12C18O2, 17O12C18O, 16O13C18O and 13C18O2 were performed to determine the corresponding sets of the effective dipole moment parameters.

  17. ZnO thin film piezoelectric MEMS vibration energy harvesters with two piezoelectric elements for higher output performance.

    PubMed

    Wang, Peihong; Du, Hejun

    2015-07-01

    Zinc oxide (ZnO) thin film piezoelectric microelectromechanical systems (MEMS) based vibration energy harvesters with two different designs are presented. These harvesters consist of a silicon cantilever, a silicon proof mass, and a ZnO piezoelectric layer. Design I has a large ZnO piezoelectric element and Design II has two smaller and equally sized ZnO piezoelectric elements; however, the total area of ZnO thin film in two designs is equal. The ZnO thin film is deposited by means of radio-frequency magnetron sputtering method and is characterized by means of XRD and SEM techniques. These ZnO energy harvesters are fabricated by using MEMS micromachining. The natural frequencies of the fabricated ZnO energy harvesters are simulated and tested. The test results show that these two energy harvesters with different designs have almost the same natural frequency. Then, the output performance of different ZnO energy harvesters is tested in detail. The effects of series connection and parallel connection of two ZnO elements on the load voltage and power are also analyzed. The experimental results show that the energy harvester with two ZnO piezoelectric elements in parallel connection in Design II has higher load voltage and higher load power than the fabricated energy harvesters with other designs. Its load voltage is 2.06 V under load resistance of 1 MΩ and its maximal load power is 1.25 μW under load resistance of 0.6 MΩ, when it is excited by an external vibration with frequency of 1300.1 Hz and acceleration of 10 m/s(2). By contrast, the load voltage of the energy harvester of Design I is 1.77 V under 1 MΩ resistance and its maximal load power is 0.98 μW under 0.38 MΩ load resistance when it is excited by the same vibration.

  18. Low Frequency Vibrations Induce Malformations in Two Aquatic Species in a Frequency-, Waveform-, and Direction-Specific Manner

    PubMed Central

    Vandenberg, Laura N.; Stevenson, Claire; Levin, Michael

    2012-01-01

    Environmental toxicants such as industrial wastes, air particulates from machinery and transportation vehicles, and pesticide run-offs, as well as many chemicals, have been widely studied for their effects on human and wildlife populations. Yet other potentially harmful environmental pollutants such as electromagnetic pulses, noise and vibrations have remained incompletely understood. Because developing embryos undergo complex morphological changes that can be affected detrimentally by alterations in physical forces, they may be particularly susceptible to exposure to these types of pollutants. We investigated the effects of low frequency vibrations on early embryonic development of two aquatic species, Xenopus laevis (frogs) and Danio rerio (zebrafish), specifically focusing on the effects of varying frequencies, waveforms, and applied direction. We observed treatment-specific effects on the incidence of neural tube defects, left-right patterning defects and abnormal tail morphogenesis in Xenopus tadpoles. Additionally, we found that low frequency vibrations altered left-right patterning and tail morphogenesis, but did not induce neural tube defects, in zebrafish. The results of this study support the conclusion that low frequency vibrations are toxic to aquatic vertebrates, with detrimental effects observed in two important model species with very different embryonic architectures. PMID:23251546

  19. Vibrational frequencies of transition metal chloride and oxo compounds using effective core potential analytic second derivatives

    NASA Astrophysics Data System (ADS)

    Russo, Thomas V.; Martin, Richard L.; Hay, P. Jeffrey; Rappé, Anthony K.

    1995-06-01

    The application of analytic second derivative techniques to quantum chemical calculations using effective core potentials is discussed. Using a recent implementation of these techniques, the vibrational frequencies of transition metal compounds are calculated including the chlorides TiCl4, ZrCl4, and HfCl4, the oxochlorides CrO2Cl2, MoO2Cl2, WO2Cl2, and VOCl3, and the oxide OsO4. Results are compared to previous calculations and with experimental results.

  20. High frequency vibration characteristics of electric wheel system under in-wheel motor torque ripple

    NASA Astrophysics Data System (ADS)

    Mao, Yu; Zuo, Shuguang; Wu, Xudong; Duan, Xianglei

    2017-07-01

    With the introduction of in-wheel motor, the electric wheel system encounters new vibration problems brought by motor torque ripple excitation. In order to analyze new vibration characteristics of electric wheel system, torque ripple of in-wheel motor based on motor module and vector control system is primarily analyzed, and frequency/order features of the torque ripple are discussed. Then quarter vehicle-electric wheel system (QV-EWS) dynamics model based on the rigid ring tire assumption is established and the main parameters of the model are identified according to tire free modal test. Modal characteristics of the model are further analyzed. The analysis indicates that torque excitation of in-wheel motor is prone to arouse horizontal vibration, in which in-phase rotational, anti-phase rotational and horizontal translational modes of electric wheel system mainly participate. Based on the model, vibration responses of the QV-EWS under torque ripple are simulated. The results show that unlike vertical low frequency (lower than 20 Hz) vibration excited by road roughness, broadband torque ripple will arouse horizontal high frequency (50-100 Hz) vibration of electric wheel system due to participation of the three aforementioned modes. To verify the theoretical analysis, the bench experiment of electric wheel system is conducted and vibration responses are acquired. The experiment demonstrates the high frequency vibration phenomenon of electric wheel system and the measured order features as well as main resonant frequencies agree with simulation results. Through theoretical modeling, analysis and experiments this paper reveals and explains the high frequency vibration characteristics of electric wheel system, providing references for the dynamic analysis, optimal design of QV-EWS.

  1. Vibrational Properties of Anhydrous and Partially Hydrated Uranyl Fluoride

    DOE PAGES

    Anderson, Brian B.; Kirkegaard, Marie C.; Miskowiec, Andrew J.; ...

    2017-01-01

    Uranyl fluoride (UO 2F 2) is a hygroscopic powder with two main structural phases: an anhydrous crystal and a partially hydrated crystal of the same R¯3m symmetry. The formally closed-shell electron structure of anhydrous UO 2F 2 is amenable to density functional theory calculations. We use density functional perturbation theory (DFPT) to calculate the vibrational frequencies of the anhydrous crystal structure and employ complementary inelastic neutron scattering and temperature-dependent Raman scattering to validate those frequencies. As a model closed-shell actinide, we investigated the effect of LDA, GGA, and non-local vdW functionals as well as the spherically-averaged Hubbard +U correction onmore » vibrational frequencies, electronic structure, and geometry of anhydrous UO 2F 2. A particular choice of U eff = 5.5 eV yields the correct U Oyl bond distance and vibrational frequencies for the characteristic Eg and A1g modes that are within the resolution of experiment. Inelastic neutron scattering and Raman scattering suggest a degree of water coupling to the lattice vibrations in the more experimentally accessible partially hydrated UO 2F 2 system, with the symmetric O-U-O stretching vibration shifted approximately 47 cm -1 lower in energy compared to the anhydrous structure. Evidence of water interaction with the uranyl ion is present from a two-peak decomposition of the uranyl stretching vibration in the Raman spectra and anion hydrogen stretching vibrations in the inelastic neutron scattering spectra. A first-order dehydration phase transition temperature is definitively identified to be 125 °C using temperature-dependent Raman scattering.« less

  2. Novel SiO2-deposited CaF2 substrate for vibrational sum-frequency generation (SFG) measurements of chemisorbed monolayers in an aqueous environment.

    PubMed

    Padermshoke, Adchara; Konishi, Shouta; Ara, Masato; Tada, Hirokazu; Ishibashi, Taka-Aki

    2012-06-01

    A novel SiO(2)-deposited CaF(2) (SiO(2)/CaF(2)) substrate for measuring vibrational sum-frequency generation (SFG) spectra of silane-based chemisorbed monolayers in aqueous media has been developed. The substrate is suitable for silanization and transparent over a broad range of the infrared (IR) probe. The present work demonstrates the practical application of the SiO(2)/CaF(2) substrate and, to our knowledge, the first SFG spectrum at the solid/water interface of a silanized monolayer observed over the IR fingerprint region (1780-1400 cm(-1)) using a back-side probing geometry. This new substrate can be very useful for SFG studies of various chemisorbed organic molecules, particularly biological compounds, in aqueous environments.

  3. Improving frequencies range measurement of vibration sensor based on Fiber Bragg Grating (FBG)

    NASA Astrophysics Data System (ADS)

    Qomaruddin; Setiono, A.; Afandi, M. I.

    2017-04-01

    This research aimed to develop a vibration sensor based on Fiber Bragg Grating (FBG). The design was mainly done by attaching FBG at the cantilever. The free-end of the cantilever was tied to a vibration source in order to increase the measurement range of vibration frequencies. The results indicated that the developed sensor was capable of detecting wide range of frequencies (i.e. 10 - 1700 Hz). The results also showed both good stability and repeatability. The measured frequency range was 566 times greater than the range obtained from the previous works.

  4. Internally resonating lattices for bandgap generation and low-frequency vibration control

    NASA Astrophysics Data System (ADS)

    Baravelli, Emanuele; Ruzzene, Massimo

    2013-12-01

    The paper reports on a structural concept for high stiffness and high damping performance. A stiff external frame and an internal resonating lattice are combined in a beam-like assembly which is characterized by high frequency bandgaps and tuned vibration attenuation at low frequencies. The resonating lattice consists of an elastomeric material arranged according to a chiral topology which is designed to resonate at selected frequencies. The concept achieves high damping performance by combining the frequency-selective properties of internally resonating structures, with the energy dissipation characteristics of their constituent material. The flexible ligaments, the circular nodes and the non-central interactions of the chiral topology lead to dynamic deformation patterns which are beneficial to energy dissipation. Furthermore, tuning and grading of the elements of the lattice allows for tailoring of the resonating properties so that vibration attenuation is obtained over desired frequency ranges. Numerical and experimental results demonstrate the tuning flexibility of this concept and suggest its potential application for load-carrying structural members parts of vibration and shock prone systems.

  5. Analysis and compensation of reference frequency mismatch in multiple-frequency feedforward active noise and vibration control system

    NASA Astrophysics Data System (ADS)

    Liu, Jinxin; Chen, Xuefeng; Yang, Liangdong; Gao, Jiawei; Zhang, Xingwu

    2017-11-01

    In the field of active noise and vibration control (ANVC), a considerable part of unwelcome noise and vibration is resulted from rotational machines, making the spectrum of response signal multiple-frequency. Narrowband filtered-x least mean square (NFXLMS) is a very popular algorithm to suppress such noise and vibration. It has good performance since a priori-knowledge of fundamental frequency of the noise source (called reference frequency) is adopted. However, if the priori-knowledge is inaccurate, the control performance will be dramatically degraded. This phenomenon is called reference frequency mismatch (RFM). In this paper, a novel narrowband ANVC algorithm with orthogonal pair-wise reference frequency regulator is proposed to compensate for the RFM problem. Firstly, the RFM phenomenon in traditional NFXLMS is closely investigated both analytically and numerically. The results show that RFM changes the parameter estimation problem of the adaptive controller into a parameter tracking problem. Then, adaptive sinusoidal oscillators with output rectification are introduced as the reference frequency regulator to compensate for the RFM problem. The simulation results show that the proposed algorithm can dramatically suppress the multiple-frequency noise and vibration with an improved convergence rate whether or not there is RFM. Finally, case studies using experimental data are conducted under the conditions of none, small and large RFM. The shaft radial run-out signal of a rotor test-platform is applied to simulate the primary noise, and an IIR model identified from a real steel structure is applied to simulate the secondary path. The results further verify the robustness and effectiveness of the proposed algorithm.

  6. Configurations of high-frequency ultrasonics complex vibration systems for packaging in microelectronics.

    PubMed

    Tsujino, Jiromaru; Harada, Yoshiki; Ihara, Shigeru; Kasahara, Kohei; Shimizu, Masanori; Ueoka, Tetsugi

    2004-04-01

    Ultrasonic high-frequency complex vibrations are effective for various ultrasonic high-power applications. Three types of ultrasonic complex vibration system with a welding tip vibrating elliptical to circular locus for packaging in microelectronics were studied. The complex vibration sources are using (1) a longitudinal-torsional vibration converter with diagonal slits that is driven only by a longitudinal vibration source, (2) a complex transverse vibration rod with several stepped parts that is driven by two longitudinal vibration source crossed at a right angle and (3) a longitudinal vibration circular disk and three longitudinal transducers that are installed at the circumference of the disk.

  7. Eulerian frequency analysis of structural vibrations from high-speed video

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

    Venanzoni, Andrea; Siemens Industry Software NV, Interleuvenlaan 68, B-3001 Leuven; De Ryck, Laurent

    An approach for the analysis of the frequency content of structural vibrations from high-speed video recordings is proposed. The techniques and tools proposed rely on an Eulerian approach, that is, using the time history of pixels independently to analyse structural motion, as opposed to Lagrangian approaches, where the motion of the structure is tracked in time. The starting point is an existing Eulerian motion magnification method, which consists in decomposing the video frames into a set of spatial scales through a so-called Laplacian pyramid [1]. Each scale — or level — can be amplified independently to reconstruct a magnified motionmore » of the observed structure. The approach proposed here provides two analysis tools or pre-amplification steps. The first tool provides a representation of the global frequency content of a video per pyramid level. This may be further enhanced by applying an angular filter in the spatial frequency domain to each frame of the video before the Laplacian pyramid decomposition, which allows for the identification of the frequency content of the structural vibrations in a particular direction of space. This proposed tool complements the existing Eulerian magnification method by amplifying selectively the levels containing relevant motion information with respect to their frequency content. This magnifies the displacement while limiting the noise contribution. The second tool is a holographic representation of the frequency content of a vibrating structure, yielding a map of the predominant frequency components across the structure. In contrast to the global frequency content representation of the video, this tool provides a local analysis of the periodic gray scale intensity changes of the frame in order to identify the vibrating parts of the structure and their main frequencies. Validation cases are provided and the advantages and limits of the approaches are discussed. The first validation case consists of the frequency

  8. Low-frequency vibrational properties of lysozyme in sugar aqueous solutions: A Raman scattering and molecular dynamics simulation study

    NASA Astrophysics Data System (ADS)

    Lerbret, A.; Affouard, F.; Bordat, P.; Hédoux, A.; Guinet, Y.; Descamps, M.

    2009-12-01

    The low-frequency (ω <400 cm-1) vibrational properties of lysozyme in aqueous solutions of three well-known protecting sugars, namely, trehalose, maltose, and sucrose, have been investigated by means of complementary Raman scattering experiments and molecular dynamics simulations. The comparison of the Raman susceptibility χ″(ω) of lysozyme/water and lysozyme/sugar/water solutions at a concentration of 40 wt % with the χ″ of dry lysozyme suggests that the protein dynamics mostly appears in the broad peak around 60-80 cm-1 that reflects the vibrations experienced by atoms within the cage formed by their neighbors, whereas the broad shoulder around 170 cm-1 mainly stems from the intermolecular O-H⋯O stretching vibrations of water. The addition of sugars essentially induces a significant high frequency shift and intensity reduction of this band that reveal a slowing down of water dynamics and a distortion of the tetrahedral hydrogen bond network of water, respectively. Furthermore, the lysozyme vibrational densities of states (VDOS) have been determined from simulations of lysozyme in 37-60 wt % disaccharide aqueous solutions. They exhibit an additional broad peak around 290 cm-1, in line with the VDOS of globular proteins obtained in neutron scattering experiments. The influence of sugars on the computed VDOS mostly appears on the first peak as a slight high-frequency shift and intensity reduction in the low-frequency range (ω <50 cm-1), which increase with the sugar concentration and with the exposition of protein residues to the solvent. These results suggest that sugars stiffen the environment experienced by lysozyme atoms, thereby counteracting the softening of protein vibrational modes upon denaturation, observed at high temperature in the Raman susceptibility of the lysozyme/water solution and in the computed VDOS of unfolded lysozyme in water. Finally, the Raman susceptibility of sugar/water solutions and the calculated VDOS of water in the

  9. Modal analysis of dislocation vibration and reaction attempt frequency

    DOE PAGES

    Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

    2017-02-04

    Transition state theory is a fundamental approach for temporal coarse-graining. It estimates the reaction rate for a transition processes by quantifying the activation free energy and attempt frequency for the unit process. To calculate the transition rate of a gliding dislocation, the attempt frequency is often obtained from line tension estimates of dislocation vibrations, a highly simplified model of dislocation behavior. This work revisits the calculation of attempt frequency for a dislocation bypassing an obstacle, in this case a self-interstitial atom (SIA) loop. First, a direct calculation of the vibrational characteristics of a finite pinned dislocation segment is compared tomore » line tension estimates before moving to the more complex case of dislocation-obstacle bypass. The entropic factor associated with the attempt frequency is calculated for a finite dislocation segment and for an infinite glide dislocation interacting with an SIA loop. Lastly, it is found to be dislocation length independent for three cases of dislocation-self interstitial atom (SIA) loop interactions.« less

  10. An analytical study of the effects of transverse shear deformation and anisotropy on natural vibration frequencies of laminated cylinders

    NASA Technical Reports Server (NTRS)

    Jegley, Dawn C.

    1988-01-01

    Natural vibration frequencies of orthotropic and anisotropic simply supported right circular cylinders are predicted using a higher-order transverse-shear deformation theory. A comparison of natural vibration frequencies predicted by first-order transverse-shear deformation theory and the higher-order theory shows that an additional allowance for transverse shear deformation has a negligible effect on the lowest predicted natural vibration frequencies of laminated cylinders but significantly reduces the higher natural vibration frequencies. A parametric study of the effects of ply orientation on the natural vibration frequencies of laminated cylinders indicates that while stacking sequence affects natural vibration frequencies, cylinder geometry is more important in predicting transverse-shear deformation effects. Interaction curves for cylinders subjected to axial compressive loadings and low natural vibration frequencies indicate that transverse shearing effects are less important in predicting low natural vibration frequencies than in predicting axial compressive buckling loads. The effects of anisotropy are more important than the effects of transverse shear deformation for most strongly anisotropic laminated cylinders in predicting natural vibration frequencies. However, transverse-shear deformation effects are important in predicting high natural vibration frequencies of thick-walled laminated cylinders. Neglecting either anisotropic effects or transverse-shear deformation effects leads to non-conservative errors in predicted natural vibration frequencies.

  11. Self Assembly and Properties of C:WO3 Nano-Platelets and C:VO2/V2O5 Triangular Capsules Produced by Laser Solution Photolysis

    PubMed Central

    2010-01-01

    Laser photolysis of WCl6 in ethanol and a specific mixture of V2O5 and VCl3 in ethanol lead to carbon modified vanadium and tungsten oxides with interesting properties. The presence of graphene’s aromatic rings (from the vibrational frequency of 1,600 cm−1) together with C–C bonding of carbon (from the Raman shift of 1,124 cm−1) present unique optical, vibrational, electronic and structural properties of the intended tungsten trioxide and vanadium dioxide materials. The morphology of these samples shows nano-platelets in WOx samples and, in VOx samples, encapsulated spherical quantum dots in conjunction with fullerenes of VOx. Conductivity studies revealed that the VO2/V2O5 nanostructures are more sensitive to Cl than to the presence of ethanol, whereas the C:WO3 nano-platelets are more sensitive to ethanol than atomic C. PMID:20671779

  12. Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)].

    PubMed

    Frost, Ray L; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

    2015-02-25

    We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485°C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm(-1) is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm(-1) are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm(-1) are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

    2015-02-01

    We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485 °C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm-1 is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm-1 are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm-1 are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite.

  14. Distinct frequency dependent effects of whole-body vibration on non-fractured bone and fracture healing in mice.

    PubMed

    Wehrle, Esther; Wehner, Tim; Heilmann, Aline; Bindl, Ronny; Claes, Lutz; Jakob, Franz; Amling, Michael; Ignatius, Anita

    2014-08-01

    Low-magnitude high-frequency vibration (LMHFV) provokes anabolic effects in non-fractured bone; however, in fracture healing, inconsistent results were reported and optimum vibration conditions remain unidentified. Here, we investigated frequency dependent effects of LMHFV on fracture healing. Twelve-week-old, female C57BL/6 mice received a femur osteotomy stabilized using an external fixator. The mice received whole-body vibrations (20 min/day) with 0.3g peak-to-peak acceleration and a frequency of either 35 or 45 Hz. After 10 and 21 days, the osteotomized femurs and intact bones (contra-lateral femurs, lumbar spine) were evaluated using bending-testing, µ-computed tomography, and histomorphometry. In non-fractured trabecular bone, vibration with 35 Hz significantly increased the relative amount of bone (+28%) and the trabecular number (+29%), whereas cortical bone was not influenced. LMHFV with 45 Hz failed to provoke anabolic effects in trabecular or cortical bone. Fracture healing was not significantly influenced by whole-body vibration with 35 Hz, whereas 45 Hz significantly reduced bone formation (-64%) and flexural rigidity (-34%) of the callus. Although the exact mechanisms remain open, our results suggest that small vibration setting changes could considerably influence LMHFV effects on bone formation in remodeling and repair, and even disrupt fracture healing, implicating caution when treating patients with impaired fracture healing. © 2014 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

  15. Development of a distributed polarization-OTDR to measure two vibrations with the same frequency

    NASA Astrophysics Data System (ADS)

    Pan, Yun; Wang, Feng; Wang, Xiangchuan; Zhang, Mingjiang; Zhou, Ling; Sun, Zhenqing; Zhang, Xuping

    2015-08-01

    A polarization optical time-domain reflectometer (POTDR) can distributedly measure the vibration of fiber by detecting the vibration induced polarization variation only with a polarization analyzer. It has great potential in the monitoring of the border intrusion, structural healthy, anti-stealing of pipeline and so on, because of its simple configuration, fast response speed and distributed measuring ability. However, it is difficult to distinguish two vibrations with the same frequency for POTDR because the signal induced by the first vibration would bury the other vibration induced signal. This paper proposes a simple method to resolve this problem in POTDR by analyzing the phase of the vibration induced signal. The effectiveness of this method in distinguishing two vibrations with the same frequency for POTDR is proved by simulation.

  16. Effect of vibration frequency on agonist and antagonist arm muscle activity.

    PubMed

    Rodríguez Jiménez, Sergio; Benítez, Adolfo; García González, Miguel A; Moras Feliu, Gerard; Maffiuletti, Nicola A

    2015-06-01

    This study aimed to assess the effect of vibration frequency (f out) on the electromyographic (EMG) activity of the biceps brachii (BB) and triceps brachii (TB) muscles when acting as agonist and antagonist during static exercises with different loads. Fourteen healthy men were asked to hold a vibratory bar as steadily as possible for 10 s during lying row (pulling) and bench press (pushing) exercise at f out of 0 (non-vibration condition), 18, 31 and 42 Hz with loads of 20, 50, and 80 % of the maximum sustainable load (MSL). The root mean square of the EMG activity (EMGRMS) of the BB and TB muscles was expressed as a function of the maximal EMGRMS for respective muscles to characterize agonist activation and antagonist coactivation. We found that (1) agonist activation was greater during vibration (42 Hz) compared to non-vibration exercise for the TB but not for the BB muscle (p < 0.05); (2) antagonist activation was greater during vibration compared to non-vibration exercise for both BB (p < 0.01) and TB (p < 0.05) muscles; (3) the vibration-induced increase in antagonist coactivation was proportional to vibration f out in the range 18-42 Hz and (4) the vibration-induced increase in TB agonist activation and antagonist coactivation occurred at all loading conditions in the range 20-80 % MSL. The use of high vibration frequencies within the range of 18-42 Hz can maximize TB agonist activation and antagonist activation of both BB and TB muscles during upper limb vibration exercise.

  17. Continued increase of extreme El Niño frequency long after 1.5 °C warming stabilization

    NASA Astrophysics Data System (ADS)

    Wang, Guojian; Cai, Wenju; Gan, Bolan; Wu, Lixin; Santoso, Agus; Lin, Xiaopei; Chen, Zhaohui; McPhaden, Michael J.

    2017-08-01

    The Paris Agreement aims to constrain global mean temperature (GMT) increases to 2 °C above pre-industrial levels, with an aspirational target of 1.5 °C. However, the pathway to these targets and the impacts of a 1.5 °C and 2 °C warming on extreme El Niño and La Niña events--which severely influence weather patterns, agriculture, ecosystems, public health and economies--is little known. Here, by analysing climate models participating in the Climate Model Intercomparison Project's Phase 5 (CMIP5; ref. ) under a most likely emission scenario, we demonstrate that extreme El Niño frequency increases linearly with the GMT towards a doubling at 1.5 °C warming. This increasing frequency of extreme El Niño events continues for up to a century after GMT has stabilized, underpinned by an oceanic thermocline deepening that sustains faster warming in the eastern equatorial Pacific than the off-equatorial region. Ultimately, this implies a higher risk of extreme El Niño to future generations after GMT rise has halted. On the other hand, whereas previous research suggests extreme La Niña events may double in frequency under the 4.5 °C warming scenario, the results presented here indicate little to no change under 1.5 °C or 2 °C warming.

  18. Effects of Frequency and Acceleration Amplitude on Osteoblast Mechanical Vibration Responses: A Finite Element Study

    PubMed Central

    Hsu, Hung-Yao

    2016-01-01

    Bone cells are deformed according to mechanical stimulation they receive and their mechanical characteristics. However, how osteoblasts are affected by mechanical vibration frequency and acceleration amplitude remains unclear. By developing 3D osteoblast finite element (FE) models, this study investigated the effect of cell shapes on vibration characteristics and effect of acceleration (vibration intensity) on vibrational responses of cultured osteoblasts. Firstly, the developed FE models predicted natural frequencies of osteoblasts within 6.85–48.69 Hz. Then, three different levels of acceleration of base excitation were selected (0.5, 1, and 2 g) to simulate vibrational responses, and acceleration of base excitation was found to have no influence on natural frequencies of osteoblasts. However, vibration response values of displacement, stress, and strain increased with the increase of acceleration. Finally, stress and stress distributions of osteoblast models under 0.5 g acceleration in Z-direction were investigated further. It was revealed that resonance frequencies can be a monotonic function of cell height or bottom area when cell volumes and material properties were assumed as constants. These findings will be useful in understanding how forces are transferred and influence osteoblast mechanical responses during vibrations and in providing guidance for cell culture and external vibration loading in experimental and clinical osteogenesis studies. PMID:28074178

  19. 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

  20. The Influence of Various Vibration Frequency on Barium Sulfate Scale Formation Of Vibrated Piping System In The Presence Citric Acid

    NASA Astrophysics Data System (ADS)

    Karaman, N.; Mangestiyono, W.; Muryanto, S.; Jamari, J.; Bayuseno, A. P.

    2018-01-01

    In this paper, the influence of vibrated piping system for BaSO4 scale formation was investigated. The vibration frequency and presence of citric acid were independent variables determining the kinetics, mass deposit and polymorph of the crystals. Correspondingly, induction time and mass of scale were obtained during the experiments. The crystalline scale was observed by scanning electron microscopy (SEM) and X-Ray Diffraction (XRD) to investigate the morphology and the phase mineral deposits, respectively. This effect indicated that the increase in vibration frequency promoted the increased deposition rate, while the pure barite with a plate-like morphology was produced in the experiments.

  1. Dependence of palmar sweating response and central nervous system activity on the frequency of whole-body vibration.

    PubMed

    Ando, Hideo; Noguchi, Ryo

    2003-06-01

    This study was carried out to determine the effects of the frequency of whole-body vibration on palmar sweating response and the activity of the central sympathetic nervous system. Palmar sweating volume was measured on the right palm of six healthy men before and during 3 minutes of exposure to sinusoidal whole-body vibration at three different frequencies (16, 31.5, and 63 Hz). The whole-body vibration had a frequency-weighted, root mean square (rms) acceleration magnitude of 2.0 m/s2. As the index of the activated central sympathetic nervous system, saliva level of 3-methoxy-4-hydroxyphenylglycol (MHPG) was analyzed before and immediately after each vibration exposure. Each vibration frequency induced a palmar sweating response, that of 31.5 Hz being the largest. However, no significant difference was found between the three vibration conditions. Saliva MHPG increased in all the vibration exposures, and the largest change was observed at 31.5 Hz, the difference being significant. Acute exposure to whole-body vibration induced a palmar sweating response and activated the central sympathetic nervous system. The effects on the central nervous system were found to be dependent on the frequency of the vibration.

  2. Resonant frequency function of thickness-shear vibrations of rectangular crystal plates.

    PubMed

    Wang, Ji; Yang, Lijun; Pan, Qiaoqiao; Chao, Min-Chiang; Du, Jianke

    2011-05-01

    The resonant frequencies of thickness-shear vibrations of quartz crystal plates in rectangular and circular shapes are always required in the design and manufacturing of quartz crystal resonators. As the size of quartz crystal resonators shrinks, for rectangular plates we must consider effects of both length and width for the precise calculation of resonant frequency. Starting from the three-dimensional equations of wave propagation in finite crystal plates and the general expression of vibration modes, we obtained the relations between frequency and wavenumbers. By satisfying the major boundary conditions of the dominant thickness-shear mode, three wavenumber solutions are obtained and the frequency equation is constructed. It is shown the resonant frequency of thickness-shear mode is a second-order polynomial of aspect ratios. This conforms to known results in the simplest form and is applicable to further analytical and experimental studies of the frequency equation of quartz crystal resonators.

  3. Molecular adsorption at electrolyte/α-Al2O3 interface of aluminum electrolytic capacitor revealed by sum frequency vibrational spectroscopy.

    PubMed

    Jia, Ming; Hu, Xiaoyu; Liu, Jin; Liu, Yexiang; Ai, Liang

    2017-05-21

    The operating voltage of an aluminum electrolytic capacitor is determined by the breakdown voltage (U b ) of the Al 2 O 3 anode. U b is related to the molecular adsorption at the Al 2 O 3 /electrolyte interface. Therefore, we have employed sum-frequency vibrational spectroscopy (SFVS) to study the adsorption states of a simple electrolyte, ethylene glycol (EG) solution with ammonium adipate, on an α-Al 2 O 3 surface. In an acidic electrolyte (pH < 6), the Al 2 O 3 surface is positively charged. The observed SFVS spectra show that long chain molecules poly ethylene glycol and ethylene glycol adipate adopt a "lying" orientation at the interface. In an alkaline electrolyte (pH > 8), the Al 2 O 3 surface is negatively charged and the short chain EG molecules adopt a "tilting" orientation. The U b results exhibit a much higher value at pH < 6 compared with that at pH > 8. Since the "lying" long chain molecules cover and protect the Al 2 O 3 surface, U b increases with a decrease of pH. These findings provide new insights to study the breakdown mechanisms and to develop new electrolytes for high operating voltage capacitors.

  4. Effects of Amplitude and Frequency of Mechanical Vibration Stimulation on Cultured Osteoblasts

    NASA Astrophysics Data System (ADS)

    Shikata, Tetsuo; Shiraishi, Toshihiko; Morishita, Shin; Takeuchi, Ryohei; Saito, Tomoyuki

    Mechanical stimulation to bones affects bone formation such as decrease of bone mass of astronauts under zero gravity, walking rehabilitation to bone fracture and fracture repair with ultrasound devices. Bone cells have been reported to sense and response to mechanical stimulation at cellular level morphologically and metabolically. In the view of mechanical vibrations, bone cells are deformed according to mechanical stimulation and their mechanical characteristics. In this study, sinusoidal inertia force was applied to cultured osteoblasts, which are a kind of bone cells, and effects of frequency and acceleration amplitude of mechanical vibration on the cells were investigated in respect of the cell proliferation, bone matrix generation and alkaline phosphatase (ALP) gene expression. The results to be obtained are as follows. The significant difference of cell density and bone mass generation between the non-vibrating and vibrating groups is found. ALP gene expression shows a peak to frequency at 50 Hz and the value of it is approximately 4.5 times as high as that of the non-vibrating group in the case of the acceleration amplitude of 0.5 G. ALP gene expression at 0.5 G is significantly larger than at 0, 0.125 or 0.25 G in the case of the frequency of 50 Hz.

  5. Cross-Propagation Sum-Frequency Generation Vibrational Spectroscopy

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

    Fu, Li; Chen, Shun-li; Gan, Wei

    2016-02-27

    Here we report the theory formulation and the experiment realization of sum-frequency generation vibrational spectroscopy (SFG-VS) in the cross-propagation (XP) geometry or configuration. In the XP geometry, the visible and the infrared (IR) beams in the SFG experiment are delivered to the same location on the surface from visible and IR incident planes perpendicular to each other, avoiding the requirement to have windows or optics to be transparent to both the visible and IR frequencies. Therefore, the XP geometry is applicable to study surfaces in the enclosed vacuum or high pressure chambers with far infrared (FIR) frequencies that can directlymore » access the metal oxide and other lower frequency surface modes, with much broader selection of visible and IR transparent window materials.« less

  6. Multiplexed direct-frequency-comb Vernier spectroscopy of carbon dioxide 2ν1 + ν3 ro-vibrational combination band

    NASA Astrophysics Data System (ADS)

    Siciliani de Cumis, M.; Eramo, R.; Coluccelli, N.; Galzerano, G.; Laporta, P.; Cancio Pastor, P.

    2018-03-01

    We investigated a set of nineteen 12C16O2 transitions of the 2ν1 + ν3 ro-vibrational band in the spectral region from 5064 to 5126 cm-1 at different pressures, using frequency-comb Vernier spectroscopy. Our spectrometer enabled the systematic acquisition of molecular absorption profiles with high precision. Spectroscopic parameters, namely, transition frequency, linestrength, and self-pressure broadening coefficient, have been accurately determined by using a global fit procedure. These data are in agreement with theoretical values contained in HITRAN2016 database [I. E. Gordon et al., J. Quant. Spectrosc. Radiat. Transfer 203, 3-69 (2017)] at the same precision level. A moderate improvement of the line intensity determinations, by a factor 1.5 in the best case [P(10) transition at 5091.6 cm-1], should be noticed, projecting direct-comb-Vernier-spectroscopy as an adequate tool for spectral intensity calibration.

  7. [Low-frequency vibrations of a Mg pyropheophorbide-histidine complex].

    PubMed

    Klevanic, A V; Shuvalov, V A

    2001-01-01

    The spectrum of vibrations and normal model for the Mg piropheophorbide-histidine complex was calculated using the MNDO-PM3 (MOPAC) semiempirical quantum chemical method. The delocalization index and the distribution function were introduced to describe the shape of normal vibrations. The greatest part (approximately 65%) of the low-frequency vibrations (1-400 cm-1) was shown to delocalize over both the His and Mg piropheophorbide molecules. Leu, Met, and Asp were also studied as the fifth ligand to the Mg piropheophorbide molecule. It is concluded that the fifth amino acid ligand to porphyrin molecules causes marked geometrical distortions in porphyrin, and induces a new, compared to four coordinated pigment, spectrum of normal modes.

  8. Measuring frequency of one-dimensional vibration with video camera using electronic rolling shutter

    NASA Astrophysics Data System (ADS)

    Zhao, Yipeng; Liu, Jinyue; Guo, Shijie; Li, Tiejun

    2018-04-01

    Cameras offer a unique capability of collecting high density spatial data from a distant scene of interest. They can be employed as remote monitoring or inspection sensors to measure vibrating objects because of their commonplace availability, simplicity, and potentially low cost. A defect of vibrating measurement with the camera is to process the massive data generated by camera. In order to reduce the data collected from the camera, the camera using electronic rolling shutter (ERS) is applied to measure the frequency of one-dimensional vibration, whose frequency is much higher than the speed of the camera. Every row in the image captured by the ERS camera records the vibrating displacement at different times. Those displacements that form the vibration could be extracted by local analysis with sliding windows. This methodology is demonstrated on vibrating structures, a cantilever beam, and an air compressor to identify the validity of the proposed algorithm. Suggestions for applications of this methodology and challenges in real-world implementation are given at last.

  9. Storage capacity and vibration frequencies of guest molecules in CH4 and CO2 hydrates by first-principles calculations.

    PubMed

    Cao, Xiaoxiao; Su, Yan; Liu, Yuan; Zhao, Jijun; Liu, Changling

    2014-01-09

    Using first-principle calculations at B97-D/6-311++G(2d,2p) level, we systematically explore the gas capacity of five standard water cavities (5(12), 4(3)5(6)6(3), 5(12)6(2), 5(12)6(4), and 5(12)6(8)) in clathrate hydrate and study the inclusion complexes to infer general trends in vibrational frequencies of guest molecules as a function of cage size and number of guest molecules. In addition, the Raman spectra of hydrates from CO2/CH4 gases are simulated. From our calculations, the maximum cage occupancy of the five considered cages (5(12), 4(3)5(6)6(3), 5(12)6(2), 5(12)6(4), and 5(12)6(8)) is one, one, two, three, and seven for both CH4 and CO2 guest molecules, respectively. Meanwhile, the optimum cage occupancy are one, one, one, two, and four for CO2 molecules and one, one, two, three, and five for CH4 molecules, respectively. Both the C-H stretching frequency of CH4 and the C-O stretching frequency of CO2 gradually decrease as size of the water cages increases. Meanwhile, the C-H stretching frequency gradually increases as the amount of CH4 molecules in the water cavity (e.g., 5(12)6(8)) increases.

  10. 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.

  11. Trunk isometric force production parameters during erector spinae muscle vibration at different frequencies

    PubMed Central

    2013-01-01

    Background Vibration is known to alter proprioceptive afferents and create a tonic vibration reflex. The control of force and its variability are often considered determinants of motor performance and neuromuscular control. However, the effect of vibration on paraspinal muscle control and force production remains to be determined. Methods Twenty-one healthy adults were asked to perform isometric trunk flexion and extension torque at 60% of their maximal voluntary isometric contraction, under three different vibration conditions: no vibration, vibration frequencies of 30 Hz and 80 Hz. Eighteen isometric contractions were performed under each condition without any feedback. Mechanical vibrations were applied bilaterally over the lumbar erector spinae muscles while participants were in neutral standing position. Time to peak torque (TPT), variable error (VE) as well as constant error (CE) and absolute error (AE) in peak torque were calculated and compared between conditions. Results The main finding suggests that erector spinae muscle vibration significantly decreases the accuracy in a trunk extension isometric force reproduction task. There was no difference between both vibration frequencies with regard to force production parameters. Antagonist muscles do not seem to be directly affected by vibration stimulation when performing a trunk isometric task. Conclusions The results suggest that acute erector spinae muscle vibration interferes with torque generation sequence of the trunk by distorting proprioceptive information in healthy participants. PMID:23919578

  12. The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

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

    Jiang, Jun; Park, G. Barratt; Field, Robert W.

    A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

  13. The rotation-vibration structure of the SO 2 C 1B 2 state explained by a new internal coordinate force field

    DOE PAGES

    Jiang, Jun; Park, G. Barratt; Field, Robert W.

    2016-04-14

    A new quartic force field for the SO 2 C ~ 1B 2 state has been derived, based on high resolution data from S 16O 2 and S 18O 2. Included are eight b 2 symmetry vibrational levels of S 16O 2 reported in the first paper of this series [G. B. Park, et al., J. Chem. Phys. 144, 144311 (2016)]. Many of the experimental observables not included in the fit, such as the Franck-Condon intensities and the Coriolis-perturbed effective C rotational constants of highly anharmonic C ~ state vibrational levels, are well reproduced using our force field. Because themore » two stretching modes of the C ~ state are strongly coupled via Fermi-133 interaction, the vibrational structure of the C state is analyzed in a Fermi-system basis set, constructed explicitly in this work via partial diagonalization of the vibrational Hamiltonian. The physical significance of the Fermi-system basis is discussed in terms of semiclassical dynamics, based on study of Fermi-resonance systems by Kellman and coworkers [M. E. Kellman and L. Xiao, J. Chem. Phys. 93, 5821 (1990)]. By diagonalizing the vibrational Hamiltonian in the Fermi-system basis, the vibrational characters of all vibrational levels can be determined unambiguously. It is shown that the bending mode cannot be treated separately from the coupled stretching modes, particularly at vibrational energies of more than 2000 cm –1. Based on our force field, the structure of the Coriolis interactions in the C ~ state of SO 2 is also discussed. As a result, we identify the origin of the alternating patterns in the effective C rotational constants of levels in the vibrational progressions of the symmetry-breaking mode, ν β (which correlates with the antisymmetric stretching mode in our assignment scheme).« less

  14. An Analysis of the High Frequency Vibrations in Early Thematic Mapper Scenes

    NASA Technical Reports Server (NTRS)

    Kogut, J.; Larduinat, E.

    1985-01-01

    The motion of the mirrors in the thematic mapper (TM) and multispectral scanner (MSS) instruments, and the motion of other devices, such as the TDRSS antenna drive, and solar array drives onboard LANDSAT-4 cause vibrations to propagate through the spacecraft. These vibrations as well as nonlinearities in the scanning motion of the TM mirror can cause the TM detectors to point away from their nominal positions. Two computer programs, JITTER and SCDFT, were developed as part of the LANDSAT-D Assessment System (LAS), Products and Procedures Analysis (PAPA) program to evaluate the potential effect of high frequency vibrations on the final TM image. The maximum overlap and underlap which were observed for early TM scenes are well within specifications for the ground processing system. The cross scan and scan high frequency vibrations are also within the specifications cited for the flight system.

  15. Nonlinear Vibrational Spectroscopy: a Method to Study Vibrational Self-Trapping

    NASA Astrophysics Data System (ADS)

    Hamm, Peter; Edler, Julian

    We review the capability of nonlinear vibrational spectroscopy to study vibrational self-trapping in hydrogen-bonded molecular crystals. For that purpose, the two relevant coupling mechanisms, excitonic coupling and nonlinear exciton-phonon coupling, are first introduced separately using appropriately chosen molecular systems as examples. Both coupling mechanisms are subsequently combined, yielding vibrational selftrapping. The experiments unambiguously prove that both the N-H and the C=O band of crystalline acetanilide (ACN), a model system for proteins, show vibrational self-trapping. The C=O band is self-trapped only at low enough temperature, while thermally induced disorder destroys the mechanism at room temperature. The binding energy of the N-H band, on the other hand, is considerably larger and self-trapping survives thermal fluctuations even at room temperature.

  16. Higher-order vibrational mode frequency tuning utilizing fishbone-shaped microelectromechanical systems resonator

    NASA Astrophysics Data System (ADS)

    Suzuki, Naoya; Tanigawa, Hiroshi; Suzuki, Kenichiro

    2013-04-01

    Resonators based on microelectromechanical systems (MEMS) have received considerable attention for their applications for wireless equipment. The requirements for this application include small size, high frequency, wide bandwidth and high portability. However, few MEMS resonators with wide-frequency tuning have been reported. A fishbone-shaped resonator has a resonant frequency with a maximum response that can be changed according to the location and number of several exciting electrodes. Therefore, it can be expected to provide wide-frequency tuning. The resonator has three types of electrostatic forces that can be generated to deform a main beam. We evaluate the vibrational modes caused by each exciting electrodes by comparing simulated results with measured ones. We then successfully demonstrate the frequency tuning of the first to fifth resonant modes by using the algorithm we propose here. The resulting frequency tuning covers 178 to 1746 kHz. In addition, we investigate the suppression of the anchor loss to enhance the Q-factor. An experiment shows that tapered-shaped anchors provide a higher Q-factor than rectangular-shaped anchors. The Q-factor of the resonators supported by suspension beams is also discussed. Because the suspension beams cause complicated vibrational modes for higher frequencies, the enhancement of the Q-factor for high vibrational modes cannot be obtained here. At present, the tapered-anchor resonators are thought to be most suitable for frequency tuning applications.

  17. Crystal structure, vibrational and DFT simulation studies of melaminium dihydrogen phosphite monohydrate

    NASA Astrophysics Data System (ADS)

    Arjunan, V.; Kalaivani, M.; Marchewka, M. K.; Mohan, S.

    2013-08-01

    The crystal structure investigations of melamine with phosphorous acid, namely melaminium dihydrogenphosphite monohydrate (C3N6H7·H2PO3·H2O) have been investigated by means of single crystal X-ray diffraction method. The title compound crystallizes in monoclinic crystal system, and the space group is P21/c with a = 10.069 Å, b = 21.592 Å, c = 12.409 Å and Z = 12. The vibrational assignments and analysis of melaminium dihydrogen phosphite monohydrate have also been performed by FTIR, FT-Raman and far-infrared spectral studies. The quantum chemical simulations were performed with DFT (B3LYP) method using 6-31G**, cc-pVTZ, and 6-311++G** basis sets to determine the energy, structural, thermodynamic parameters and vibrational frequencies of melaminium dihydrogen phosphite monohydrate. The hydrogen atom from phosphorous acid was transferred to the melamine molecule giving the singly protonated melaminium cation. The ability of ions to form spontaneous three-dimensional structure through weak Osbnd H···O and Nsbnd H···O hydrogen bonds shows notable vibrational effects.

  18. Anharmonic quantum contribution to vibrational dephasing.

    PubMed

    Barik, Debashis; Ray, Deb Shankar

    2004-07-22

    Based on a quantum Langevin equation and its corresponding Hamiltonian within a c-number formalism we calculate the vibrational dephasing rate of a cubic oscillator. It is shown that leading order quantum correction due to anharmonicity of the potential makes a significant contribution to the rate and the frequency shift. We compare our theoretical estimates with those obtained from experiments for small diatomics N(2), O(2), and CO.

  19. Seal Whiskers Vibrate Over Broad Frequencies During Hydrodynamic Tracking.

    PubMed

    Murphy, Christin T; Reichmuth, Colleen; Eberhardt, William C; Calhoun, Benton H; Mann, David A

    2017-08-21

    Although it is known that seals can use their whiskers (vibrissae) to extract relevant information from complex underwater flow fields, the underlying functioning of the system and the signals received by the sensors are poorly understood. Here we show that the vibrations of seal whiskers may provide information about hydrodynamic events and enable the sophisticated wake-tracking abilities of these animals. We developed a miniature accelerometer tag to study seal whisker movement in situ. We tested the ability of the tag to measure vibration in excised whiskers in a flume in response to laminar flow and disturbed flow. We then trained a seal to wear the tag and follow an underwater hydrodynamic trail to measure the whisker signals available to the seal. The results showed that whiskers vibrated at frequencies of 100-300 Hz, with a dynamic response. These measurements are the first to capture the incoming signals received by the vibrissae of a live seal and show that there are prominent signals at frequencies where the seal tactogram shows good sensitivity. Tapping into the mechanoreceptive interface between the animal and the environment may help to decipher the functional basis of this extraordinary hydrodynamic detection ability.

  20. Dynamic stiffness of chemically and physically ageing rubber vibration isolators in the audible frequency range: Part 2—waveguide solution

    NASA Astrophysics Data System (ADS)

    Kari, Leif

    2017-09-01

    The dynamic stiffness of a chemically and physically ageing rubber vibration isolator in the audible frequency range is modelled as a function of ageing temperature, ageing time, actual temperature, time, frequency and isolator dimension. In particular, the dynamic stiffness for an axially symmetric, homogeneously aged rubber vibration isolator is derived by waveguides where the eigenmodes given by the dispersion relation for an infinite cylinder satisfying traction free radial surface boundary condition are matched to satisfy the displacement boundary conditions at the lateral surface ends of the finite rubber cylinder. The constitutive equations are derived in a companion paper (Part 1). The dynamic stiffness is calculated over the whole audible frequency range 20-20,000 Hz at several physical ageing times for a temperature history starting at thermodynamic equilibrium at +25°C and exposed by a sudden temperature step down to -60°C and at several chemical ageing times at temperature +25°C with simultaneous molecular network scission and reformation. The dynamic stiffness results are displaying a strong frequency dependence at a short physical ageing time, showing stiffness magnitude peaks and troughs, and a strong physical ageing time dependence, showing a large stiffness magnitude increase with the increased physical ageing time, while the peaks and troughs are smoothed out. Likewise, stiffness magnitude peaks and troughs are frequency-shifted with increased chemical ageing time. The developed model is possible to apply for dynamic stiffness prediction of rubber vibration isolator over a broad audible frequency range under realistic environmental condition of chemical ageing, mainly attributed to oxygen exposure from outside and of physical ageing, primarily perceived at low-temperature steps.

  1. Vibrations of Bladed Disk Assemblies

    DTIC Science & Technology

    1991-03-29

    34, Contract Report to Gas Trubines, General Motors Corp., Indianapolis (31 pages). 3 Afolabi, D., 1982, "Some Vibration Characteristics of an Aeroengine ...10. SOUACIOFPUNOiNG NO. Bolling Air Force Base PROGRAM 0mo.0aC-r TASK "o mW Washington, D.C. 20332-6448 1 LFAANT NO. No. N. O Vibrations of Bladed Disk...identfy by loC* n u r) 011LO . 0.ou* sum G. Blade vibrations , singularity theory, singular perturbation analysis, mode localization iS. AST.OACT

  2. Vibrational dephasing and frequency shifts of hydrogen-bonded pyridine-water complexes

    NASA Astrophysics Data System (ADS)

    Kalampounias, A. G.; Tsilomelekis, G.; Boghosian, S.

    2015-01-01

    In this paper we present the picosecond vibrational dynamics and Raman shifts of hydrogen-bonded pyridine-water complexes present in aqueous solutions in a wide concentration range from dense to extreme dilute solutions. We studied the vibrational dephasing and vibrational frequency modulation by calculating time correlation functions of vibrational relaxation by fits in the frequency domain. The concentration induced variations in bandwidths, band frequencies and characteristic dephasing times have been estimated and interpreted as effects due to solute-solvent interactions. The time-correlation functions of vibrational dephasing were obtained for the ring breathing mode of both "free" and hydrogen-bonded pyridine molecules and it was found that sufficiently deviate from the Kubo model. There is a general agreement in the whole concentration range with the modeling proposed by the Rothschild approach, which applies to complex liquids. The results have shown that the reorientation of pyridine aqueous solutions is very slow and hence in both scattering geometries only vibrational dephasing is probed. It is proposed that the spectral changes depend on the perturbations induced by the dynamics of the water molecules in the first hydration cell and water in bulk, while at extreme dilution conditions, the number of bulk water molecules increases and the interchange between molecules belonging to the first hydration cell may not be the predominant modulation mechanism. The evolution of several parameters, such as the characteristic times, the percentage of Gaussian character in the peak shape and the a parameter are indicative of drastic variations at extreme dilution revealing changes in the vibrational relaxation of the pyridine complexes in the aqueous environment. The higher dilution is correlated to diffusion of water molecules into the reference pyridine system in agreement with the jump diffusion model, while at extreme dilutions, almost all pyridine molecules are

  3. Low frequency vibration induced streaming in a Hele-Shaw cell

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

    Costalonga, M., E-mail: maxime.costalonga@univ-paris-diderot.fr; Laboratoire Matière et Systèmes Complexes, UMR CNRS 7057, Université Paris Diderot, 10 rue Alice Domon et Léonie Duquet, 75205 Paris cedex 13; Brunet, P.

    When an acoustic wave propagates in a fluid, it can generate a second order flow whose characteristic time is much longer than the period of the wave. Within a range of frequency between ten and several hundred Hz, a relatively simple and versatile way to generate streaming flow is to put a vibrating object in the fluid. The flow develops vortices in the viscous boundary layer located in the vicinity of the source of vibrations, leading in turn to an outer irrotational streaming called Rayleigh streaming. Because the flow originates from non-linear time-irreversible terms of the Navier-Stokes equation, this phenomenonmore » can be used to generate efficient mixing at low Reynolds number, for instance in confined geometries. Here, we report on an experimental study of such streaming flow induced by a vibrating beam in a Hele-Shaw cell of 2 mm span using long exposure flow visualization and particle-image velocimetry measurements. Our study focuses especially on the effects of forcing frequency and amplitude on flow dynamics. It is shown that some features of this flow can be predicted by simple scaling arguments and that this vibration-induced streaming facilitates the generation of vortices.« less

  4. Normal vibrational modes of phospholipid bilayers observed by low-frequency Raman scattering

    NASA Astrophysics Data System (ADS)

    Surovtsev, N. V.; Dmitriev, A. A.; Dzuba, S. A.

    2017-03-01

    Low-frequency Raman spectra of multilamellar vesicles made either of 1-palmitoyl-2-oleoyl-s n -glycero-3-phosphocholine (POPC) or 1,2-dipalmitoyl-s n -glycero-3-phosphocholine (DPPC) have been studied in a wide temperature range. Below 0 ∘C two peaks are found at frequencies around 8-9 and 14 -17 c m -1 and attributed to the normal vibrational modes of the phospholipid bilayer, which are determined by the bilayer thickness and stiffness (elastic modulus). The spectral positions of the peaks depend on the temperature and the bilayer composition. It is suggested that the ratio of the intensities of the first and second peaks can serve as a measure of the interleaflet elastic coupling. The addition of cholesterol to the phospholipid bilayer leads to peak shift and broadening, which may be assigned to the composition heterogeneities commonly attributed to the lipid raft formation.

  5. Seat vibration in military propeller aircraft: characterization, exposure assessment, and mitigation.

    PubMed

    Smith, Suzanne D

    2006-01-01

    There have been increasing reports of annoyance, fatigue, and even neck and back pain during prolonged operation of military propeller aircraft, where persistent multi-axis vibration occurs at higher frequencies beyond human whole-body resonance. This paper characterizes and assesses the higher frequency vibration transmitted to the occupants onboard these aircraft. Multi-axis accelerations were measured at the occupied seating surfaces onboard the WC/C-130J, C-130H3, and E-2C Hawkeye. The effects of the vibration were assessed in accordance with current international guidelines (ISO 2631-1:1997). The relative psychophysical effects of the frequency components and the effects of selected mitigation strategies were also investigated. The accelerations associated with the blade passage frequency measured on the passenger seat pans located on the side of the fuselage near the propeller plane of the C-130J (102 Hz) and C-130H3 (68 Hz) were noteworthy (5.19 +/- 1.72 ms(-2) rms and 7.65 +/- 0.71 ms(-2) rms, respectively, in the lateral direction of the aircraft). The psychophysical results indicated that the higher frequency component would dominate the side passengers' perception of the vibration. Balancing the props significantly reduced the lower frequency propeller rotation vibration (17 Hz), but had little effect on the blade passage frequency vibration. The relationships among the frequency, vibration direction, and seat measurement sites were complex, challenging the development of seating systems and mitigation strategies. Psychophysical metrics could provide a tool for optimizing mitigation strategies, but the current international vibration standard may not provide optimum assessment methods for evaluating higher frequency operational exposures.

  6. Theoretical predictions of vibration-rotation-tunneling dynamics of the weakly bound trimer (H 2O) 2HCl

    NASA Astrophysics Data System (ADS)

    Struniewicz, Cezary; Korona, Tatiana; Moszynski, Robert; Milet, Anne

    2001-08-01

    In this Letter we report a theoretical study of the vibration-rotation-tunneling (VRT) states of the (H 2O) 2HCl trimer. Five degrees of freedom are considered: two angles corresponding to the torsional (flipping) motions of the free, non-hydrogen-bonded, hydrogen atoms in the complex, and three angles describing the overall rotation of the trimer in the space. A two-dimensional potential energy surface is generated ab initio by symmetry-adapted perturbation theory (SAPT). Tunneling splittings, frequencies of the intermolecular vibrations, and vibrational line strengths of spectroscopic transitions are predicted.

  7. Vibration-tolerant narrow-linewidth semiconductor disk laser using novel frequency-stabilisation schemes

    NASA Astrophysics Data System (ADS)

    Hunter, Craig R.; Jones, Brynmor E.; Schlosser, Peter; Sørensen, Simon Toft; Strain, Michael J.; McKnight, Loyd J.

    2018-02-01

    This paper will present developments in narrow-linewidth semiconductor-disk-laser systems using novel frequencystabilisation schemes for reduced sensitivity to mechanical vibrations, a critical requirement for mobile applications. Narrow-linewidth single-frequency lasers are required for a range of applications including metrology and highresolution spectroscopy. Stabilisation of the laser was achieved using a monolithic fibre-optic ring resonator with free spectral range of 181 MHz and finesse of 52 to act as passive reference cavity for the laser. Such a cavity can operate over a broad wavelength range and is immune to a wide band of vibrational frequency noise due to its monolithic implementation. The frequency noise of the locked system has been measured and compared to typical Fabry-Perotlocked lasers using vibration equipment to simulate harsh environments, and analysed here. Locked linewidths of < 40 kHz have been achieved. These developments offer a portable, narrow-linewidth laser system for harsh environments that can be flexibly designed for a range of applications.

  8. Electrostatic energy harvesting device with dual resonant structure for wideband random vibration sources at low frequency.

    PubMed

    Zhang, Yulong; Wang, Tianyang; Zhang, Ai; Peng, Zhuoteng; Luo, Dan; Chen, Rui; Wang, Fei

    2016-12-01

    In this paper, we present design and test of a broadband electrostatic energy harvester with a dual resonant structure, which consists of two cantilever-mass subsystems each with a mass attached at the free edge of a cantilever. Comparing to traditional devices with single resonant frequency, the proposed device with dual resonant structure can resonate at two frequencies. Furthermore, when one of the cantilever-masses is oscillating at resonance, the vibration amplitude is large enough to make it collide with the other mass, which provides strong mechanical coupling between the two subsystems. Therefore, this device can harvest a decent power output from vibration sources at a broad frequency range. During the measurement, continuous power output up to 6.2-9.8 μW can be achieved under external vibration amplitude of 9.3 m/s 2 at a frequency range from 36.3 Hz to 48.3 Hz, which means the bandwidth of the device is about 30% of the central frequency. The broad bandwidth of the device provides a promising application for energy harvesting from the scenarios with random vibration sources. The experimental results indicate that with the dual resonant structure, the vibration-to-electricity energy conversion efficiency can be improved by 97% when an external random vibration with a low frequency filter is applied.

  9. Low-Magnitude, High-Frequency Vibration Fails to Accelerate Ligament Healing but Stimulates Collagen Synthesis in the Achilles Tendon.

    PubMed

    Thompson, William R; Keller, Benjamin V; Davis, Matthew L; Dahners, Laurence E; Weinhold, Paul S

    2015-05-01

    Low-magnitude, high-frequency vibration accelerates fracture and wound healing and prevents disuse atrophy in musculoskeletal tissues. To investigate the role of low-magnitude, high-frequency vibration as a treatment to accelerate healing of an acute ligament injury and to examine gene expression in the intact Achilles tendon of the injured limb after low-magnitude, high-frequency vibration. Controlled laboratory study. Complete surgical transection of the medial collateral ligament (MCL) was performed in 32 Sprague-Dawley rats, divided into control and low-magnitude, high-frequency vibration groups. Low-magnitude, high-frequency vibration started on postoperative day 2, and rats received vibration for 30 minutes a day for 12 days. All rats were sacrificed 2 weeks after the operation, and their intact and injured MCLs were biomechanically tested or used for histological analysis. Intact Achilles tendons from the injured limb were evaluated for differences in gene expression. Mechanical testing revealed no differences in the ultimate tensile load or the structural stiffness between the control and vibration groups for either the injured or intact MCL. Vibration exposure increased gene expression of collagen 1 alpha (3-fold), interleukin 6 (7-fold), cyclooxygenase 2 (5-fold), and bone morphogenetic protein 12 (4-fold) in the intact Achilles tendon when compared with control tendons ( P < .05). While no differences were observed in the mechanical or histological properties of the fully transected MCL after low-magnitude, high-frequency vibration treatment, significant enhancements in gene expression were observed in the intact Achilles tendon. These included collagen, several inflammatory cytokines, and growth factors critical for tendons. As low-magnitude, high-frequency vibration had no negative effects on ligament healing, vibration therapy may be a useful tool to accelerate healing of other tissues (bone) in multitrauma injuries without inhibiting ligament healing

  10. Cyclodextrin-complexation effects on the low-frequency vibrational dynamics of ibuprofen by combined inelastic light and neutron scattering experiments.

    PubMed

    Crupi, Vincenza; Fontana, Aldo; Giarola, Marco; Guella, Graziano; Majolino, Domenico; Mancini, Ines; Mariotto, Gino; Paciaroni, Alessandro; Rossi, Barbara; Venuti, Valentina

    2013-04-11

    The effect of the inclusion into cyclodextrins (CD) cavity on the low-frequency vibrational dynamics of the anti-inflammatory drug ibuprofen (IBP) is here investigated by using Raman and inelastic neutron scattering (INS) experiments. The differences observed in the frequency regime 0-100 cm(-1) between the vibrational modes of uncomplexed racemic and enantiomeric IBP are discussed on the basis of comparison with the quantum chemical computation results, taking into account the distinct symmetry properties of the molecules involved in the formation of the host-guest complex. Subsequently, the inspection of the same frequency range in the spectra of pure host methyl-β-CD and its IBP-inclusion complexes allows one to identify significant modifications in the vibrational dynamics of the guest molecule after their confinement into CD cavity. The experimental Raman and neutron spectra and the derived Raman coupling function C(R)(ω) show that the complexation process gives rise to a complete amorphization of the drug, as well as to a partial hindering, in the vibrational dynamics of complexes, of the modes between 50 and 150 cm(-1) attributed to CD molecule. The comparison between the Raman and neutron spectra of free and complexed IBP in the energy range of the Boson peak (BP) gives evidence that the dynamics related to this specific vibrational feature is sensitive to complexation phenomena.

  11. Centrifugal compressor modifications and their effect on high-frequency pipe wall vibration

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

    Motriuk, R.W.; Harvey, D.P.

    1998-08-01

    High-frequency pulsation generated by centrifugal compressors, with pressure wave-lengths much smaller than the attached pipe diameter, can cause fatigue failures of the compressor internals, impair compressor performance, and damage the attached compressor piping. There are numerous sources producing pulsation in centrifugal compressors. Some of them are discussed in literature at large (Japikse, 1995; Niese, 1976). NGTL has experienced extreme high-frequency discharge pulsation and pipe wall vibration on many of its radial inlet high-flow centrifugal gas compressor facilities. These pulsations led to several piping attachment failures and compressor internal component failures while the compressor operated within the design envelope. This papermore » considers several pulsation conditions at an NGTL compression facility which resulted in unacceptable piping vibration. Significant vibration attenuation was achieved by modifying the compressor (pulsation source) through removal of the diffuser vanes and partial removal of the inlet guide vanes (IGV). Direct comparison of the changes in vibration, pulsation, and performance are made for each of the modifications. The vibration problem, probable causes, options available to address the problem, and the results of implementation are reviewed. The effects of diffuser vane removal on discharge pipe wall vibration as well as changes in compressor performance are described.« less

  12. Research of hydroelectric generating set low-frequency vibration monitoring system based on optical fiber sensing

    NASA Astrophysics Data System (ADS)

    Min, Li; Zhang, Xiaolei; Zhang, Faxiang; Sun, Zhihui; Li, ShuJuan; Wang, Meng; Wang, Chang

    2017-10-01

    In order to satisfy hydroelectric generating set low-frequency vibration monitoring, the design of Passive low-frequency vibration monitoring system based on Optical fiber sensing in this paper. The hardware of the system adopts the passive optical fiber grating sensor and unbalanced-Michelson interferometer. The software system is used to programming by Labview software and finishing the control of system. The experiment show that this system has good performance on the standard vibration testing-platform and it meets system requirements. The frequency of the monitoring system can be as low as 0.2Hz and the resolution is 0.01Hz.

  13. Passive vibration isolation of reaction wheel disturbances using a low frequency flexible space platform

    NASA Astrophysics Data System (ADS)

    Kamesh, D.; Pandiyan, R.; Ghosal, Ashitava

    2012-03-01

    Reaction wheel assemblies (RWAs) are momentum exchange devices used in fine pointing control of spacecrafts. Even though the spinning rotor of the reaction wheel is precisely balanced to minimize emitted vibration due to static and dynamic imbalances, precision instrument payloads placed in the neighborhood can always be severely impacted by residual vibration forces emitted by reaction wheel assemblies. The reduction of the vibration level at sensitive payloads can be achieved by placing the RWA on appropriate mountings. A low frequency flexible space platform consisting of folded continuous beams has been designed to serve as a mount for isolating a disturbance source in precision payloads equipped spacecrafts. Analytical and experimental investigations have been carried out to test the usefulness of the low frequency flexible platform as a vibration isolator for RWAs. Measurements and tests have been conducted at varying wheel speeds, to quantify and characterize the amount of isolation obtained from the reaction wheel generated vibration. These tests are further extended to other variants of similar design in order to bring out the best isolation for given disturbance loads. Both time and frequency domain analysis of test data show that the flexible beam platform as a mount for reaction wheels is quite effective and can be used in spacecrafts for passive vibration control.

  14. Homogeneous and heterogeneous noncovalent dimers of formaldehyde and thioformaldehyde: structures, energetics, and vibrational frequencies.

    PubMed

    Van Dornshuld, Eric; Holy, Christina M; Tschumper, Gregory S

    2014-05-08

    This work provides the first characterization of five stationary points of the homogeneous thioformaldehyde dimer, (CH2S)2, and seven stationary points of the heterogeneous formaldehyde/thioformaldehyde dimer, CH2O/CH2S, with correlated ab initio electronic structure methods. Full geometry optimizations and corresponding harmonic vibrational frequencies were computed with second-order Møller-Plesset perturbation theory (MP2) and 13 different density functionals in conjunction with triple-ζ basis sets augmented with diffuse and multiple sets of polarization functions. The MP2 results indicate that the three stationary points of (CH2S)2 and four of CH2O/CH2S are minima, in contrast to two stationary points of the formaldehyde dimer, (CH2O)2. Single-point energies were also computed using the explicitly correlated MP2-F12 and CCSD(T)-F12 methods and basis sets as large as heavy-aug-cc-pVTZ. The (CH2O)2 and CH2O/CH2S MP2 and MP2-F12 binding energies deviated from the CCSD(T)-F12 binding energies by no more than 0.2 and 0.4 kcal mol(-1), respectively. The (CH2O)2 and CH2O/CH2S global minimum is the same at every level of theory. However, the MP2 methods overbind (CH2S)2 by as much as 1.1 kcal mol(-1), effectively altering the energetic ordering of the thioformaldehyde dimer minima relative to the CCSD(T)-F12 energies. The CCSD(T)-F12 binding energies of the (CH2O)2 and CH2O/CH2S stationary points are quite similar, with the former ranging from around -2.4 to -4.6 kcal mol(-1) and the latter from about -1.1 to -4.4 kcal mol(-1). Corresponding (CH2S)2 stationary points have appreciably smaller CCSD(T)-F12 binding energies ranging from ca. -1.1 to -3.4 kcal mol(-1). The vibrational frequency shifts upon dimerization are also reported for each minimum on the MP2 potential energy surfaces.

  15. Vibration-induced particle formation during yogurt fermentation-Effect of frequency and amplitude.

    PubMed

    Körzendörfer, Adrian; Temme, Philipp; Schlücker, Eberhard; Hinrichs, Jörg; Nöbel, Stefan

    2018-05-01

    Machinery such as pumps used for the commercial production of fermented milk products cause vibrations that can spread to the fermentation tanks. During fermentation, such vibrations can disturb the gelation of milk proteins by causing texture defects including lumpiness and syneresis. To study the effect of vibrations on yogurt structure systematically, an experimental setup was developed consisting of a vibration exciter to generate defined vibrational states and accelerometers for monitoring. During the fermentation of skim milk, vibrations (frequency sweep: 25 to 1,005 Hz) were introduced at different pH (5.7 to 5.1, step width 0.1 units) for 200 s. Physical properties of set gels (syneresis, firmness) and resultant stirred yogurts (visible particles, rheology, laser diffraction) were analyzed. Vibrational treatments at pH 5.5 to 5.2 increased syneresis, gel firmness, and the number of large particles (d > 0.9 mm); hence, this period was considered critical. The particle number increased from 34 ± 5 to 242 ± 16 particles per 100 g of yogurt due to vibrations at pH 5.4. In further experiments, yogurts were excited with fixed frequencies (30, 300, and 1,000 Hz). All treatments increased syneresis, firmness, and particle formation. As the strongest effect was observed by applying 30 Hz, the amplitude was set to vibration accelerations of a = 5, 10, 15, 20, and 25 m/s 2 in the final experiments. The number of large particles was increased due to each treatment and a positive correlation with the amplitude was found. We concluded that vibrations during gelation increase the collision probability of aggregating milk proteins, resulting in a compressed set gel with syneresis. Resultant stirred yogurts exhibit large particles with a compact structure leading to a reduced water-holding capacity and product viscosity. Copyright © 2018 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  16. Energy Expenditure and Substrate Oxidation in Response to Side-Alternating Whole Body Vibration across Three Commonly-Used Vibration Frequencies

    PubMed Central

    Fares, Elie-Jacques; Charrière, Nathalie; Montani, Jean-Pierre; Schutz, Yves; Dulloo, Abdul G.; Miles-Chan, Jennifer L.

    2016-01-01

    Background and Aim There is increasing recognition about the importance of enhancing energy expenditure (EE) for weight control through increases in low-intensity physical activities comparable with daily life (1.5–4 METS). Whole-body vibration (WBV) increases EE modestly and could present both a useful adjuvant for obesity management and tool for metabolic phenotyping. However, it is unclear whether a “dose-response” exists between commonly-used vibration frequencies (VF) and EE, nor if WBV influences respiratory quotient (RQ), and hence substrate oxidation. We aimed to investigate the EE-VF and RQ-VF relationships across three different frequencies (30, 40, and 50Hz). Methods EE and RQ were measured in 8 healthy young adults by indirect calorimetry at rest, and subsequently during side-alternating WBV at one of 3 VFs (30, 40, and 50 Hz). Each frequency was assessed over 5 cycles of intermittent WBV (30s vibration/30s rest), separated by 5 min seated rest. During the WBV participants stood on the platform with knees flexed sufficiently to maintain comfort, prevent transmission of vibration to the upper body, and minimise voluntary physical exertion. Repeatability was assessed across 3 separate days in a subset of 4 individuals. In order to assess any sequence/habituation effect, an additional group of 6 men underwent 5 cycles of intermittent WBV (30s vibration/30s rest) at 40 Hz, separated by 5 min seated rest. Results Side-alternating WBV increased EE relative to standing, non-vibration levels (+36%, p<0.001). However, no differences in EE were observed across VFs. Similarly, no effect of VF on RQ was found, nor did WBV alter RQ relative to standing without vibration. Conclusion No relationship could be demonstrated between EE and VF in the range of 30-50Hz, and substrate oxidation did not change in response to WBV. Furthermore, the thermogenic effect of intermittent WBV, whilst robust, was quantitatively small (<2 METS). PMID:26974147

  17. Energy Expenditure and Substrate Oxidation in Response to Side-Alternating Whole Body Vibration across Three Commonly-Used Vibration Frequencies.

    PubMed

    Fares, Elie-Jacques; Charrière, Nathalie; Montani, Jean-Pierre; Schutz, Yves; Dulloo, Abdul G; Miles-Chan, Jennifer L

    2016-01-01

    There is increasing recognition about the importance of enhancing energy expenditure (EE) for weight control through increases in low-intensity physical activities comparable with daily life (1.5-4 METS). Whole-body vibration (WBV) increases EE modestly and could present both a useful adjuvant for obesity management and tool for metabolic phenotyping. However, it is unclear whether a "dose-response" exists between commonly-used vibration frequencies (VF) and EE, nor if WBV influences respiratory quotient (RQ), and hence substrate oxidation. We aimed to investigate the EE-VF and RQ-VF relationships across three different frequencies (30, 40, and 50Hz). EE and RQ were measured in 8 healthy young adults by indirect calorimetry at rest, and subsequently during side-alternating WBV at one of 3 VFs (30, 40, and 50 Hz). Each frequency was assessed over 5 cycles of intermittent WBV (30s vibration/30s rest), separated by 5 min seated rest. During the WBV participants stood on the platform with knees flexed sufficiently to maintain comfort, prevent transmission of vibration to the upper body, and minimise voluntary physical exertion. Repeatability was assessed across 3 separate days in a subset of 4 individuals. In order to assess any sequence/habituation effect, an additional group of 6 men underwent 5 cycles of intermittent WBV (30s vibration/30s rest) at 40 Hz, separated by 5 min seated rest. Side-alternating WBV increased EE relative to standing, non-vibration levels (+36%, p<0.001). However, no differences in EE were observed across VFs. Similarly, no effect of VF on RQ was found, nor did WBV alter RQ relative to standing without vibration. No relationship could be demonstrated between EE and VF in the range of 30-50Hz, and substrate oxidation did not change in response to WBV. Furthermore, the thermogenic effect of intermittent WBV, whilst robust, was quantitatively small (<2 METS).

  18. Vibrational-vibrational coupling in air at low humidities

    NASA Technical Reports Server (NTRS)

    Zuckerwar, Allan J.; Miller, Keith W.

    1988-01-01

    Calculations of sound absorption in air are traditionally based on the assumption that molecular relaxations in N2 and O2 are independent. In binary mixtures of these two gases, however, they are not independent; rather, molecular relaxation is known to be controlled by a very strong vibrational-vibrational (V-V) coupling, which influences both the relaxation frequencies and the relaxation strengths. This article shows that small concentrations of the air constituents CO2 and H2O, which themselves possess a strong V-V coupling to N2 and O2, serve to decouple the N2 and O2 relaxations. To characterize the N2-O2 coupling a coupling strength is derived which depends upon the constituent concentrations and the related reaction rate constants. It is found that the molecular relaxations associated with N2 and O2 in air experience a gradual transition from strong to weak coupling as the humidity increases beyond approximately 0.001 mole percent.

  19. Vibrational and relaxational contributions in disaccharide/H2O glass formers

    NASA Astrophysics Data System (ADS)

    Branca, C.; Magazù, S.; Maisano, G.; Migliardo, F.

    2001-12-01

    Among oligosaccharides, trehalose seems to be unique in nature as a bioprotector in drying and freezing processes. To understand the molecular mechanisms underlying the unusual bioprotective properties of trehalose in comparison with other disaccharides, the low-frequency dynamics of aqueous (H2O and D2O) mixtures of homologous disaccharides, trehalose, and sucrose has been studied by neutron scattering measurements carried out using the Mibemol spectrometer at the Laboratoire Leon Brillouin (LLB, Saclay). The principal aim of this work is to compare the relaxational versus low-energy vibrational contributions of sucrose/H2O and trehalose/H2O mixtures across the glass transition, in order to characterize, following a procedure first proposed by Sokolov and co-workers, the different ``fragile'' character of both the disaccharide/H2O mixtures.

  20. Temperature dependence of the intensity of the vibration-rotational absorption band ν2 of H2O trapped in an argon matrix

    NASA Astrophysics Data System (ADS)

    Pitsevich, G.; Doroshenko, I.; Malevich, A..; Shalamberidze, E.; Sapeshko, V.; Pogorelov, V.; Pettersson, L. G. M.

    2017-02-01

    Using two sets of effective rotational constants for the ground (000) and the excited bending (010) vibrational states the calculation of frequencies and intensities of vibration-rotational transitions for J″ = 0 - 2; and J‧ = 0 - 3; was carried out in frame of the model of a rigid asymmetric top for temperatures from 0 to 40 K. The calculation of the intensities of vibration-rotational absorption bands of H2O in an Ar matrix was carried out both for thermodynamic equilibrium and for the case of non-equilibrium population of para- and ortho-states. For the analysis of possible interaction of vibration-rotational and translational motions of a water molecule in an Ar matrix by 3D Schrödinger equation solving using discrete variable representation (DVR) method, calculations of translational frequencies of H2O in a cage formed after one argon atom deleting were carried out. The results of theoretical calculations were compared to experimental data taken from literature.

  1. An extension of command shaping methods for controlling residual vibration using frequency sampling

    NASA Technical Reports Server (NTRS)

    Singer, Neil C.; Seering, Warren P.

    1992-01-01

    The authors present an extension to the impulse shaping technique for commanding machines to move with reduced residual vibration. The extension, called frequency sampling, is a method for generating constraints that are used to obtain shaping sequences which minimize residual vibration in systems such as robots whose resonant frequencies change during motion. The authors present a review of impulse shaping methods, a development of the proposed extension, and a comparison of results of tests conducted on a simple model of the space shuttle robot arm. Frequency shaping provides a method for minimizing the impulse sequence duration required to give the desired insensitivity.

  2. Frequency characteristics of human muscle and cortical responses evoked by noisy Achilles tendon vibration.

    PubMed

    Mildren, Robyn L; Peters, Ryan M; Hill, Aimee J; Blouin, Jean-Sébastien; Carpenter, Mark G; Inglis, J Timothy

    2017-05-01

    Noisy stimuli, along with linear systems analysis, have proven to be effective for mapping functional neural connections. We explored the use of noisy (10-115 Hz) Achilles tendon vibration to examine somatosensory reflexes in the triceps surae muscles in standing healthy young adults ( n = 8). We also examined the association between noisy vibration and electrical activity recorded over the sensorimotor cortex using electroencephalography. We applied 2 min of vibration and recorded ongoing muscle activity of the soleus and gastrocnemii using surface electromyography (EMG). Vibration amplitude was varied to characterize reflex scaling and to examine how different stimulus levels affected postural sway. Muscle activity from the soleus and gastrocnemii was significantly correlated with the tendon vibration across a broad frequency range (~10-80 Hz), with a peak located at ~40 Hz. Vibration-EMG coherence positively scaled with stimulus amplitude in all three muscles, with soleus displaying the strongest coupling and steepest scaling. EMG responses lagged the vibration by ~38 ms, a delay that paralleled observed response latencies to tendon taps. Vibration-evoked cortical oscillations were observed at frequencies ~40-70 Hz (peak ~54 Hz) in most subjects, a finding in line with previous reports of sensory-evoked γ-band oscillations. Further examination of the method revealed 1 ) accurate reflex estimates could be obtained with <60 s of low-level (root mean square = 10 m/s 2 ) vibration; 2 ) responses did not habituate over 2 min of exposure; and importantly, 3 ) noisy vibration had a minimal influence on standing balance. Our findings suggest noisy tendon vibration is an effective novel approach to characterize somatosensory reflexes during standing. NEW & NOTEWORTHY We applied noisy (10-115 Hz) vibration to the Achilles tendon to examine the frequency characteristics of lower limb somatosensory reflexes during standing. Ongoing muscle activity was coherent with the

  3. The vibrational Jahn-Teller effect in E⊗e systems

    NASA Astrophysics Data System (ADS)

    Thapaliya, Bishnu P.; Dawadi, Mahesh B.; Ziegler, Christopher; Perry, David S.

    2015-10-01

    The Jahn-Teller theorem is applied in the vibrational context where degenerate high-frequency vibrational states (E) are considered as adiabatic functions of low-frequency vibrational coordinates (e). For CH3CN and Cr(C6H6)(CO)3, the global minimum of the non-degenerate electronic potential energy surface occurs at the C3v geometry, but in CH3OH, the equilibrium geometry is far from the C3v reference geometry. In the former cases, the computed spontaneous Jahn-Teller distortion is exceptionally small. In methanol, the vibrational Jahn-Teller interaction results in the splitting of the degenerate E-type CH stretch into what have been traditionally assigned as the distinct ν2 and ν9 vibrational bands. The ab initio vibrational frequencies are fit precisely by a two-state high-order Jahn-Teller Hamiltonian (Viel and Eisfeld, 2004). The presence of vibrational conical intersections, including 7 for CH3OH, has implications for spectroscopy, for geometric phase, and for ultrafast localized non-adiabatic energy transfer.

  4. C-5A Cargo Deck Low-Frequency Vibration Environment

    DTIC Science & Technology

    1975-02-01

    SAMPLE VIBRATION CALCULATIONS 13 1. Normal Distribution 13 2. Binomial Distribution 15 IV CONCLUSIONS 17 -! V REFERENCES 18 t: FEiCENDIJJ PAGS 2LANKNOT...Calculation for Binomial Distribution 108 (Vertical Acceleration, Right Rear Cargo Deck) xi I. INTRODUCTION The availability of large transport...the end of taxi. These peaks could then be used directly to compile the probability of occurrence of specific values of acceleration using the binomial

  5. Wideband, low-frequency springless vibration energy harvesters: part I

    NASA Astrophysics Data System (ADS)

    Bendame, Mohamed; Abdel-Rahman, Eihab; Soliman, Mostafa

    2016-11-01

    We present a novel architecture for wideband and low-frequency vibration energy harvesting (VEH). Springless vibration energy harvesters (SVEH) employ impact oscillators as energy harvesting elements. A seismic mass moves along a linear guide limited by stoppers at both ends of the track. An electromagnetic transducer converts the kinetic energy captured by the mass into electrical energy. Experiments using prototypes of the horizontal SVEH demonstrated low frequency harvesting (<20 Hz), wideband harvesting (up to 6.0 Hz), and an optimal rectified output power of P  =  12 mW for a base acceleration amplitude of 0.5 g. A model of the electromagnetic SVEH was developed and validated experimentally. A figure of merit was defined to quantify realizable output power in linear and nonlinear VEHs. Comparison using this figure of merit shows that electromagnetic SVEHs outperform their linear counterparts by 92%-232% for acceleration amplitudes in the range of 0.4-0.6 g.

  6. Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Martin, Jan M. L.; Taylor, Peter R.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  7. Numerical solutions of anharmonic vibration of BaO and SrO molecules

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

    Pramudito, Sidikrubadi; Sanjaya, Nugraha Wanda; Sumaryada, Tony, E-mail: tsumaryada@ipb.ac.id

    2016-03-11

    The Morse potential is a potential model that is used to describe the anharmonic behavior of molecular vibration between atoms. The BaO and SrO molecules, which are two almost similar diatomic molecules, were investigated in this research. Some of their properties like the value of the dissociation energy, the energy eigenvalues of each energy level, and the profile of the wavefunctions in their correspondence vibrational states were presented in this paper. Calculation of the energy eigenvalues and plotting the wave function’s profiles were performed using Numerov method combined with the shooting method. In general we concluded that the Morse potentialmore » solved with numerical methods could accurately produce the vibrational properties and the wavefunction behavior of BaO and SrO molecules from the ground state to the higher states close to the dissociation level.« less

  8. Low-frequency absorption of sound in air

    NASA Technical Reports Server (NTRS)

    Zuckerwar, A. J.; Meredith, R. W.

    1985-01-01

    Thirty sets of sound absorption measurements in air at a pressure of 1 atmosphere are presented at temperatures from 10 C to 50 C, relative humidities from 0 to 100 percent, and frequencies from 10 to 2500 Hz. The measurements were conducted by the method of free decay in a resonant tube having a length of 18.261 m and bore diameter of 0.152 m. Background measurements in a gas consisting of 89.5 percent N2 and 10.5 percent Ar, a mixture which has the same sound velocity as air, permitted the wall and structural losses of the tube to be separated from the constituent absorption, consisting of classical rotational and vibrational absorption, in the air samples. The data were used to evaluate the vibrational relaxation frequencies of N2 and/or O2 for each of the 30 sets of meteorological parameters. Over the full range of humidity, the measured relaxation frequencies of N2 in air lie between those specified by ANSI Standard S1.26-1978 and those measured earlier in binary N2H2O mixtures. The measured relaxation frequencies could be determined only at very low values of humidity, reveal a significant trend away from the ANSI standard, in agreement with a prior investigation.

  9. Low-frequency sound absorption measurements in air

    NASA Technical Reports Server (NTRS)

    Zuckerwar, A. J.; Meredith, R. W.

    1984-01-01

    Thirty sets of sound absorption measurements in air at a pressure of 1 atmosphere are presented at temperatures from 10 C to 50 C, relative humidities from 0 to 100 percent, and frequencies from 10 to 2500 Hz. The measurements were conducted by the method of free decay in a resonant tube having a length of 18.261 m and bore diameter of 0.152 m. Background measurements in a gas consisting of 89.5 percent N2 and 10.5 percent Ar, a mixture which has the same sound velocity as air, permitted the wall and structural losses of the tube to be separated from the constituent absorption, consisting of classical rotational and vibrational absorption, in the air samples. The data were used to evaluate the vibrational relaxation frequencies of N2 and/or O2 for each of the 30 sets of meteorological parameters. Over the full range of humidity, the measured relaxation frequencies of N2 in air lie between those specified by ANSI Standard S1.26-1978 and those measured earlier in binary N2H2O mixtures. The measured relaxation frequencies could be determined only at very low values of humidity, reveal a significant trend away from the ANSI standard, in agreement with a prior investigation.

  10. Local vibrational modes of the formic acid dimer - the strength of the double hydrogen bond

    NASA Astrophysics Data System (ADS)

    Kalescky, R.; Kraka, E.; Cremer, D.

    2013-07-01

    The 24 normal and 24 local vibrational modes of the formic acid dimer formed by two trans formic acid monomers to a ring (TT1) are analysed utilising preferentially experimental frequencies, but also CCSD(T)/CBS and ωB97X-D harmonic vibrational frequencies. The local hydrogen bond (HB) stretching frequencies are at 676 cm-1 and by this 482 and 412 cm-1 higher compared to the measured symmetric and asymmetric HB stretching frequencies at 264 and 194 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to the topology of dimer TT1, mass coupling, and avoided crossings involving the HṡṡṡOC bending modes. The HB local mode stretching force constant is related to the strength of the HB whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the HB strength. The HB in TT1 is stabilised by electron delocalisation in the O=C-O units fostered by forming a ring via double HBs. This implies that the CO apart from the OH local stretching frequencies reflect the strength of the HB via their red or blue shifts relative to their corresponding values in trans formic acid.

  11. Surface sum-frequency vibrational spectroscopy of nonpolar media

    DOE PAGES

    Sun, Shumei; Tian, Chuanshan; Shen, Y. Ron

    2015-04-27

    Sum-frequency generation spectroscopy is surface specific only if the bulk contribution to the signal is negligible. Negligible bulk contribution is, however, not necessarily true, even for media with inversion symmetry. The inevitable challenge is to find the surface spectrum in the presence of bulk contribution, part of which has been believed to be inseparable from the surface contribution. Here, we show that, for nonpolar media, it is possible to separately deduce surface and bulk spectra from combined phase-sensitive sum-frequency vibrational spectroscopic measurements in reflection and transmission. Finally, the study of benzene interfaces is presented as an example.

  12. Characteristics of coated copper wire specimens using high frequency ultrasonic complex vibration welding equipments.

    PubMed

    Tsujino, J; Ihara, S; Harada, Y; Kasahara, K; Sakamaki, N

    2004-04-01

    Welding characteristic of thin coated copper wires were studied using 40, 60, 100 kHz ultrasonic complex vibration welding equipments with elliptical to circular vibration locus. The complex vibration systems consisted of a longitudinal-torsional vibration converter and a driving longitudinal vibration system. Polyurethane coated copper wires of 0.036 mm outer diameter and copper plates of 0.3 mm thickness and the other dimension wires were used as welding specimens. The copper wire part is completely welded on the copper substrate and the insulated coating material is driven from welded area to outsides of the wire specimens by high frequency complex vibration.

  13. Dynamics of liquid films exposed to high-frequency surface vibration

    NASA Astrophysics Data System (ADS)

    Manor, Ofer; Rezk, Amgad R.; Friend, James R.; Yeo, Leslie Y.

    2015-05-01

    We derive a generalized equation that governs the spreading of liquid films under high-frequency (MHz-order) substrate vibration in the form of propagating surface waves and show that this single relationship is universally sufficient to collectively describe the rich and diverse dynamic phenomena recently observed for the transport of oil films under such substrate excitation, in particular, Rayleigh surface acoustic waves. In contrast to low-frequency (Hz- to kHz-order) vibration-induced wetting phenomena, film spreading at such high frequencies arises from convective drift generated by the viscous periodic flow localized in a region characterized by the viscous penetration depth β-1≡(2μ /ρ ω ) 1 /2 adjacent to the substrate that is invoked directly by its vibration; μ and ρ are the viscosity and the density of the liquid, respectively, and ω is the excitation frequency. This convective drift is responsible for driving the spreading of thin films of thickness h ≪kl-1 , which spread self-similarly as t1 /4 along the direction of the drift corresponding to the propagation direction of the surface wave, kl being the wave number of the compressional acoustic wave that forms in the liquid due to leakage of the surface wave energy from the substrate into the liquid and t the time. Films of greater thicknesses h ˜kl-1≫β-1 , in contrast, are observed to spread with constant velocity but in a direction that opposes the drift and surface wave propagation due to the attenuation of the acoustic wave in the liquid. The universal equation derived allows for the collective prediction of the spreading of these thin and thick films in opposing directions.

  14. First-Principles Studies of Pentaerythritol Tetranitrate (PETN) Single Crystal Unit Cell Volumes and Vibrational Frequencies under Hydrostatic Pressure

    NASA Astrophysics Data System (ADS)

    Perger, Warren F.; Zhao, Jijun; Winey, J. M.; Gupta, Y. M.

    2006-07-01

    The vibrational frequencies of the PETN molecular crystal were calculated using the first-principles CRYSTAL03 program which employs an all-electron LCAO approach and calculates analytic first derivatives of the total energy with respect to atomic displacements. Numerical second derivatives were used to enable calculation of the vibrational frequencies at ambient pressure and under various states of compression. Three different density functionals, B3LYP, PW91, and X3LYP were used to examine the effect of the exchange-correlation functional on the vibrational frequencies. The average deviation with experimental results is shown to be on the order of 2-3%, depending on the functional used. The pressure-induced shift of the vibrational frequencies is presented.

  15. Specific coupling between the 13-keto carbonyl and chlorin skeletal vibrational modes of synthetic 13 1- 18O-(un)labelled metallochlorophyll derivatives

    NASA Astrophysics Data System (ADS)

    Morishita, Hidetada; Tamiaki, Hitoshi

    2009-03-01

    Metal complexes of methyl 13 1- 18O-labelled pyropheophorbide- a1-M- 18O (M = Zn, Cu and Ni) were prepared by metallation of the 18O-labelled free base ( 1- 18O) and 18O-labelling of unlabelled nickel complex ( 1-Ni). The FT-IR spectra of 1-Zn and 1-Zn- 18O in CH 2Cl 2 showed that the 13-keto carbonyl stretching vibration mode moved to about a 30-cm -1 lower wavenumber by 18O-labelling of the 13 1-oxo moiety. In 1-Cu- 18O and 1-Ni- 18O, the 13-C dbnd 18O stretching modes were close to the highest-energy wavenumber mode of chlorin skeletal C-C/C-N vibrations at around 1650 cm -1 and they were coupled in CH 2Cl 2 to give two split IR bands (Fermi resonance). A similar coupling was observed in the resonance Raman scattering of 1-Ni- 18O in the solid state. The hydrogen-bonded 13-C dbnd 16O vibration mode of 1-Ni similarly coupled with the skeletal C-C/C-N mode in CCl 4 containing 1% (v/v) 1,1,1,3,3,3-hexafluoro-2-propanol, while such a coupling was not observed in a neat CCl 4 solution of 1-Ni possessing the 13-C dbnd 16O free from any interaction. The skeletal C-C/C-N band selectively coupled with the 13-C dbnd O, not with the 3-C dbnd O, when the difference in their peak maxima was less than 20 cm -1.

  16. Infrared spectra of the CO2- and C2O4- anions isolated in solid argon

    NASA Astrophysics Data System (ADS)

    Zhou, Mingfei; Andrews, Lester

    1999-02-01

    Laser ablation of transition metal targets with concurrent 11 to 12 K condensation of CO2-Ar mixtures produces a sharp metal independent infrared absorption at 1657.0 cm-1 due to CO2-, which is formed from the capture of ablated electrons by CO2 molecules during the condensation process. Two additional metal independent absorptions are produced at 1856.7 and 1184.7 cm-1 on matrix annealing to 25 K to allow diffusion and reaction of CO2 and CO2-. Isotopic substitution (13CO2, C18O2, C16,18O2, and mixtures) shows that these two vibrations involve two equivalent CO2 subunits. The excellent agreement with frequencies, intensities, and isotopic frequency ratios from density-functional calculations supports assignment to the symmetrical C2O4- anion with D2d symmetry. Photodissociation (470-580 nm) and failure to observe these absorptions in identical experiments doped with the electron trapping molecule CCl4 further support the molecular anion assignments. Although absorptions were observed for weak (CO2)(CO2-) complexes, no evidence was found for the asymmetric O2CṡOCO- molecule-anion complex characterized by calculations.

  17. Optical and vibrational properties of (ZnO){sub k} In{sub 2}O{sub 3} natural superlattice nanostructures

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

    Margueron, Samuel; John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Maryland 02138; Pokorny, Jan

    2016-05-21

    A thermodynamically stable series of superlattices, (ZnO){sub k}In{sub 2}O{sub 3}, form in the ZnO-In{sub 2}O{sub 3} binary oxide system for InO{sub 1.5} concentrations from about 13 up to about 33 mole percent (m/o). These natural superlattices, which consist of a periodic stacking of single, two-dimensional sheets of InO{sub 6} octahedra, are found to give rise to systematic changes in the optical and vibrational properties of the superlattices. Low-frequency Raman scattering provides the evidence for the activation of acoustic phonons due to the folding of Brillouin zone. New vibrational modes at 520 and 620 cm{sup −1}, not present in either ZnO ormore » In{sub 2}O{sub 3}, become Raman active. These new modes are attributed to collective plasmon oscillations localized at the two-dimensional InO{sub 1.5} sheets. Infrared reflectivity experiments, and simulations taking into account a negative dielectric susceptibility due to electron carriers in ZnO and interface modes of the dielectric layer of InO{sub 2}, explain the occurrence of these new modes. We postulate that a localized electron gas forms at the ZnO/InO{sub 2} interface due to the electron band alignment and polarization effects. All our observations suggest that there are quantum contributions to the thermal and electrical conductivity in these natural superlattices.« less

  18. Gel performance in rheology and profile control under low-frequency vibration: coupling application of physical and chemical EOR techniques.

    PubMed

    Zheng, Li Ming; Pu, Chun Sheng; Liu, Jing; Ma, Bo; Khan, Nasir

    2017-01-01

    Flowing gel plugging and low-frequency vibration oil extraction technology have been widely applied in low-permeability formation. High probability of overlapping in action spheres of two technologies might lead to poor operating efficiency during gel injection. Study on flowing gel rheological properties under low-frequency vibration was essential, which was carried out indoor with viscosity measurement. Potential dynamic mechanisms were analyzed for the rheological variation. Under low-frequency vibration, gel rheological properties were found to be obviously influenced, with vibration delaying gel cross-linking in induction period, causing a two-stage gel viscosity change in acceleration period, and decreasing gel strength in stable period. Surface of gel system under vibration presented different fluctuating phenomenon from initial harmonic vibrating to heterogeneous fluctuating (droplet separation might appear) to final harmonic vibrating again. Dynamic displacement in unconsolidated sand pack revealed that low-frequency vibration during gel injection might be a measure to achieve deep profile control, with the gel injection depth increased by 65.8 % compared with the vibration-free sample. At last, suggestions for field test were given in the paper to achieve lower injection friction and better gel plugging efficiency.

  19. Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of O-methoxybenzaldehyde based on DFT calculations

    NASA Astrophysics Data System (ADS)

    Vennila, P.; Govindaraju, M.; Venkatesh, G.; Kamal, C.

    2016-05-01

    Fourier transform - Infra red (FT-IR) and Fourier transform - Raman (FT-Raman) spectroscopic techniques have been carried out to analyze O-methoxy benzaldehyde (OMB) molecule. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT). The vibrational analysis of stable isomer of OMB has been carried out by FT-IR and FT-Raman in combination with theoretical method simultaneously. The first-order hyperpolarizability and the anisotropy polarizability invariant were computed by DFT method. The atomic charges, hardness, softness, ionization potential, electronegativity, HOMO-LUMO energies, and electrophilicity index have been calculated. The 13C and 1H Nuclear magnetic resonance (NMR) have also been obtained by GIAO method. Molecular electronic potential (MEP) has been calculated by the DFT calculation method. Electronic excitation energies, oscillator strength and excited states characteristics were computed by the closed-shell singlet calculation method.

  20. Force Limited Vibration Testing: Computation C2 for Real Load and Probabilistic Source

    NASA Astrophysics Data System (ADS)

    Wijker, J. J.; de Boer, A.; Ellenbroek, M. H. M.

    2014-06-01

    To prevent over-testing of the test-item during random vibration testing Scharton proposed and discussed the force limited random vibration testing (FLVT) in a number of publications, in which the factor C2 is besides the random vibration specification, the total mass and the turnover frequency of the load(test item), a very important parameter. A number of computational methods to estimate C2 are described in the literature, i.e. the simple and the complex two degrees of freedom system, STDFS and CTDFS, respectively. Both the STDFS and the CTDFS describe in a very reduced (simplified) manner the load and the source (adjacent structure to test item transferring the excitation forces, i.e. spacecraft supporting an instrument).The motivation of this work is to establish a method for the computation of a realistic value of C2 to perform a representative random vibration test based on force limitation, when the adjacent structure (source) description is more or less unknown. Marchand formulated a conservative estimation of C2 based on maximum modal effective mass and damping of the test item (load) , when no description of the supporting structure (source) is available [13].Marchand discussed the formal description of getting C 2 , using the maximum PSD of the acceleration and maximum PSD of the force, both at the interface between load and source, in combination with the apparent mass and total mass of the the load. This method is very convenient to compute the factor C 2 . However, finite element models are needed to compute the spectra of the PSD of both the acceleration and force at the interface between load and source.Stevens presented the coupled systems modal approach (CSMA), where simplified asparagus patch models (parallel-oscillator representation) of load and source are connected, consisting of modal effective masses and the spring stiffnesses associated with the natural frequencies. When the random acceleration vibration specification is given the CMSA

  1. Terahertz laser spectroscopy of the water dimer intermolecular vibrations. I. (D{sub 2}O){sub 2}

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

    Braly, L. B.; Cruzan, J. D.; Liu, K.

    Terahertz laser VRT spectra of the water dimer consisting of 731 transitions measured with an average precision of 2 MHz and involving four (D{sub 2}O){sub 2} intermolecular vibrations (one previously published) have been measured between 65 and 104 cm{sup -1}. The precisely determined energy level patterns differ both qualitatively and quantitatively from the predictions of several dimer potentials tested, and reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by standard normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as among different vibrations. Particularly, themore » 83 cm{sup -1} (acceptor wag) and 90 cm{sup -1} (D{sub 2}O){sub 2} (acceptor twist) vibrations interact through a Coriolis perturbation. These spectra provide the basis for our recent determination of the water pair potential. The corresponding data set for (H{sub 2}O){sub 2} is presented in an accompanying paper. (c) 2000 American Institute of Physics.« less

  2. Short-time vibrational dynamics of metaphosphate glasses

    NASA Astrophysics Data System (ADS)

    Kalampounias, Angelos G.

    2012-02-01

    In this paper we present the picosecond vibrational dynamics of a series of binary metaphosphate glasses, namely Na2O-P2O5, MO-P2O5 (M=Ba, Sr, Ca, Mg) and Al2O3-3P2O5 by means of Raman spectroscopy. We studied the vibrational dephasing and vibrational frequency modulation by calculating time correlation functions of vibrational relaxation by fits in the frequency domain. The fitting method used enables one to model the real line profiles intermediate between Lorentzian and Gaussian by an analytical function, which has an analytical counterpart in the time domain. The symmetric stretching modes νs(PO2-) and νs(P-O-P) of the PO2- entity of PØ2O2- units and of P-O-P bridges in metaphosphate arrangements have been investigated by Raman spectroscopy and we used them as probes of the dynamics of these glasses. The vibrational time correlation functions of both modes studied are rather adequately interpreted within the assumption of exponential modulation function in the context of Kubo-Rothschield theory and indicate that the system experiences an intermediate dynamical regime that gets only slower with an increase in the ionic radius of the cation-modifier. We found that the vibrational correlation functions of all glasses studied comply with the Rothschild approach assuming that the environmental modulation is described by a stretched exponential decay. The evolution of the dispersion parameter α with increasing ionic radius of the cation indicates the deviation from the model simple liquid indicating the reduction of the coherence decay in the perturbation potential as a result of local short lived aggregates. The results are discussed in the framework of the current phenomenological status of the field.

  3. 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

  4. Vibrational collapse of boroxol rings in compacted B2O3 glasses: a study of Raman scattering and low temperature specific heat

    NASA Astrophysics Data System (ADS)

    Carini, Giovanni, Jr.; Carini, Giuseppe; D’Angelo, Giovanna; Federico, Mauro; Romano, Valentino

    2018-05-01

    Low and high frequency Raman scattering of B2O3 glasses, compacted under GPa pressures, has been performed to investigate structural changes due to increasing atomic packing. Compacted glasses, annealed at ambient temperature and pressure, experience a time-dependent decrease of the density to a smaller constant value over a period of few months, displaying a permanent plastic deformation. Increasing densification determines a parallel and progressive decrease of the intensity of the Boson peak and the main band at 808 cm‑1, both these modes arising from localized vibrations involving planar boroxol rings (B3O6), the glassy units formed from three basic BO3 triangles. The 808 cm‑1 mode preserves its frequency, while the BP evidences a well-defined frequency increase. The high-frequency multicomponent band between 1200 and 1600 cm‑1 also changes with increasing densification, disclosing a decreasing intensity of the 1260 cm‑1 mode due to oxygen vibrations of BO3 units bridging boroxol rings. This indicates the gradual vibrational collapse of groups formed from rings connected by more complex links than a single bridging oxygen. The observed behaviours suggest that glass compaction causes severe deformation of boroxol rings, determining a decrease of groups which preserve unaltered their vibrational activity. Growing glass densification stiffens the network and leads to a decrease of the excess heat capacity over the Debye prediction below 20 K, which is not accounted for by the hardening of the elastic continuum. By using the low-frequency Raman scattering to determine the temperature dependence of the heat capacity, it has been evaluated the density of low-frequency vibrational states which discloses a significant reduction of excess modes with increasing density.

  5. Anharmonic frequencies of CX2Y2 (X, Y = O, N, F, H, D) isomers and related systems obtained from vibrational multiconfiguration self-consistent field theory.

    PubMed

    Pfeiffer, Florian; Rauhut, Guntram

    2011-10-13

    Accurate anharmonic frequencies are provided for molecules of current research, i.e., diazirines, diazomethane, the corresponding fluorinated and deuterated compounds, their dioxygen analogs, and others. Vibrational-state energies were obtained from state-specific vibrational multiconfiguration self-consistent field theory (VMCSCF) based on multilevel potential energy surfaces (PES) generated from explicitly correlated coupled cluster, CCSD(T)-F12a, and double-hybrid density functional calculations, B2PLYP. To accelerate the vibrational structure calculations, a configuration selection scheme as well as a polynomial representation of the PES have been exploited. Because experimental data are scarce for these systems, many calculated frequencies of this study are predictions and may guide experiments to come.

  6. Excited vibrational level rotational constants for SiC2: A sensitive molecular diagnostic for astrophysical conditions

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan C.; Lee, Timothy J.; Müller, Holger S. P.

    2015-11-01

    Silacyclopropynylidene, SiC2, is a known and highly abundant circumstellar molecule. Its spectrum has been established as a major component of lines observed toward the carbon-rich star IRC +10216 (CW Leonis). It has been detected in its low-lying v3 = 1 and 2 vibrational states as well as in various isotopic compositions. Increasing sensitivity and spatial resolution will enable many more emission or absorption lines to be detected. In order to detect new molecular species, unassigned lines of known species must be identified. This work uses established ab initio quartic force fields to produce data necessary for this classification of lines related to SiC2. Agreement between the theoretical vibrational frequencies and known rotational and spectroscopic constants is quite good, as good as 5 cm-1 and 3 MHz, respectively in some cases. In addition, experimentally unknown vibrational frequencies and rotational constants are provided for the first overtones and combination bands in addition to 3ν3, the second overtone of the low-lying antisymmetric stretch/carbide rotation mode. Frequencies of v3 = 3 low-J rotational transitions of the main isotopic species are also estimated from published data for v3 ≤ 2. Further, we determine rotational and centrifugal distortion parameters for which in most cases vibrational effects due to the ν3 mode were reduced to first, and in several cases also to second order. These values may approximate equilibrium values better than the ground state values. The data produced herein will aid in the experimental and observational characterization of this known astromolecule in order to identify some of the unassigned lines for a known entity.

  7. Analysis of vibration frequencies of uranyl ion in complexes with neutral bases (in Russian)

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

    Kobets, L.V.; Umreiko, D.S.

    1986-12-01

    It has been shown that any estimate of the changes in vibration frequencies of UO/sub 2//sup 2 +/ applies only to the series of isostructural compounds with similar stoichiometry. Either the same values of stretching vibration frequencies of uranyl correspond to complexes with ligands that have different donor abilities, or changes in these frequencies are not great and do not reflect the real increase in the donor ability of the bases with respect to proton-containing acceptors. When the acido ligands are replaced or the stoichiometry of the complexes is changed, no correlations can be carried out, since, besides the basicitiesmore » of donors, other parameters such as the dentateness of the ligand, and hence the symmetry and the structure of the compound, are also varied. In this paper, the authors evaluate the contributions of the ligands to the shift of the vibration frequencies of uranyl that have been made and do not take into account the characteristic features of the compounds which therefore led to very different values of the contributions for one and the same ligand in different compounds. To evaluate the shifts produced by the ligands, the value of 1065 cm/sup -1/ was taken as the vibration frequency of a hypothetical fee uranyl ion, not perturbed by bonds with equatorial ligands. The authors also evaluate the contributions of ions able to form polymer structures.« less

  8. 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.

  9. Vibrational spectra and structure of benzil and its 18O- and d 10-labelled derivatives: a quantum chemical and experimental study

    NASA Astrophysics Data System (ADS)

    Kolev, Tsonko M.; Stamboliyska, Bistra A.

    2002-12-01

    Geometry and vibrational spectroscopic data of benzil-d 0 benzil-d 10 and benzil- 18O calculated at various levels of theory (RHF/6-31G*, B3LYP/6-31G*, BLYP/6-31G*) are reported. The theoretical results are discussed mainly in terms of the comparisons with infrared (4000-100 cm -1) and Raman (4000-50 cm -1) spectral data. The calculated isotopic frequency shifts, induced by the 18O- and d 10-labeling, are in a good agreement with the measured values. A complete vibrational assignment was made with the help of ab initio force field calculations. The data thus obtained were used for reassigning some vibrational frequencies. The results of the optimized molecular structure obtained on the basis of RHF and the DFT calculations are presented and compared with the experimental X-ray diffraction for the benzil-d 0 single crystal. It turns out that the best structural parameters are predicted by the B3LYP/6-31G* method.

  10. Vibrational spectra and structure of benzil and its 18O- and d10-labelled derivatives: a quantum chemical and experimental study.

    PubMed

    Kolev, Tsonko M; Stamboliyska, Bistra A

    2002-12-01

    Geometry and vibrational spectroscopic data of benzil-d0 benzil-d10 and benzil-18O calculated at various levels of theory (RHF/6-31G*, B3LYP/6-31G*, BLYP/6-31G*) are reported. The theoretical results are discussed mainly in terms of the comparisons with infrared (4000-100 cm(-1)) and Raman (4000-50 cm(-1)) spectral data. The calculated isotopic frequency shifts, induced by the 18O- and d10-labeling, are in a good agreement with the measured values. A complete vibrational assignment was made with the help of ab initio force field calculations. The data thus obtained were used for reassigning some vibrational frequencies. The results of the optimized molecular structure obtained on the basis of RHF and the DFT calculations are presented and compared with the experimental X-ray diffraction for the benzil-d0 single crystal. It turns out that the best structural parameters are predicted by the B3LYP/6-31G* method.

  11. The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

    NASA Technical Reports Server (NTRS)

    Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

    2012-01-01

    The A 1B1 <-1A0 excitation into the dipole-bound state of the cyanomethyl anion (CH2CN??) has been hypothesized as the carrier for one di use interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force elds and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for X 1A0 CH2CN?? in order to assist in laboratory studies and astronomical observations. Keywords: Astrochemistry, ISM: molecular anions, Quartic force elds, Rotational constants, Vibrational frequencies

  12. Frequency-varying synchronous micro-vibration suppression for a MSFW with application of small-gain theorem

    NASA Astrophysics Data System (ADS)

    Peng, Cong; Fan, Yahong; Huang, Ziyuan; Han, Bangcheng; Fang, Jiancheng

    2017-01-01

    This paper presents a novel synchronous micro-vibration suppression method on the basis of the small gain theorem to reduce the frequency-varying synchronous micro-vibration forces for a magnetically suspended flywheel (MSFW). The proposed synchronous micro-vibration suppression method not only eliminates the synchronous current fluctuations to force the rotor spinning around the inertia axis, but also considers the compensation caused by the displacement stiffness in the permanent-magnet (PM)-biased magnetic bearings. Moreover, the stability of the proposed control system is exactly analyzed by using small gain theorem. The effectiveness of the proposed micro-vibration suppression method is demonstrated via the direct measurement of the disturbance forces for a MSFW. The main merit of the proposed method is that it provides a simple and practical method in suppressing the frequency varying micro-vibration forces and preserving the nominal performance of the baseline control system.

  13. High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

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

    Bratlie, Kaitlin

    Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10 -6 Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C 6H 11) and π-allyl Cmore » 6H 9, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, π-allyl C 6H 9, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, π-allyl c-C 6H 9 was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found to exhibit a compensation effect and was analyzed using the selective energy transfer (SET) model. The SET model suggests that the Pt-H system donates energy to the E 2u mode of free benzene, which leads to catalysis. Linear C 6 (n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene) hydrocarbons were also investigated in the presence and absence of excess hydrogen on Pt(100). Based on spectroscopic signatures, mechanisms for catalytic isomerization and

  14. Origin of the OH vibrational blue shift in the LiOH crystal.

    PubMed

    Hermansson, Kersti; Gajewski, Grzegorz; Mitev, Pavlin D

    2008-12-25

    The O-H vibrational frequency in crystalline hydroxides is either upshifted or downshifted by its crystalline surroundings. In the LiOH crystal, the experimental gas-to-solid O-H frequency upshift ("blue shift") is approximately +115 cm(-1). Here plane-wave DFT calculations for the isotope-isolated LiOH crystal have been performed and we discuss the origin of the OH frequency upshift, and the nature of the OH group and the interlayer interactions. We find that (1) the vibrational frequency upshift originates from interactions within the LiOH layer; this OH upshift is slightly lessened by the interlayer interactions; (2) the interlayer O-H - - - H-O interaction is largely electrostatic in character (but there is no hydrogen bonding); (3) the gas-to-solid vibrational shift for OH in LiOH(s) and its subsystems qualitatively adheres to a parabola-like "frequency vs electric field strength" correlation curve, which has a maximum for a positive electric field, akin to the correlation curve earlier found in the literature for an isolated OH(-) ion in an electric field.

  15. Investigation of the performances of PZT vs rare earth (BaLaTiO3) vibration based energy harvester

    NASA Astrophysics Data System (ADS)

    Pak, Nehemiah; Aris, Hasnizah; Nadia Taib, Bibi

    2017-11-01

    This study proposes the investigation of two piezoelectric material namely PZT and Lanthanum Doped Barium Titanate (BaLaTiO3) performance as a vibration based energy harvester. The piezoelectric material when applied mechanical stress or strain produces electricity through the piezoelectric effect. The vibration energy would exude mechanical energy and thus apply mechanical force on the energy harvester. The energy harvester would be designed and simulated using the piezoelectric material individually. The studied outputs are divided to frequency response, the load dependence, and the acceleration dependence whereby measurement are observed and taken at maximum power output. The simulation is done using the cantilevers design which employs d31 type of constants. Three different simulations to study the dependence of output power on the resonant frequency response, load and acceleration have found that material that exhibit highest power generation was the BaLaTiO3.

  16. Low-frequency vibration isolation in sandwich plates by piezoelectric shunting arrays

    NASA Astrophysics Data System (ADS)

    Chen, Shengbing; Wang, Gang; Song, Yubao

    2016-12-01

    Piezoelectric shunting arrays are proposed to isolate low-frequency vibrations transmitted in sandwich plates. The performance is characterized through application of finite element method. The numerical result shows that a complete band gap, whose width is about 20 Hz, is produced in the desired low-frequency ranges. The band gap is induced by local resonances of the shunting circuits, whose location is strongly related to the inductance, while the resistance can broaden the band gap to some extent. Vibration experiments are conducted on a 1200 × 1000 × 15 mm aluminum honeycomb plate with two arrays of 5 × 5 shunted piezoelectric patches bonded on the surface panels. Significant attenuation is found in the experimental results, which agree well with the theoretical predictions. Consequently, the proposed idea is feasible and effective.

  17. Nonlinear laser dynamics induced by frequency shifted optical feedback: application to vibration measurements.

    PubMed

    Girardeau, Vadim; Goloni, Carolina; Jacquin, Olivier; Hugon, Olivier; Inglebert, Mehdi; Lacot, Eric

    2016-12-01

    In this article, we study the nonlinear dynamics of a laser subjected to frequency shifted optical reinjection coming back from a vibrating target. More specifically, we study the nonlinear dynamical coupling between the carrier and the vibration signal. The present work shows how the nonlinear amplification of the vibration spectrum is related to the strength of the carrier and how it must be compensated to obtain accurate (i.e., without bias) vibration measurements. The theoretical predictions, confirmed by numerical simulations, are in good agreement with the experimental data. The main motivation of this study is the understanding of the nonlinear response of a laser optical feedback imaging sensor for quantitative phase measurements of small vibrations in the case of strong optical feedback.

  18. Note: A component-level frequency tunable isolator for vibration-sensitive chips using SMA beams.

    PubMed

    Zhang, Xiaoyong; Ding, Xin; Wu, Di; Qi, Junlei; Wang, Ruixin; Lu, Siwei; Yan, Xiaojun

    2016-06-01

    This note presents a component-level frequency tunable isolator for vibration-sensitive chips. The isolator employed 8 U-shaped shape memory alloy (SMA) beams to support an isolation island (used for mounting chips). Due to the temperature-induced Young's modulus variation of SMA, the system stiffness of the isolator can be controlled through heating the SMA beams. In such a way, the natural frequency of the isolator can be tuned. A prototype was fabricated to evaluate the concept. The test results show that the natural frequency of the isolator can be tuned in the range of 64 Hz-97 Hz by applying different heating strategies. Moreover, resonant vibration can be suppressed significantly (the transmissibility decreases about 65% near the resonant frequency) using a real-time tuning method.

  19. Effects of the different frequencies of whole-body vibration during the recovery phase after exhaustive exercise.

    PubMed

    Cheng, C F; Hsu, W C; Lee, C L; Chung, P K

    2010-12-01

    This study was to investigate the effects of vibration exercise on the oxygen consumption (VO2) and heart rate variability (HRV) during the recovery phase after exhaustive exercise. Twenty male college students volunteered as subjects to participate in the study. The subjects were randomly crossover assigned to perform three 10 min vibration exercises, namely non-vibration (CON, 0 Hz, 0 mm), low-frequency (LFT, 20 Hz, 0.4 mm) and high-frequency (HFT, 36 Hz, 0.4 mm) treatments immediately after an incremental exhaustive cycling exercise in separated days. The beat-to-beat HRV, blood lactate concentration and VO2 were measured during the 1-hour recovery phase. The time- and frequency-domain indices of HRV were analyzed to confirm the effects of vibration exercises on the cardiac autonomic modulation. There were no significant differences on the VO2, HRV and blood lactate concentrations at 30th minute (post-30 min) or 60th minute (post-60 min) during the recovery phase among the three treatments. There were also no significant differences on the excess post-exercise oxygen consumption (EPOC) during the recovery phase among the treatments. However, the VO2 at post-30 min in CON and LFT were significantly higher than the baseline values, whereas the VO2 in HFT returned to resting condition at the post-30 min. The results indicate that both low and high frequency vibration exercises could not improve the physiological recovery after exhaustive cycling exercise. However, the high frequency vibration exercise probably has a potential to facilitate the VO2 to return to the resting level during the recovery phase.

  20. Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

    DOE PAGES

    Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.; ...

    2016-04-14

    Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

  1. Observation of b 2 symmetry vibrational levels of the SO 2C 1B 2 state: Vibrational level staggering, Coriolis interactions, and rotation-vibration constants

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

    Park, G. Barratt; Jiang, Jun; Saladrigas, Catherine A.

    Here, the C 1B 2 state of SO 2 has a double-minimum potential in the antisymmetric stretch coordinate, such that the minimum energy geometry has nonequivalent SO bond lengths. However, low-lying levels with odd quanta of antisymmetric stretch (b 2 vibrational symmetry) have not previously been observed because transitions into these levels from the zero-point level of the X ~ state are vibronically forbidden. We use IR-UV double resonance to observe the b 2 vibrational levels of the C state below 1600 cm –1 of vibrational excitation. This enables a direct characterization of the vibrational level staggering that results frommore » the double-minimum potential. In addition, it allows us to deperturb the strong c-axis Coriolis interactions between levels of a 1 and b 2 vibrational symmetry, and to determine accurately the vibrational dependence of the rotational constants in the distorted C electronic state.« less

  2. C-130J Human Vibration

    DTIC Science & Technology

    2005-08-01

    Hulshof , 1999; Dupuis & Zerlett, 1986; Kittusamy & Buchholz, 2004; Seidel, 1993). There is also evidence of intervertebral disc problems and...Bovenzi, M., & Hulshof , C.T.J. (1999). An updated review of epidemiologic studies on the relationship between exposure to whole-body vibration and

  3. Effects of central metal ions on vibrational circular dichroism spectra of tris-(beta-diketonato)metal(III) complexes.

    PubMed

    Sato, Hisako; Taniguchi, Tohru; Nakahashi, Atsufumi; Monde, Kenji; Yamagishi, Akihiko

    2007-08-06

    Vibrational circular dichroism (VCD) spectra of a series of [M(III)(acac)3] (acac = acetylacetonato; M = Cr, Co, Ru, Rh, Ir, and Al) and [M(III)(acac)2(dbm)] (dbm = dibenzoylmethanato; M = Cr, Co, and Ru) have been investigated experimentally and/or theoretically in order to see the effect of the central metal ion on the vibrational dynamics of ligands. The optical antipodes give the mirror-imaged spectra in the region of 1700-1000 cm(-1). The remarkable effect of the central metal ion is observed experimentally on the VCD peaks due to C-O stretches (1500-1300 cm(-1)) for both [M(III)(acac)3] and [M(III)(acac)2(dbm)]. In the case of Delta-[M(III)(acac)3], for example, the order of frequency of two C-O stretches (E and A2 symmetries) is dependent on the kind of a central metal ion as follows: E (-) > A2 (+) for M = Co, Rh, and Ir, while A2 (+) > E (-) for M = Cr and Ru. In the case of Delta-[M(III)(acac)2(dbm)], the order of frequency of three C-O stretches (A, B, and B symmetries) is as follows: A (-) > B (+) > B (+) for Co(III), B (+) > A (-) > B (-) for Cr(III), and A (-) > B (+) > B (-) for Ru(III). These results imply that the energy levels of C-O stretches are delicately affected by the kind of central metal ion. Since such detailed information is not obtained from the IR spectra alone, the VCD spectrum can probe the effect of the central metal ion on interligand cooperative vibration modes.

  4. Vibrational spectroscopic study of the antimonate mineral bindheimite Pb 2Sb 2O 6(O,OH)

    NASA Astrophysics Data System (ADS)

    Bahfenne, Silmarilly; Frost, Ray L.

    2009-09-01

    Raman spectroscopy complimented with infrared spectroscopy has been used to characterise the antimonate mineral bindheimite Pb 2Sb 2O 6(O,OH). The mineral is characterised by an intense Raman band at 656 cm -1 assigned to SbO stretching vibrations. Other lower intensity bands at 664, 749 and 814 cm -1 are also assigned to stretching vibrations. This observation suggests the non-equivalence of SbO units in the structure. Low intensity Raman bands at 293, 312 and 328 cm -1 are assigned to the OSbO bending vibrations. Infrared bands at 979, 1008, 1037 and 1058 cm -1 may be assigned to δOH deformation modes of SbOH units. Infrared bands at 1603 and 1640 cm -1 are assigned to water bending vibrations, suggesting that water is involved in the bindheimite structure. Broad infrared bands centred upon 3250 cm -1 supports this concept. Thus the true formula of bindheimite is questioned and probably should be written as Pb 2Sb 2O 6(O,OH,H 2O).

  5. A nonlinear vibration isolator achieving high-static-low-dynamic stiffness and tunable anti-resonance frequency band

    NASA Astrophysics Data System (ADS)

    Sun, Xiuting; Jing, Xingjian

    2016-12-01

    This study investigates theoretically and experimentally a vibration isolator constructed by an n-layer Scissor-Like Structure (SLS), focusing on the analysis and design of nonlinear stiffness and damping characteristics for advantageous isolation performance in both orthogonal directions. With the mathematical modeling, the influence incurred by different structural parameters on system isolation performance is studied. It is shown that, (a) nonlinear high-static-low-dynamic stiffness and damping characteristics can be seen such that the system can achieve good isolation performance in both directions, (b) an anti-resonance frequency band exists due to the coupling effect between the linear and nonlinear stiffness in the two orthogonal directions within the structure, and (c) all these performances are designable with several structural parameters. The advantages of the proposed system are shown through comparisons with an existing quasi-zero-stiffness vibration isolator (QZS-VI) and a traditional mass-spring-damper vibration isolator (MSD-VI), and further validated by experimental results.

  6. Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

    2013-11-01

    The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

  7. The molecular structure and vibrational, 1H and 13C NMR spectra of lidocaine hydrochloride monohydrate

    NASA Astrophysics Data System (ADS)

    Badawi, Hassan M.; Förner, Wolfgang; Ali, Shaikh A.

    2016-01-01

    The structure, vibrational and NMR spectra of the local anesthetic drug lidocaine hydrochloride monohydrate salt were investigated by B3LYP/6-311G∗∗ calculations. The lidocaine·HCl·H2O salt is predicted to have the gauche structure as the predominant form at ambient temperature with NCCN and CNCC torsional angles of 110° and -123° as compared to 10° and -64°, respectively in the base lidocaine. The repulsive interaction between the two N-H bonds destabilized the gauche structure of lidocaine·HCl·H2O salt. The analysis of the observed vibrational spectra is consistent with the presence of the lidocaine salt in only one gauche conformation at room temperature. The 1H and 13C NMR spectra of lidocaine·HCl·H2O were interpreted by experimental and DFT calculated chemical shifts of the lidocaine salt. The RMSD between experimental and theoretical 1H and 13C chemical shifts for lidocaine·HCl·H2O is 2.32 and 8.21 ppm, respectively.

  8. Frequency- and doping-level influence on electric and dielectric properties of PolySi/SiO2/cSi (MOS) structures

    NASA Astrophysics Data System (ADS)

    Doukhane, N.; Birouk, B.

    2018-03-01

    The electric and dielectric characteristics of PolySi/SiO2/cSi (MOS) structure, such as series resistance ( R s), dielectric constants ( ɛ') and ( ɛ″), dielectric losses (tan δ), and the ac electric conductivity ( σ ac), were studied in the frequency range 100 kHz-1 MHz for various doping levels and two thicknesses for the polysilicon layer (100 and 175 nm). The experimental results show that the C and G/ ω characteristics are very sensitive to the frequency due to the presence of interface states. Series resistance R s is deduced from C and G/ ω measurements and is plotted as a function of the frequency for various doping levels. It is found to decrease with frequency and doping level. To determine {ɛ ^' }, ɛ″, tan δ, and {σ _{{ac}}}, the admittance technique was used. An interesting behavior of the constants, {ɛ ^' } and ɛ″, was noticed. The {ɛ ^' } values fit led to relations between {ɛ ^' } and the frequency, on one hand, and between {ɛ ^' } and the electric conductivity of the polysilicon layers on the other. These relations make it possible to interpolate directly between two experimental points for a given frequency. The analysis of the results shows that the values of {ɛ ^' }, ɛ″, and tan δ decrease with increasing frequency. This is due to the fact that in the region of low frequencies, interfacial polarization occurs easily, and the interface states between Si and SiO2 contribute to the improvement of the dielectric properties of the PolySi/SiO2/cSi structures. The study also emphasizes that the ac electric conductivity increases with the increase in frequency and doping level; this causes to the reduction in series resistance.

  9. Vibrational, NMR spectrum and orbital analysis of 3,3',5,5'-tetrabromobisphenol A: a combined experimental and computational study.

    PubMed

    Qiu, Shanshan; Wei, Jin; Pan, Feng; Liu, Jingping; Zhang, Aiqian

    2013-03-15

    In the present work, the experimental and theoretical studies on the structure, vibrations, NMR and HOMO-LUMO analysis of 3,3',5,5'-tetrabromobisphenol A (TBBPA) are presented. The FT-IR (400-4000 cm(-1)) and FT-Raman (100-4000 cm(-1)) spectra of TBBPA were recorded. The molecular geometry, vibrational frequencies were calculated by using density functional theory (DFT) method with the 6-31G(d) basis set. The optimized geometric properties, scaled vibrational wavenumbers, IR intensities, Raman activities show good agreement with the experimental data. The assigned vibrational modes of the IR and Raman spectra were compared with the corresponding properties of the polybrominated diphenyl ethers (PBDEs). Comparative analysis indicated that the red shift of C-Br vibration could probably be ascribed to the further electronic density equalization due to the p-π conjugation between O atom and the benzene. The natural bonding orbital (NBO) analysis demonstrated that the intermolecular hyperconjugative interactions are mainly formed by the orbital overlap between σ (O-H), σ(*) (C-C), π (C-C), π(*) (C-C) bond orbitals. Compared to the higher E((2)) value (33.65-34.82 kcal/mol) originated from LP(2)O to π(*) (C-C), the one (E((2)): 8.23-9.73 kcal/mol) from LP(3)Br and π(*) (C-C) contributes to the preferential tendency of C-Br breakage to the C-O breakage in the transformation. The calculated NMR results obtained on the 6-31G(d) level proves good agreement with the experimental data (r(2)=0.999). Analysis of isosurface of the related orbital shows that all the main excitation exhibit π-π(*) character localized on the benzene rings. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Metal isotope and density functional study of the tetracarboxylatodicopper(II) core vibrations

    NASA Astrophysics Data System (ADS)

    Drożdżewski, Piotr; Brożyna, Anna

    2005-11-01

    Vibrational spectra of tetrakis(acetato)diaquadicopper(II) complex have been deeply examined in order to provide a detailed description of dynamics of [Cu 2O 8C 4] core being a typical structural unit of most copper(II) carboxylates. Low frequency bands related to significant motions of metal atoms were detected by metal isotope substitution. Observed spectra and isotope shifts were reproduced in DFT calculations. For clear presentation of computed normal vibrations, a D 4h symmetry approximation was successfully applied. Basing on observed isotope shifts and calculation results, all skeletal vibrations have been analyzed including normal mode with the largest Cu ⋯Cu stretching amplitude assigned to Raman band at 178 cm -1.

  11. Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

    NASA Astrophysics Data System (ADS)

    Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

    1994-05-01

    Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

  12. Low-frequency zone boundary phonons in Li doped ZnO ceramics

    NASA Astrophysics Data System (ADS)

    Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay; Katiyar, R. S.

    2008-09-01

    Room temperature Raman spectra of Li doped ZnO (Zn1-xLixO) ceramics with varying Li concentrations (x =0.0, 0.05, 0.10, and 0.15) are investigated in this study. Four peaks were identified at 96.6, 127, 157, and 194 cm-1 in the Li doped samples. The peaks at 127, 157, and 194 cm-1 are assigned to zone boundary phonons in ZnO [J. M. Calleja and M. Cardona, Phys. Rev. B 16, 3753 (1977)], and appear due to disorder in ZnO lattice with Li incorporation. Lithium, owing to its smaller radius, adjusts itself anywhere in the ZnO lattice and breaks the crystal translational symmetry to a large extent, compared to other dopants. Disorder in the lattice is seen to be finely modulated with varying Li content. The peak at 96.6 cm-1 is hypothesized to be a projection of the vibrational motion of Li atoms at lower frequencies, which contributes in a major fashion at higher frequencies, due to its lighter mass than Zn or O atoms.

  13. Composite 3D-printed metastructures for low-frequency and broadband vibration absorption

    NASA Astrophysics Data System (ADS)

    Matlack, Kathryn H.; Bauhofer, Anton; Krödel, Sebastian; Palermo, Antonio; Daraio, Chiara

    2016-07-01

    Architected materials that control elastic wave propagation are essential in vibration mitigation and sound attenuation. Phononic crystals and acoustic metamaterials use band-gap engineering to forbid certain frequencies from propagating through a material. However, existing solutions are limited in the low-frequency regimes and in their bandwidth of operation because they require impractical sizes and masses. Here, we present a class of materials (labeled elastic metastructures) that supports the formation of wide and low-frequency band gaps, while simultaneously reducing their global mass. To achieve these properties, the metastructures combine local resonances with structural modes of a periodic architected lattice. Whereas the band gaps in these metastructures are induced by Bragg scattering mechanisms, their key feature is that the band-gap size and frequency range can be controlled and broadened through local resonances, which are linked to changes in the lattice geometry. We demonstrate these principles experimentally, using advanced additive manufacturing methods, and inform our designs using finite-element simulations. This design strategy has a broad range of applications, including control of structural vibrations, noise, and shock mitigation.

  14. Fluid dynamic aspects of cardiovascular behavior during low-frequency whole-body vibration

    NASA Technical Reports Server (NTRS)

    Nerem, R. M.

    1973-01-01

    The behavior of the cardiovascular system during low frequency whole-body vibration, such as encountered by astronauts during launch and reentry, is examined from a fluid mechanical viewpoint. The vibration characteristics of typical manned spacecraft and other vibration environments are discussed, and existing results from in vivo studies of the hemodynamic aspects of this problem are reviewed. Recent theoretical solutions to related fluid mechanical problems are then used in the interpretation of these results and in discussing areas of future work. The results are included of studies of the effects of vibration on the work done by the heart and on pulsatile flow in blood vessels. It is shown that important changes in pulse velocity, the instantaneous velocity profile, mass flow rate, and wall shear stress may occur in a pulsatile flow due to the presence of vibration. The significance of this in terms of changes in peripheral vascular resistance and possible damage to the endothelium of blood vessels is discussed.

  15. Vibrational characteristics of FRP-bonded concrete interfacial defects in a low frequency regime

    NASA Astrophysics Data System (ADS)

    Cheng, Tin Kei; Lau, Denvid

    2014-04-01

    As externally bonded fiber-reinforced polymer (FRP) is a critical load-bearing component of strengthened or retrofitted civil infrastructures, the betterment of structural health monitoring (SHM) methodology for such composites is imperative. Henceforth the vibrational characteristics of near surface interfacial defects involving delamination and trapped air pockets at the FRP-concrete interface are investigated in this study using a finite element approach. Intuitively, due to its lower interfacial stiffness compared with an intact interface, a damaged region is expected to have a set of resonance frequencies different from an intact region when excited by acoustic waves. It has been observed that, when excited acoustically, both the vibrational amplitudes and frequency peaks in the response spectrum of the defects demonstrate a significant deviation from an intact FRP-bonded region. For a thin sheet of FRP bonded to concrete with sizable interfacial defects, the fundamental mode under free vibration is shown to be relatively low, in the order of kHz. Due to the low resonance frequencies of the defects, the use of low-cost equipment for interfacial defect detection via response spectrum analysis is highly feasible.

  16. Synthesis, structural, dielectric and magnetic properties of CuFe2O4/MnO2 nanocomposites

    NASA Astrophysics Data System (ADS)

    Ali, Kashif; Bahadur, Ali; Jabbar, Abdul; Iqbal, Shahid; Ahmad, Ijaz; Bashir, Muhammad Imran

    2017-07-01

    Novel nanocomposite of (1-x)CuFe2O4/xMnO2 [x=10% to 50 wt%] has been synthesized by two step wet chemical route without impurity. The x-ray diffraction analysis shows the formation of both phases with crystallite size 40-100 nm which is consist ant with estimated size of SEM.The FTIR spectra confirms the characteristics vibration of ferrites atoms at tetrahedral and octahedral sites along with Mn-O vibration mode, which also confirms the coexistence of both phases. The dielectric properties studied by LCR meter in frequency range of 1 K Hz to 2 MHz.The dielectric constant and tangent loss shows same dispersion of ferrites while a.c. conductivity decreases with increase in MnO2 contents. The real and imaginary part of impedance also calculated which shows decreasing trend at higher frequency. The magnetic characterization performed by vibrating sample magnetometer (VSM) at room temperature, which shows normal ferromagnetic behavior of ferrites but saturation magnetization and coercivity decreases with incorporation of MnO2 contents.

  17. Application of analysis techniques for low frequency interior noise and vibration of commercial aircraft

    NASA Technical Reports Server (NTRS)

    Landmann, A. E.; Tillema, H. F.; Macgregor, G. R.

    1992-01-01

    Finite element analysis (FEA), statistical energy analysis (SEA), and a power flow method (computer program PAIN) were used to assess low frequency interior noise associated with advanced propeller installations. FEA and SEA models were used to predict cabin noise and vibration and evaluate suppression concepts for structure-borne noise associated with the shaft rotational frequency and harmonics (less than 100 Hz). SEA and PAIN models were used to predict cabin noise and vibration and evaluate suppression concepts for airborne noise associated with engine radiated propeller tones. Both aft-mounted and wing-mounted propeller configurations were evaluated. Ground vibration test data from a 727 airplane modified to accept a propeller engine were used to compare with predictions for the aft-mounted propeller. Similar data from the 767 airplane was used for the wing-mounted comparisons.

  18. Vibrational frequencies and dephasing times in excited electronic states by femtosecond time-resolved four-wave mixing

    NASA Astrophysics Data System (ADS)

    Joo, Taiha; Albrecht, A. C.

    1993-06-01

    Time-resolved degenerate four-wave mixing (TRDFWM) for an electronically resonant system in a phase-matching configuration that measures population decay is reported. Because the spectral width of input light exceeds the vibrational Bohr frequency of a strong Raman active mode, the vibrational coherence produces strong oscillations in the TRDFWM signal together with the usual population decay from the excited electronic state. The data are analyzed in terms of a four-level system: ground and excited electronic states each split by a vibrational quantum of a Raman active mode. Absolute frequencies and their dephasing times of the vibrational modes at ≈590 cm -1 are obtained for the excited as well as the ground electronic state. The vibrational dephasing rate in the excited electronic state is about an order of magnitude faster than that in the ground state, the origin of which is speculated upon.

  19. Reinterpretation of the Vibrational Spectroscopy of the Medicinal Bioinorganic Synthon c,c,t-[Pt(NH3)2Cl2(OH)2]†

    PubMed Central

    Johnstone, Timothy C.

    2014-01-01

    The Pt(IV) complex c,c,t-[Pt(NH3)2Cl2(OH)2] is an important intermediate in the synthesis of Pt(IV) anticancer prodrugs and has been investigated as an anticancer agent in its own right. An analysis of the vibrational spectroscopy of this molecule was previously reported [Faggiani et al., 1982, Can. J. Chem. 60, 529] in which crystallographic determination of the structure of the complex permitted a site group approach. The space group, however, was incorrectly assigned. In the present study we have redetermined at high resolution crystal structures of c,c,t-[Pt(NH3)2Cl2(OH)2] and c,c,t-[Pt(NH3)2Cl2(OH)2]·H2O2, which enable discussion of the effect of hydrogen bonding on the N–H and O–H vibrational bands. The correct crystallographic site symmetry of the platinum complex in the c,c,t-[Pt(NH3)2Cl2(OH)2] structure is employed to conduct a new vibrational analysis using both group theoretical and modern DFT methods. This analysis reveals the nature and symmetry of the “missing band” described in the original publication and suggests a possible explanation for its disappearance. PMID:24515615

  20. Vibration-response due to thickness loss on steel plate excited by resonance frequency

    NASA Astrophysics Data System (ADS)

    Kudus, S. A.; Suzuki, Y.; Matsumura, M.; Sugiura, K.

    2018-04-01

    The degradation of steel structure due to corrosion is a common problem found especially in the marine structure due to exposure to the harsh marine environment. In order to ensure safety and reliability of marine structure, the damage assessment is an indispensable prerequisite for plan of remedial action on damaged structure. The main goal of this paper is to discuss simple vibration measurement on plated structure to give image on overview condition of the monitored structure. The changes of vibration response when damage was introduced in the plate structure were investigated. The damage on plate was simulated in finite element method as loss of thickness section. The size of damage and depth of loss of thickness were varied for different damage cases. The plate was excited with lower order of resonance frequency in accordance estimate the average remaining thickness based on displacement response obtain in the dynamic analysis. Significant reduction of natural frequency and increasing amplitude of vibration can be observed in the presence of severe damage. The vibration analysis summarized in this study can serve as benchmark and reference for researcher and design engineer.

  1. Vibrational spectroscopy of (SO4(2-)).(H2O)n clusters, n=1-5: harmonic and anharmonic calculations and experiment.

    PubMed

    Miller, Yifat; Chaban, Galina M; Zhou, Jia; Asmis, Knut R; Neumark, Daniel M; Gerber, R Benny

    2007-09-07

    The vibrational spectroscopy of (SO4(2-)).(H2O)n is studied by theoretical calculations for n=1-5, and the results are compared with experiments for n=3-5. The calculations use both ab initio MP2 and DFT/B3LYP potential energy surfaces. Both harmonic and anharmonic calculations are reported, the latter with the CC-VSCF method. The main findings are the following: (1) With one exception (H2O bending mode), the anharmonicity of the observed transitions, all in the experimental window of 540-1850 cm(-1), is negligible. The computed anharmonic coupling suggests that intramolecular vibrational redistribution does not play any role for the observed linewidths. (2) Comparison with experiment at the harmonic level of computed fundamental frequencies indicates that MP2 is significantly more accurate than DFT/B3LYP for these systems. (3) Strong anharmonic effects are, however, calculated for numerous transitions of these systems, which are outside the present observation window. These include fundamentals as well as combination modes. (4) Combination modes for the n=1 and n=2 clusters are computed. Several relatively strong combination transitions are predicted. These show strong anharmonic effects. (5) An interesting effect of the zero point energy (ZPE) on structure is found for (SO4(2-)).(H2O)(5): The global minimum of the potential energy corresponds to a C(s) structure, but with incorporation of ZPE the lowest energy structure is C2v, in accordance with experiment. (6) No stable structures were found for (OH-).(HSO4-).(H2O)n, for n

  2. Influence of stimulus frequency and probe size on vibration-induced alleviation of acute orofacial pain.

    PubMed

    Hansson, P; Ekblom, A

    1986-01-01

    The pain-relieving effect of vibratory stimulation, using different stimulus parameters, and placebo stimulation in acute orofacial pain is reported. The influence of 10-, 100-, and 200-Hz vibrations on pain reduction was studied in 96 patients; two different probe sizes were used. 54 out of 76 patients, receiving vibrations at any of the above frequencies, reported relief of pain to some extent, while only 6 out of 20 patients receiving placebo treatment experienced pain alleviation. No significant differences were found between the different frequencies and probe sizes used regarding the pain-relieving effect. However, placebo stimulation was significantly less effective than any kind of vibratory stimulation. Induction time for pain relief was significantly shorter using the larger probe as compared to using the smaller probe, regardless of frequency. The results indicate that the vibratory frequency (10-200 Hz) for activation of pain-inhibitory mechanisms is not critical in acute orofacial pain. Also, spatial summation from vibration-sensitive afferents seems to be of importance for a fast activation of the inhibitory systems.

  3. Spinal reflex alterations as a function of intensity and frequency of vibration applied to the feet of seated subjects.

    PubMed

    Martin, B J; Roll, J P; Gauthier, G M

    1984-01-01

    Sensorimotor system performance is known to be altered by vibration applied locally to tendons and muscles or to the whole body. The present study is an attempt to determine the influence of vibration amplitude, acceleration, and frequency on the excitability of the motoneurons as evaluated by the amplitude of electrically induced spinal reflex response in man. The results show that a vibration applied to the legs of a seated subject (S) decreased the reflex response. The effect is directly related to the vibration intensity. The reflex amplitude is minimal in the 10-30 Hz range. At constant acceleration, the depressive effect decreased beyond 20-30 Hz while, at constant displacement amplitude, the reflex inhibition was almost constant throughout the frequency range of 20-60 Hz. These observations suggest that the diminution of the reflex response is mainly related to the amplitude of the vibration, regardless of the frequency. The results are interpreted in light of current knowledge of the effect of locally applied vibration on muscle tendons. The marked inhibition observed in the 10-30 Hz range, even with moderate intensity, suggests that particular attention should be devoted to avoid vibration in that frequency range in vehicles in order to prevent alteration of the performance of sensorimotor systems.

  4. First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation.

    PubMed

    Keçeli, Murat; Hirata, So; Yagi, Kiyoshi

    2010-07-21

    The frequencies of the infrared- and/or Raman-active (k=0) vibrations of polyethylene and polyacetylene are computed by taking account of the anharmonicity in the potential energy surfaces (PESs) and the resulting phonon-phonon couplings explicitly. The electronic part of the calculations is based on Gaussian-basis-set crystalline orbital theory at the Hartree-Fock and second-order Møller-Plesset (MP2) perturbation levels, providing one-, two-, and/or three-dimensional slices of the PES (namely, using the so-called n-mode coupling approximation with n=3), which are in turn expanded in the fourth-order Taylor series with respect to the normal coordinates. The vibrational part uses the vibrational self-consistent field, vibrational MP2, and vibrational truncated configuration-interaction (VCI) methods within the Gamma approximation, which amounts to including only k=0 phonons. It is shown that accounting for both electron correlation and anharmonicity is essential in achieving good agreement (the mean and maximum absolute deviations less than 50 and 90 cm(-1), respectively, for polyethylene and polyacetylene) between computed and observed frequencies. The corresponding values for the calculations including only one of such effects are in excess of 120 and 300 cm(-1), respectively. The VCI calculations also reproduce semiquantitatively the frequency separation and intensity ratio of the Fermi doublet involving the nu(2)(0) fundamental and nu(8)(pi) first overtone in polyethylene.

  5. Application of gradient elasticity to benchmark problems of beam vibrations

    NASA Astrophysics Data System (ADS)

    Kateb, K. M.; Almitani, K. H.; Alnefaie, K. A.; Abu-Hamdeh, N. H.; Papadopoulos, P.; Askes, H.; Aifantis, E. C.

    2016-04-01

    The gradient approach, specifically gradient elasticity theory, is adopted to revisit certain typical configurations on mechanical vibrations. New results on size effects and scale-dependent behavior not captured by classical elasticity are derived, aiming at illustrating the usefulness of this approach to applications in advanced technologies. In particular, elastic prismatic straight beams in bending are discussed using two different governing equations: the gradient elasticity bending moment equation (fourth order) and the gradient elasticity deflection equation (sixth order). Different boundary/support conditions are examined. One problem considers the free vibrations of a cantilever beam loaded by an end force. A second problem is concerned with a simply supported beam disturbed by a concentrated force in the middle of the beam. Both problems are solved analytically. Exact free vibration frequencies and mode shapes are derived and presented. The difference between the gradient elasticity solution and its classical counterpart is revealed. The size ratio c/L (c denotes internal length and L is the length of the beam) induces significant effects on vibration frequencies. For both beam configurations, it turns out that as the ratio c/L increases, the vibration frequencies decrease, a fact which implies lower beam stiffness. Numerical examples show this behavior explicitly and recover the classical vibration behavior for vanishing size ratio c/L.

  6. Theory and experiment research for ultra-low frequency maglev vibration sensor.

    PubMed

    Zheng, Dezhi; Liu, Yixuan; Guo, Zhanshe; Zhao, Xiaomeng; Fan, Shangchun

    2015-10-01

    A new maglev sensor is proposed to measure ultra-low frequency (ULF) vibration, which uses hybrid-magnet levitation structure with electromagnets and permanent magnets as the supporting component, rather than the conventional spring structure of magnetoelectric vibration sensor. Since the lower measurement limit needs to be reduced, the equivalent bearing stiffness coefficient and the equivalent damping coefficient are adjusted by the sensitivity unit structure of the sensor and the closed-loop control system, which realizes both the closed-loop control and the solving algorithms. A simple sensor experimental platform is then assembled based on a digital hardware system, and experimental results demonstrate that the lower measurement limit of the sensor is increased to 0.2 Hz under these experimental conditions, indicating promising results of the maglev sensor for ULF vibration measurements.

  7. Theory and experiment research for ultra-low frequency maglev vibration sensor

    NASA Astrophysics Data System (ADS)

    Zheng, Dezhi; Liu, Yixuan; Guo, Zhanshe; Zhao, Xiaomeng; Fan, Shangchun

    2015-10-01

    A new maglev sensor is proposed to measure ultra-low frequency (ULF) vibration, which uses hybrid-magnet levitation structure with electromagnets and permanent magnets as the supporting component, rather than the conventional spring structure of magnetoelectric vibration sensor. Since the lower measurement limit needs to be reduced, the equivalent bearing stiffness coefficient and the equivalent damping coefficient are adjusted by the sensitivity unit structure of the sensor and the closed-loop control system, which realizes both the closed-loop control and the solving algorithms. A simple sensor experimental platform is then assembled based on a digital hardware system, and experimental results demonstrate that the lower measurement limit of the sensor is increased to 0.2 Hz under these experimental conditions, indicating promising results of the maglev sensor for ULF vibration measurements.

  8. Characteristics of Vibration that Alter Cardiovascular Parameters in Mice

    PubMed Central

    Li, Yao; Rabey, Karyne N; Schmitt, Daniel; Norton, John N; Reynolds, Randall P

    2015-01-01

    We hypothesized that short-term exposure of mice to vibration within a frequency range thought to be near the resonant frequency range of mouse tissue and at an acceleration of 0 to 1 m/s2 would alter heart rate (HR) and mean arterial pressure (MAP). We used radiotelemetry to evaluate the cardiovascular response to vibration in C57BL/6 and CD1 male mice exposed to vertical vibration of various frequencies and accelerations. MAP was consistently increased above baseline values at an acceleration near 1 m/s2 and a frequency of 90 Hz in both strains, and HR was increased also in C57BL/6 mice. In addition, MAP increased at 80 Hz in individual mice of both strains. When both strains were analyzed together, mean MAP and HR were increased at 90 Hz at 1 m/s2, and HR was increased at 80 Hz at 1 m/s2. No consistent change in MAP or HR occurred when mice were exposed to frequencies below 80 Hz or above 90 Hz. The increase in MAP and HR occurred only when the mice had conscious awareness of the vibration, given that these changes did not occur when anesthetized mice were exposed to vibration. Tested vibration acceleration levels lower than 0.75 m/s2 did not increase MAP or HR at 80 or 90 Hz, suggesting that a relatively high level of vibration is necessary to increase these parameters. These data are important to establish the harmful frequencies and accelerations of environmental vibration that should be minimized or avoided in mouse facilities. PMID:26224436

  9. The correction of vibration in frequency scanning interferometry based absolute distance measurement system for dynamic measurements

    NASA Astrophysics Data System (ADS)

    Lu, Cheng; Liu, Guodong; Liu, Bingguo; Chen, Fengdong; Zhuang, Zhitao; Xu, Xinke; Gan, Yu

    2015-10-01

    Absolute distance measurement systems are of significant interest in the field of metrology, which could improve the manufacturing efficiency and accuracy of large assemblies in fields such as aircraft construction, automotive engineering, and the production of modern windmill blades. Frequency scanning interferometry demonstrates noticeable advantages as an absolute distance measurement system which has a high precision and doesn't depend on a cooperative target. In this paper , the influence of inevitable vibration in the frequency scanning interferometry based absolute distance measurement system is analyzed. The distance spectrum is broadened as the existence of Doppler effect caused by vibration, which will bring in a measurement error more than 103 times bigger than the changes of optical path difference. In order to decrease the influence of vibration, the changes of the optical path difference are monitored by a frequency stabilized laser, which runs parallel to the frequency scanning interferometry. The experiment has verified the effectiveness of this method.

  10. Ro-vibrational spectrum of H2O-Ne in the ν2 H2O bending region: A combined ab initio and experimental investigation

    NASA Astrophysics Data System (ADS)

    Liu, Xunchen; Hou, Dan; Thomas, Javix; Li, Hui; Xu, Yunjie

    2016-12-01

    High resolution ro-vibrational transitions of the H2O-Ne complex in the ν2 bending region of H2O at 6 μm have been measured using a rapid scan infrared spectrometer based on an external cavity quantum cascade laser and an astigmatic multipass optical cell. To aid the spectral assignment, a four-dimension potential energy surface of H2O-Ne which depends on the intramolecular bending coordinate of the H2O monomer and the three intermolecular vibrational coordinates has been constructed and the rovibrational transitions have been calculated. Three ortho and two para H2O-20Ne bands have been identified from the experimental spectra. Some weaker transitions belonging to H2O-22Ne have also been identified experimentally. Spectroscopic fits have been performed for both the experimental and theoretical transition frequencies using a simple pseudo-diatomic Hamiltonian including both Coriolis coupling and Fermi resonance terms. The experimental and theoretical spectroscopic constants thus obtained have been compared. Further improvements needed in the potential energy surface and the related spectral simulation have been discussed.

  11. A vibration model for frequency analysis of arterial tubes with tissue

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoming; Fatemi, Mostafa; Greenleaf, James F.

    2003-04-01

    Vibro-acoustography is a new noncontact imaging method based on the radiation force of ultrasound. We extend this technique for tissue characterization of arterial tubes by vibration techniques. The arterial tube can be excited remotely by ultrasound at its resonant frequencies where the vibration and acoustic emission of the tube can be measurable. From these resonant frequencies, the material properties of the arterial tube can be found. A theory for a tube with tissue is formulated using first-order shear deformation theory to include the effects of transverse shear deformation and rotary inertia. A wave propagation approach is applied for easy handling of the boundary conditions. Experimental studies were carried out on a silicone tube embedded in a cylindrical gel phantom. A confocal transducer is used to produce the radiation force of ultrasound for exciting the tube-phantom structure. The vibration of the tube and the phantom are measured with a laser vibrometry system. The fundamental mode of a tube-phantom structure is well excited by the radiation force of ultrasound, and was measured to be 81.8 Hz, which is close to the theoretical prediction of 83.3 Hz. Both excitation and measurement are remote and noncontact, important attributes for future study of arteries.

  12. Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

    NASA Astrophysics Data System (ADS)

    Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

    2016-01-01

    This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

  13. Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies.

    PubMed

    Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

    2016-01-01

    This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

  14. Influence of low-frequency vibration on changes of biochemical parameters of living rats

    NASA Astrophysics Data System (ADS)

    Kasprzak, Cezary; Damijan, Zbigniew; Panuszka, Ryszard

    2004-05-01

    The aim of the research was to investigate how some selected biochemical parameters of living rats depend on exposure of low-frequency vibrations. Experiments were run on 30 Wistar rats randomly segregated into three groups: (I) 20 days old (before puberty), (II) 70th day after; (III) control group. The exposure was repeated seven times, for 3 h, at the same time of day. Vibrations applied during the first tests of the experiment had acceleration 1.22 m/s2 and frequency 20 Hz. At the 135th day the rats' bones were a subject of morphometric/biochemical examination. The results of biochemical tests proved decrease in LDL and HDL cholesterol levels for exposed rats as well as the Ca contents in blood plasma. There was evident increasing of Ca in blood plasma in exposed rats for frequency of exposition.

  15. Unified treatment and measurement of the spectral resolution and temporal effects in frequency-resolved sum-frequency generation vibrational spectroscopy (SFG-VS).

    PubMed

    Velarde, Luis; Wang, Hong-Fei

    2013-12-14

    The lack of understanding of the temporal effects and the restricted ability to control experimental conditions in order to obtain intrinsic spectral lineshapes in surface sum-frequency generation vibrational spectroscopy (SFG-VS) have limited its applications in surface and interfacial studies. The emergence of high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS) with sub-wavenumber resolution [Velarde et al., J. Chem. Phys., 2011, 135, 241102] offers new opportunities for obtaining and understanding the spectral lineshapes and temporal effects in SFG-VS. Particularly, the high accuracy of the HR-BB-SFG-VS experimental lineshape provides detailed information on the complex coherent vibrational dynamics through direct spectral measurements. Here we present a unified formalism for the theoretical and experimental routes for obtaining an accurate lineshape of the SFG response. Then, we present a detailed analysis of a cholesterol monolayer at the air/water interface with higher and lower resolution SFG spectra along with their temporal response. With higher spectral resolution and accurate vibrational spectral lineshapes, it is shown that the parameters of the experimental SFG spectra can be used both to understand and to quantitatively reproduce the temporal effects in lower resolution SFG measurements. This perspective provides not only a unified picture but also a novel experimental approach to measuring and understanding the frequency-domain and time-domain SFG response of a complex molecular interface.

  16. Raman spectroscopy and x-ray diffraction of sp 3 CaC O 3 at lower mantle pressures

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

    Lobanov, Sergey S.; Dong, Xiao; Martirosyan, Naira S.

    The exceptional ability of carbon to form sp 2 and sp 3 bonding states leads to a great structural and chemical diversity of carbon-bearing phases at nonambient conditions. Here we use laser-heated diamond-anvil cells combined with synchrotron x-ray diffraction, Raman spectroscopy, and first-principles calculations to explore phase transitions in CaC O 3 at P > 40 GPa . We find that postaragonite CaC O 3 transforms to the previously predicted P 2 1 / c CaC O 3 with sp 3 -hybridized carbon at 105 GPa ( ~ 30 GPa higher than the theoretically predicted crossovermore » pressure). The lowest-enthalpy transition path to P2 1 / c CaC O 3 includes reoccurring sp 2 and sp 3 CaC O 3 intermediate phases and transition states, as revealed by our variable-cell nudged-elastic-band simulation. Raman spectra of P 2 1 / c CaC O 3 show an intense band at 1025 c m -1 , which we assign to the symmetric C-O stretching vibration based on empirical and first-principles calculations. This Raman band has a frequency that is ~ 20 % low-ymmetric C-O stretching in sp 2 CaC O 3 due to the C-O bond length increase across the sp 2 ~ sp 3 transition and can be used as a fingerprint of tetrahedrally coordinated carbon in other carbonates.« less

  17. Peculiarities of the third natural frequency vibrations of a cantilever for the improvement of energy harvesting.

    PubMed

    Ostasevicius, Vytautas; Janusas, Giedrius; Milasauskaite, Ieva; Zilys, Mindaugas; Kizauskiene, Laura

    2015-05-28

    This paper focuses on several aspects extending the dynamical efficiency of a cantilever beam vibrating in the third mode. A few ways of producing this mode stimulation, namely vibro-impact or forced excitation, as well as its application for energy harvesting devices are proposed. The paper presents numerical and experimental analyses of novel structural dynamics effects along with an optimal configuration of the cantilever beam. The peculiarities of a cantilever beam vibrating in the third mode are related to the significant increase of the level of deformations capable of extracting significant additional amounts of energy compared to the conventional harvester vibrating in the first mode. Two types of a piezoelectric vibrating energy harvester (PVEH) prototype are analysed in this paper: the first one without electrode segmentation, while the second is segmented using electrode segmentation at the strain nodes of the third vibration mode to achieve effective operation at the third resonant frequency. The results of this research revealed that the voltage generated by any segment of the segmented PVEH prototype excited at the third resonant frequency demonstrated a 3.4-4.8-fold increase in comparison with the non-segmented prototype. Simultaneously, the efficiency of the energy harvester prototype also increased at lower resonant frequencies from 16% to 90%. The insights presented in the paper may serve for the development and fabrication of advanced piezoelectric energy harvesters which would be able to generate a considerably increased amount of electrical energy independently of the frequency of kinematical excitation.

  18. Industrial filter bags cleaned by high-frequency vibration: A concept

    NASA Technical Reports Server (NTRS)

    Kooy, A. V.

    1973-01-01

    System holds filter bag around fine-mesh metal screen and vibrates screen at its resonant frequency. This removes deposited byproducts and protects bag fibers from damaging forces. Because filter bags represent 20 to 40% of any industrial filtering investment, this method of extending bag life should be of interest to those responsible for plant maintenance.

  19. Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries

    NASA Astrophysics Data System (ADS)

    Yu, Haoyu S.; Fiedler, Lucas J.; Alecu, I. M.; Truhlar, Donald G.

    2017-01-01

    We present a Python program, FREQ, for calculating the optimal scale factors for calculating harmonic vibrational frequencies, fundamental vibrational frequencies, and zero-point vibrational energies from electronic structure calculations. The program utilizes a previously published scale factor optimization model (Alecu et al., 2010) to efficiently obtain all three scale factors from a set of computed vibrational harmonic frequencies. In order to obtain the three scale factors, the user only needs to provide zero-point energies of 15 or 6 selected molecules. If the user has access to the Gaussian 09 or Gaussian 03 program, we provide the option for the user to run the program by entering the keywords for a certain method and basis set in the Gaussian 09 or Gaussian 03 program. Four other Python programs, input.py, input6, pbs.py, and pbs6.py, are also provided for generating Gaussian 09 or Gaussian 03 input and PBS files. The program can also be used with data from any other electronic structure package. A manual of how to use this program is included in the code package.

  20. Control of fluid flow during Bridgman crystal growth using low-frequency vibrational stirring

    NASA Astrophysics Data System (ADS)

    Zawilski, Kevin Thomas

    The goal of this research program was to develop an in depth understanding of a promising new method for stirring crystal growth melts called coupled vibrational stirring (CVS). CVS is a mixing technique that can be used in sealed systems and produces rapid mixing through vortex flows. Under normal operating conditions, CVS uses low-frequency vibrations to move the growth crucible along a circular path, producing a surface wave and convection in the melt. This research focused on the application of CVS to the vertical Bridgman technique. CVS generated flows were directly studied using a physical modeling system containing water/glycerin solutions. Sodium nitrate was chosen as a model growth system because the growth process could be directly observed using a transparent furnace. Lead magnesium niobate-lead titanate (PMNT) was chosen as the third system because of its potential application for high performance solid state transducers and actuators. In this study, the critical parameters for controlling CVS flows in cylindrical Bridgman systems were established. One of the most important results obtained was the dependence of an axial velocity gradient on the vibrational frequency. By changing the frequency, the intensity of fluid flow at a given depth can be easily manipulated. The intensity of CVS flows near the crystal-melt interface was found to be important. When flow intensity near the interface increased during growth, large growth rate fluctuations and significant changes in interface shape were observed. To eliminate such fluctuations, a constant flow rate near the crystal-melt interface was maintained by decreasing the vibrational frequency. A continuous frequency ramp was found to be essential to grow crystals of good quality under strong CVS flows. CVS generated flows were also useful in controlling the shape of the growth interface. In the sodium nitrate system without stirring, high growth rates produced a very concave interface. By adjusting the flow

  1. Spectroscopy of the low-frequency vibrational modes of CH3+ isotopologues

    NASA Astrophysics Data System (ADS)

    Asvany, Oskar; Thorwirth, Sven; Redlich, Britta; Schlemmer, Stephan

    2018-05-01

    The low-frequency stretching and bending vibrations of the isotopologues CH2D+,CD2H+ and CD3+ have been recorded at low temperature and low resolution. For this, a cryogenic 22-pole trapping machine coupled to an IR beamline of the FELIX free electron laser facility has been used. To record the overview spectra, the laser induced reactions CDm Hn+ + H2 → hν CDm-1 Hn+1+ +HD have been applied for these species. As this scheme is not applicable to CH3+, the latter has been tagged with He and subsequently dissociated by the IR beam. For the resulting CH3+ -He spectrum, broad features are observed below 1000 cm-1 possibly related to vibrational motions involving the He atom. The extracted vibrational band positions for all species are compared to results from high-level quantum-chemical calculations.

  2. Frequency weighting derived from power absorption of fingers-hand-arm system under z(h)-axis vibration.

    PubMed

    Dong, Ren G; Welcome, Daniel E; McDowell, Thomas W; Wu, John Z; Schopper, Aaron W

    2006-01-01

    The objectives of this study are to derive the frequency weighting from three vibration power absorption (VPA) methods (finger VPA, palm VPA, and total or hand VPA), and to explore whether these energy methods are better than the currently accepted acceleration method. To calculate the VPA weightings, the mechanical impedance of eight subjects exposed to a broadband random vibration spectrum in the z(h)-axis using 18 combinations of hand couplings and applied forces was measured. The VPA weightings were compared with the frequency weighting specified in ISO 5349-1 [2001. Mechanical Vibration--Measurement and Evaluation of Human Exposure to Hand--Transmitted Vibration--Part 1: General Requirements. International Organization for Standardization, Geneva, Switzerland]. This study found that the hand and palm VPA weightings are very similar to the ISO weighting but the finger VPA weighting for the combined grip and push action is much higher than the ISO weighting at frequencies higher than 25 Hz. Therefore, this study predicted that the total power absorption of the entire hand-arm system is likely to be correlated with psychophysical response or subjective sensation. However, if the ISO weighting method cannot yield good predictions of the vibration-induced disorders in the fingers and hand, the hand and palm energy methods are unlikely to yield significantly better predictions. The finger VPA is a vibration measure between unweighted and ISO weighted accelerations. The palm VPA method may have some value for studying the disorders in the wrist-arm system.

  3. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure

    NASA Astrophysics Data System (ADS)

    Dimitrić Marković, Jasmina M.; Marković, Zoran S.; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm -1 wavenumber region. This region involves a combination of the C dbnd O, C2 dbnd C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm -1 range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm -1 is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy.

  4. Low-frequency magnetic sensing by magnetoelectric metglas/bidomain LiNbO3 long bars

    NASA Astrophysics Data System (ADS)

    Turutin, Andrei V.; Vidal, João V.; Kubasov, Ilya V.; Kislyuk, Alexander M.; Malinkovich, Mikhail D.; Parkhomenko, Yurii N.; Kobeleva, Svetlana P.; Kholkin, Andrei L.; Sobolev, Nikolai A.

    2018-05-01

    We present an investigation into the magnetic sensing performance of magnetoelectric bilayered metglas/bidomain LiNbO3 long thin bars operating in a cantilever or free vibrating regime and under quasi-static and low-frequency resonant conditions. Bidomain single crystals of Y  +  128°-cut LiNbO3 were engineered by an improved diffusion annealing technique with a polarization macrodomain structure of the ‘head-to-head’ and ‘tail-to-tail’ type. Long composite bars with lengths of 30, 40 and 45 mm, as well as with and without attached small tip proof masses, were studied. ME coefficients as large as 550 V (cm · Oe)‑1, corresponding to a conversion ratio of 27.5 V Oe‑1, were obtained under resonance conditions at frequencies of the order of 100 Hz in magnetic bias fields as low as 2 Oe. Equivalent magnetic noise spectral densities down to 120 pT Hz‑1/2 at 10 Hz and to 68 pT Hz‑1/2 at a resonance frequency as low as 81 Hz were obtained for the 45 mm long cantilever bar with a tip proof mass of 1.2 g. In the same composite without any added mass the magnetic noise was shown to be as low as 37 pT Hz‑1/2 at a resonance frequency of 244 Hz and 1.2 pT Hz‑1/2 at 1335 Hz in a fixed cantilever and free vibrating regimes, respectively. A simple unidimensional dynamic model predicted the possibility to drop the low-frequency magnetic noise by more than one order of magnitude in case all the extrinsic noise sources are suppressed, especially those related to external vibrations, and the thickness ratio of the magnetic-to-piezoelectric phases is optimized. Thus, we have shown that such systems might find use in simple and sensitive room-temperature low-frequency magnetic sensors, e.g. for biomedical applications.

  5. Wide operation frequency band magnetostrictive vibration power generator using nonlinear spring constant by permanent magnet

    NASA Astrophysics Data System (ADS)

    Furumachi, S.; Ueno, T.

    2016-04-01

    We study magnetostrictive vibration based power generator using iron-gallium alloy (Galfenol). The generator is advantages over conventional, such as piezoelectric material in the point of high efficiency highly robust and low electrical impedance. Generally, the generator exhibits maximum power when its resonant frequency matches the frequency of ambient vibration. In other words, the mismatch of these frequencies results in significant decrease of the output. One solution is making the spring characteristics nonlinear using magnetic force, which distorts the resonant peak toward higher or lower frequency side. In this paper, vibrational generator consisting of Galfenol plate of 6 by 0.5 by 13 mm wound with coil and U shape-frame accompanied with plates and pair of permanent magnets was investigated. The experimental results show that lean of resonant peak appears attributed on the non-linear spring characteristics, and half bandwidth with magnets is 1.2 times larger than that without. It was also demonstrated that the addition of proof mass is effective to increase the sensitivity but also the bandwidth. The generator with generating power of sub mW order is useful for power source of wireless heath monitoring for bridge and factory machine.

  6. Peculiarities of the Third Natural Frequency Vibrations of a Cantilever for the Improvement of Energy Harvesting

    PubMed Central

    Ostasevicius, Vytautas; Janusas, Giedrius; Milasauskaite, Ieva; Zilys, Mindaugas; Kizauskiene, Laura

    2015-01-01

    This paper focuses on several aspects extending the dynamical efficiency of a cantilever beam vibrating in the third mode. A few ways of producing this mode stimulation, namely vibro-impact or forced excitation, as well as its application for energy harvesting devices are proposed. The paper presents numerical and experimental analyses of novel structural dynamics effects along with an optimal configuration of the cantilever beam. The peculiarities of a cantilever beam vibrating in the third mode are related to the significant increase of the level of deformations capable of extracting significant additional amounts of energy compared to the conventional harvester vibrating in the first mode. Two types of a piezoelectric vibrating energy harvester (PVEH) prototype are analysed in this paper: the first one without electrode segmentation, while the second is segmented using electrode segmentation at the strain nodes of the third vibration mode to achieve effective operation at the third resonant frequency. The results of this research revealed that the voltage generated by any segment of the segmented PVEH prototype excited at the third resonant frequency demonstrated a 3.4–4.8-fold increase in comparison with the non-segmented prototype. Simultaneously, the efficiency of the energy harvester prototype also increased at lower resonant frequencies from 16% to 90%. The insights presented in the paper may serve for the development and fabrication of advanced piezoelectric energy harvesters which would be able to generate a considerably increased amount of electrical energy independently of the frequency of kinematical excitation. PMID:26029948

  7. Site-Specific Transmission of a Floor-Based, High-Frequency, Low-Magnitude Vibration Stimulus in Children With Spastic Cerebral Palsy.

    PubMed

    Singh, Harshvardhan; Whitney, Daniel G; Knight, Christopher A; Miller, Freeman; Manal, Kurt; Kolm, Paul; Modlesky, Christopher M

    2016-02-01

    To determine the degree to which a high-frequency, low-magnitude vibration signal emitted by a floor-based platform transmits to the distal tibia and distal femur of children with spastic cerebral palsy (CP) during standing. Cross-sectional study. University research laboratory. Children with spastic CP who could stand independently (n=18) and typically developing children (n=10) (age range, 4-12y) participated in the study (N=28). Not applicable. The vibration signal at the high-frequency, low-magnitude vibration platform (approximately 33Hz and 0.3g), distal tibia, and distal femur was measured using accelerometers. The degree of plantar flexor spasticity was assessed using the Modified Ashworth Scale. The high-frequency, low-magnitude vibration signal was greater (P<.001) at the distal tibia than at the platform in children with CP (.36±.06g vs .29±.05g) and controls (.40±.09g vs .24±.07g). Although the vibration signal was also higher at the distal femur (.35±.09g, P<.001) than at the platform in controls, it was lower in children with CP (.20±.07g, P<.001). The degree of spasticity was negatively related to the vibration signal transmitted to the distal tibia (Spearman ρ=-.547) and distal femur (Spearman ρ=-.566) in children with CP (both P<.05). A high-frequency, low-magnitude vibration signal from a floor-based platform was amplified at the distal tibia, attenuated at the distal femur, and inversely related to the degree of muscle spasticity in children with spastic CP. Whether this transmission pattern affects the adaptation of the bones of children with CP to high-frequency, low-magnitude vibration requires further investigation. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

  8. Effect of source frequency and pulsing on the SiO2 etching characteristics of dual-frequency capacitive coupled plasma

    NASA Astrophysics Data System (ADS)

    Kim, Hoe Jun; Jeon, Min Hwan; Mishra, Anurag Kumar; Kim, In Jun; Sin, Tae Ho; Yeom, Geun Young

    2015-01-01

    A SiO2 layer masked with an amorphous carbon layer (ACL) has been etched in an Ar/C4F8 gas mixture with dual frequency capacitively coupled plasmas under variable frequency (13.56-60 MHz)/pulsed rf source power and 2 MHz continuous wave (CW) rf bias power, the effects of the frequency and pulsing of the source rf power on the SiO2 etch characteristics were investigated. By pulsing the rf power, an increased SiO2 etch selectivity was observed with decreasing SiO2 etch rate. However, when the rf power frequency was increased, not only a higher SiO2 etch rate but also higher SiO2 etch selectivity was observed for both CW and pulse modes. A higher CF2/F ratio and lower electron temperature were observed for both a higher source frequency mode and a pulsed plasma mode. Therefore, when the C 1s binding states of the etched SiO2 surfaces were investigated using X-ray photoelectron spectroscopy (XPS), the increase of C-Fx bonding on the SiO2 surface was observed for a higher source frequency operation similar to a pulsed plasma condition indicating the increase of SiO2 etch selectivity over the ACL. The increase of the SiO2 etch rate with increasing etch selectivity for the higher source frequency operation appears to be related to the increase of the total plasma density with increasing CF2/F ratio in the plasma. The SiO2 etch profile was also improved not only by using the pulsed plasma but also by increasing the source frequency.

  9. A hybrid single-end-access MZI and Φ-OTDR vibration sensing system with high frequency response

    NASA Astrophysics Data System (ADS)

    Zhang, Yixin; Xia, Lan; Cao, Chunqi; Sun, Zhenhong; Li, Yanting; Zhang, Xuping

    2017-01-01

    A hybrid single-end-access Mach-Zehnder interferometer (MZI) and phase sensitive OTDR (Φ-OTDR) vibration sensing system is proposed and demonstrated experimentally. In our system, the narrow optical pulses and the continuous wave are injected into the fiber through the front end of the fiber at the same time. And at the rear end of the fiber, a frequency-shift-mirror (FSM) is designed to back propagate the continuous wave modulated by the external vibration. Thus the Rayleigh backscattering signals (RBS) and the back propagated continuous wave interfere with the reference light at the same end of the sensing fiber and a single-end-access configuration is achieved. The RBS can be successfully separated from the interference signal (IS) through digital signal process due to their different intermediate frequency based on frequency division multiplexing technique. There is no influence between these two schemes. The experimental results show 10 m spatial resolution and up to 1.2 MHz frequency response along a 6.35 km long fiber. This newly designed single-end-access setup can achieve vibration events locating and high frequency events response, which can be widely used in health monitoring for civil infrastructures and transportation.

  10. A Vibrational Spectral Maker for Probing the Hydrogen-Bonding Status of Protonated Asp and Glu Residues

    PubMed Central

    Nie, Beining; Stutzman, Jerrod; Xie, Aihua

    2005-01-01

    Hydrogen bonding is a fundamental element in protein structure and function. Breaking a single hydrogen bond may impair the stability of a protein. We report an infrared vibrational spectral marker for probing the hydrogen-bond number for buried, protonated Asp or Glu residues in proteins. Ab initio computational studies were performed on hydrogen-bonding interactions of a COOH group with a variety of side-chain model compounds of polar and charged amino acids in vacuum using density function theory. For hydrogen-bonding interactions with polar side-chain groups, our results show a strong correlation between the C=O stretching frequency and the hydrogen bond number of a COOH group: ∼1759–1776 cm−1 for zero, ∼1733–1749 cm−1 for one, and 1703–1710 cm−1 for two hydrogen bonds. Experimental evidence for this correlation will be discussed. In addition, we show an approximate linear correlation between the C=O stretching frequency and the hydrogen-bond strength. We propose that a two-dimensional infrared spectroscopy, C=O stretching versus O-H stretching, may be employed to identify the specific type of hydrogen-bonding interaction. This vibrational spectral marker for hydrogen-bonding interaction is expected to enhance the power of time-resolved Fourier transform infrared spectroscopy for structural characterization of functionally important intermediates of proteins. PMID:15653739

  11. Non-linear vibrational response of Ge and SiC membranes

    NASA Astrophysics Data System (ADS)

    Zhou, L. Q.; Colston, G.; Pearce, M. J.; Prince, R. G.; Myronov, M.; Leadley, D. R.; Trushkevych, O.; Edwards, R. S.

    2017-07-01

    Characterisation of membranes produced for use as micro-electro-mechanical systems using vibrational techniques can give a measure of their behaviour and suitability for operation in different environments. Two membranes are studied here: germanium (Ge) and cubic silicon carbide (3C-SiC) on a silicon (Si) substrate. When driven at higher displacements, the membranes exhibit self-protecting behaviour. The resonant vibration amplitude is limited to a maximum value of around 10 nm, through dissipation of energy via higher harmonic vibrations. This is observed for both materials, despite their different Young's moduli and defect densities.

  12. Combined Amplitude and Frequency Measurements for Non-Contacting Turbomachinery Blade Vibration

    NASA Technical Reports Server (NTRS)

    Jagodnik, John J. (Inventor); Platt, Michael J. (Inventor)

    2013-01-01

    A method and apparatus for measuring the vibration of rotating blades, such as turbines, compressors, fans, or pumps, including sensing the return signal from projected energy and/or field changes from a plurality of sensors mounted on the machine housing. One or more of the sensors has a narrow field of measurement and the data is processed to provide the referenced time of arrival of each blade, and therefore the blade tip deflection due to vibration. One or more of the sensors has a wide field of measurement, providing a time history of the approaching and receding blades, and the data is processed to provide frequency content and relative magnitudes of the active mode(s) of blade vibration. By combining the overall tip deflection magnitude with the relative magnitudes of the active modes, the total vibratory stress state of the blade can be determined.

  13. Effect of low-magnitude, high-frequency vibration on osteocytes in the regulation of osteoclasts

    PubMed Central

    Lau, Esther; Al-Dujaili, Saja; Guenther, Axel; Liu, Dawei; Wang, Liyun; You, Lidan

    2010-01-01

    Osteocytes are well evidenced to be the major mechanosensor in bone, responsible for sending signals to the effector cells (osteoblasts and osteoclasts) that carry out bone formation and resorption. Consistent with this hypothesis, it has been shown that osteocytes release various soluble factors (e.g. transforming growth factor-β, nitric oxide, and prostaglandins) that influence osteoblastic and osteoclastic activities when subjected to a variety of mechanical stimuli, including fluid flow, hydrostatic pressure, and mechanical stretching. Recently, low-magnitude, high-frequency (LMHF) vibration (e.g., acceleration less than <1g, where g=9.98 m/s2, at 20-90 Hz) has gained much interest as studies have shown that such mechanical stimulation can positively influence skeletal homeostasis in animals and humans. Although the anabolic and anti-resorptive potential of LMHF vibration is becoming apparent, the signaling pathways that mediate bone adaptation to LMHF vibration are unknown. We hypothesize that osteocytes are the mechanosensor responsible for detecting the vibration stimulation and producing soluble factors that modulate the activity of effector cells. Hence, we applied low-magnitude (0.3g) vibrations to osteocyte-like MLO-Y4 cells at various frequencies (30, 60, 90 Hz) for 1 hour. We found that osteocytes were sensitive to this vibration stimulus at the transcriptional level: COX-2 maximally increased by 344% at 90 Hz, while RANKL decreased most significantly (-55%, p<0.01) at 60 Hz. Conditioned medium collected from the vibrated MLO-Y4 cells attenuated the formation of large osteoclasts (≥10 nuclei) by 36% (p<0.05) and the amount of osteoclastic resorption by 20% (p=0.07). The amount of soluble RANKL (sRANKL) in the conditioned medium was found to be 53% lower in the vibrated group (p<0.01), while PGE2 release was also significantly decreased (-61%, p<0.01). We conclude that osteocytes are able to sense LMHF vibration and respond by producing soluble

  14. VIBRATION COMPACTION

    DOEpatents

    Hauth, J.J.

    1962-07-01

    A method of compacting a powder in a metal container is described including the steps of vibrating the container at above and below the resonant frequency and also sweeping the frequency of vibration across the resonant frequency several times thereby following the change in resonant frequency caused by compaction of the powder. (AEC)

  15. Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses

    NASA Astrophysics Data System (ADS)

    Kubicki, J. D.; Sykes, D. G.

    2004-10-01

    Ab initio, molecular orbital (MO) calculations were performed on model systems of SiO 2, NaAlSi 3O 8 (albite), H 2O-SiO 2 and H 2O-NaAlSi 3O 8 glasses. Model nuclear magnetic resonance (NMR) isotropic chemical shifts (δ iso) for 1H, 17O, 27Al and 29Si are consistent with experimental data for the SiO 2, NaAlSi 3O 8, H 2O-SiO 2 systems where structural interpretations of the NMR peak assignments are accepted. For H 2O-NaSi 3AlO 8 glass, controversy has surrounded the interpretation of NMR and infrared (IR) spectra. Calculated δ iso1H, δ iso17O, δ iso27Al and δ iso29Si are consistent with the interpretation of Kohn et al. (1992) that Si-(OH)-Al linkages are responsible for the observed peaks in hydrous Na-aluminosilicate glasses. In addition, a theoretical vibrational frequency associated with the Kohn et al. (1992) model agrees well with the observed shoulder near 900 cm -1 in the IR and Raman spectra of hydrous albite glasses. MO calculations suggest that breaking this Si-(OH)-Al linkage requires ˜+56 to +82 kJ/mol which is comparable to the activation energies for viscous flow in hydrous aluminosilicate melts.

  16. The vibrational spectrum of H2O3: An ab initio investigation

    NASA Technical Reports Server (NTRS)

    Jackels, Charles F.

    1991-01-01

    Theoretically determined frequencies and absorption intensities are reported for the vibrational spectrum of the covalent HOOOH and hydrogen bonded HO---HOO intermediates that may form in the reaction of the hydroxyl and hydroperoxyl radicals. Basis sets of DZP quality, augmented by diffuse and second sets of polarization functions have been used with CASSCF wave functions. The calculated harmonic vibrational frequencies of HOOOH have been corrected with empirical factors and presented in the form of a 'stick' spectrum. The oxygen backbone vibrations, predicted to occur at 519, 760, and 870 cm(exp -1), are well separated from most interferences, and may be the most useful for the species' identification. In the case of the hydrogen bonded isomer, emphasis has been placed upon prediction of the shifts in the intramolecular vibrational frequencies that take place upon formation of the complex. In particular, the HO stretch and HOO bend of HO2 are predicted to have shifts of -59 and 53 cm(exp -1), respectively, which should facilitate their identification. It is also noted that the antisymmetric stretching frequency of the oxygen backbone in HOOOH exhibits a strong sensitivity to the degree of electron correlation, such as has been previously observed for the same mode in ozone.

  17. Whole Body Vibration at Different Exposure Frequencies: Infrared Thermography and Physiological Effects

    PubMed Central

    Sonza, Anelise; Robinson, Caroline C.; Achaval, Matilde; Zaro, Milton A.

    2015-01-01

    The aim of this study was to investigate the effects of whole body vibration (WBV) on physiological parameters, cutaneous temperature, tactile sensitivity, and balance. Twenty-four healthy adults (25.3 ± 2.6 years) participated in four WBV sessions. They spent 15 minutes on a vibration platform in the vertical mode at four different frequencies (31, 35, 40, and 44 Hz) with 1 mm of amplitude. All variables were measured before and after WBV exposure. Pressure sensation in five anatomical regions and both feet was determined using Von Frey monofilaments. Postural sway was measured using a force plate. Cutaneous temperature was obtained with an infrared camera. WBV influences the discharge of the skin touch-pressure receptors, decreasing sensitivity at all measured frequencies and foot regions (P ≤ 0.05). Regarding balance, no differences were found after 20 minutes of WBV at frequencies of 31 and 35 Hz. At 40 and 44 Hz, participants showed higher anterior-posterior center of pressure (COP) velocity and length. The cutaneous temperature of the lower limbs decreased during and 10 minutes after WBV. WBV decreases touch-pressure sensitivity at all measured frequencies 10 min after exposure. This may be related to the impaired balance at higher frequencies since these variables have a role in maintaining postural stability. Vasoconstriction might explain the decreased lower limb temperature. PMID:25664338

  18. Amplitude-cyclic frequency decomposition of vibration signals for bearing fault diagnosis based on phase editing

    NASA Astrophysics Data System (ADS)

    Barbini, L.; Eltabach, M.; Hillis, A. J.; du Bois, J. L.

    2018-03-01

    In rotating machine diagnosis different spectral tools are used to analyse vibration signals. Despite the good diagnostic performance such tools are usually refined, computationally complex to implement and require oversight of an expert user. This paper introduces an intuitive and easy to implement method for vibration analysis: amplitude cyclic frequency decomposition. This method firstly separates vibration signals accordingly to their spectral amplitudes and secondly uses the squared envelope spectrum to reveal the presence of cyclostationarity in each amplitude level. The intuitive idea is that in a rotating machine different components contribute vibrations at different amplitudes, for instance defective bearings contribute a very weak signal in contrast to gears. This paper also introduces a new quantity, the decomposition squared envelope spectrum, which enables separation between the components of a rotating machine. The amplitude cyclic frequency decomposition and the decomposition squared envelope spectrum are tested on real word signals, both at stationary and varying speeds, using data from a wind turbine gearbox and an aircraft engine. In addition a benchmark comparison to the spectral correlation method is presented.

  19. An efficient low frequency horizontal diamagnetic levitation mechanism based vibration energy harvester

    NASA Astrophysics Data System (ADS)

    Palagummi, S.; Yuan, F. G.

    2016-04-01

    This article identifies and studies key parameters that characterize a horizontal diamagnetic levitation (HDL) mechanism based low frequency vibration energy harvester with the aim of enhancing performance metrics such as efficiency and volume figure of merit (FoMv). The HDL mechanism comprises of three permanent magnets and two diamagnetic plates. Two of the magnets, aka lifting magnets, are placed co-axially at a distance such that each attract a centrally located magnet, aka floating magnet, to balance its weight. This floating magnet is flanked closely by two diamagnetic plates which stabilize the levitation in the axial direction. The influence of the geometry of the floating magnet, the lifting magnet and the diamagnetic plate are parametrically studied to quantify their effects on the size, stability of the levitation mechanism and the resonant frequency of the floating magnet. For vibration energy harvesting using the HDL mechanism, a coil geometry and eddy current damping are critically discussed. Based on the analysis, an efficient experimental system is setup which showed a softening frequency response with an average system efficiency of 25.8% and a FoMv of 0.23% when excited at a root mean square acceleration of 0.0546 m/s2 and at frequency of 1.9 Hz.

  20. Ab initio calculations of anharmonic vibrational spectroscopy for hydrogen fluoride (HF)n (n = 3, 4) and mixed hydrogen fluoride/water (HF)n(H2O)n (n = 1, 2, 4) clusters

    NASA Technical Reports Server (NTRS)

    Chaban, Galina M.; Gerber, R. Benny

    2002-01-01

    Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n, with n = 3, 4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n = 1, 2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the Moller-Plesset (MP2) potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments.

  1. Spatial hearing in Cope's gray treefrog: II. Frequency-dependent directionality in the amplitude and phase of tympanum vibrations.

    PubMed

    Caldwell, Michael S; Lee, Norman; Schrode, Katrina M; Johns, Anastasia R; Christensen-Dalsgaard, Jakob; Bee, Mark A

    2014-04-01

    Anuran ears function as pressure difference receivers, and the amplitude and phase of tympanum vibrations are inherently directional, varying with sound incident angle. We quantified the nature of this directionality for Cope's gray treefrog, Hyla chrysoscelis. We presented subjects with pure tones, advertisement calls, and frequency-modulated sweeps to examine the influence of frequency, signal level, lung inflation, and sex on ear directionality. Interaural differences in the amplitude of tympanum vibrations were 1-4 dB greater than sound pressure differences adjacent to the two tympana, while interaural differences in the phase of tympanum vibration were similar to or smaller than those in sound phase. Directionality in the amplitude and phase of tympanum vibration were highly dependent on sound frequency, and directionality in amplitude varied slightly with signal level. Directionality in the amplitude and phase of tone- and call-evoked responses did not differ between sexes. Lung inflation strongly affected tympanum directionality over a narrow frequency range that, in females, included call frequencies. This study provides a foundation for further work on the biomechanics and neural mechanisms of spatial hearing in H. chrysoscelis, and lends valuable perspective to behavioral studies on the use of spatial information by this species and other frogs.

  2. 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.

  3. 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.

  4. 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

  5. A Novel Well Drill Assisted with High-Frequency Vibration Using the Bending Mode

    PubMed Central

    Qi, Xinda; Chen, Weishan; Tang, Xintian; Shi, Shengjun

    2018-01-01

    It is important for companies to increase the efficiency of drilling as well as prolong the lifetime of the drilling tool. Since some previous investigations indicated that a superposition of well drilling with an additional vibration increases the drilling efficiency, this paper introduces a novel well drill which is assisted with additional vibrations by means of piezoelectric sandwich bending vibration transducer. The proposed drill uses bending vibrations in two different directions to from an elliptical trajectory movement, which can help the drill to break the surface of hard material more efficiently and clean away the lithic fragments more easily. The proposed well drill with bending vibration transducer is designed to have a resonance frequency of the first bending vibration mode of about 1779 Hz. The motion equation of the particle on the edge of the drill bit is developed and analyzed. The vibration trajectory of the particle on the edge of the drill bit is calculated by using finite element method. A prototype of the proposed drill using bending vibrations is fabricated and tested to verify the aim of drilling efficiency increase. The feed speed of the vibration assisted drilling is tested to be about 0.296 mm/s when the excitation voltage of the transducer is 300 V, while this speed decreases to about 0.195 mm/s when no vibration is added. This comparison shows that the feed speed of the vibration assisted drilling is about 52% higher than that of the normal drilling, which means the proposed drill has a better efficiency and it is important to consider vibration superimposition in well drilling. In addition, the surface of the drill hole gained by the vibration assisted drilling is smoother than that of the normal drilling, which makes the clearance easier. PMID:29641481

  6. Vibrational assignment of aluminum(III) Tris-acetylacetone

    NASA Astrophysics Data System (ADS)

    Tayyari, Sayyed Faramarz; Raissi, Haydar; Ahmadabadi, Zahra

    2002-10-01

    The geometry, frequency and intensity of the vibrational bands of aluminum(III) Tris-acetylacetone Al(AA) 3 and its 1, 3, 5- 13C derivative were obtained by the Hartree-Fock (HF) and Density Functional Theory (DFT) with the B3LYP, B1LYP, and G96LYP functionals and using the 6-31G* basis set. The calculated frequencies are compared with the solid IR and Raman spectra. All of the measured IR and Raman bands were interpreted in terms of the calculated vibrational modes. Most computed bands are predicted to be at higher wavenumbers than the experimental bands. The calculated bond lengths and bond angles are in good agreement with the experimental results. Analysis of the vibrational spectra indicates a strong coupling between the chelated ring modes. Four bands in the 500-390 cm -1 frequency range are assigned to the vibrations of metalligand bonds.

  7. Franck-Condon fingerprinting of vibration-tunneling spectra.

    PubMed

    Berrios, Eduardo; Sundaradevan, Praveen; Gruebele, Martin

    2013-08-15

    We introduce Franck-Condon fingerprinting as a method for assigning complex vibration-tunneling spectra. The B̃ state of thiophosgene (SCCl2) serves as our prototype. Despite several attempts, assignment of its excitation spectrum has proved difficult because of near-degenerate vibrational frequencies, Fermi resonance between the C-Cl stretching mode and the Cl-C-Cl bending mode, and large tunneling splittings due to the out-of-plane umbrella mode. Hence, the spectrum has never been fitted to an effective Hamiltonian. Our assignment approach replaces precise frequency information with intensity information, eliminating the need for double resonance spectroscopy or combination differences, neither of which have yielded a full assignment thus far. The dispersed fluorescence spectrum of each unknown vibration-tunneling state images its character onto known vibrational progressions in the ground state. By using this Franck-Condon fingerprint, we were able to determine the predominant character of several vibration-tunneling states and assign them; in other cases, the fingerprinting revealed that the states are strongly mixed and cannot be characterized with a simple normal mode assignment. The assigned transitions from vibration-tunneling wave functions that were not too strongly mixed could be fitted within measurement uncertainty by an effective vibration-tunneling Hamiltonian. A fit of all observed vibration-tunneling states will require a full resonance-tunneling Hamiltonian.

  8. Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

    NASA Astrophysics Data System (ADS)

    Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng

    2017-06-01

    In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.

  9. Molecular structure, vibrational spectra, NBO analysis and molecular packing prediction of 3-nitroacetanilide by ab initio HF and density functional theory.

    PubMed

    Li, Xiao-Hong; Li, Tong-Wei; Ju, Wei-Wei; Yong, Yong-Liang; Zhang, Xian-Zhou

    2014-01-24

    Quantum chemical calculations of geometries and vibrational wavenumbers of 3-nitroacetanilide (C8H8N2O3) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-31+G(*) basis set. The -311++G(**) basis set is also used for B3LYP level. The scaled harmonic vibrational frequencies have been compared with experimental FT-IR spectra. Theoretical vibrational spectra of the title compound were interpreted by means of potential energies distributions (PEDs) using MOLVIB program. The theoretical spectrograms for IR spectra of the title compound have been constructed. The shortening of C-H bond length and the elongation of N-H bond length suggest the existence of weak C-H⋯O and N-H⋯O hydrogen bonds, which is confirmed by the natural bond orbital analysis. In addition, the crystal structure obtained by molecular mechanics belongs to the P2(1) space group, with lattice parameters Z=4, a=14.9989 Å, b=4.0367 Å, c=12.9913 Å, ρ=0.998 g cm(-3). Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Vibration mode and vibration shape under excitation of a three phase model transformer core

    NASA Astrophysics Data System (ADS)

    Okabe, Seiji; Ishigaki, Yusuke; Omura, Takeshi

    2018-04-01

    Structural vibration characteristics and vibration shapes under three-phase excitation of a archetype transformer core were investigated to consider their influences on transformer noise. Acoustic noise and vibration behavior were measured in a three-limb model transformer core. Experimental modal analysis by impact test was performed. The vibration shapes were measured by a laser scanning vibrometer at different exciting frequencies. Vibration amplitude of the core in out-of-plane direction were relatively larger than those in other two in-plane directions. It was consistent with the result that the frequency response function of the core in out-of-plane direction was larger by about 20 dB or more than those in in-plane directions. There were many vibration modes having bending deformation of limbs in out-of-plane direction. The vibration shapes of the core when excited at 50 Hz and 60 Hz were almost the same because the fundamental frequencies of the vibration were not close to the resonance frequencies. When excitation frequency was 69 Hz which was half of one of the resonance frequencies, the vibration shape changed to the one similar to the resonance vibration mode. Existence of many vibration modes in out-of-plane direction of the core was presumed to be a reason why frequency characteristics of magnetostriction and transformer noise do not coincide.

  11. Application of comparative vibrational spectroscopic and mechanistic studies in analysis of fisetin structure.

    PubMed

    Dimitrić Marković, Jasmina M; Marković, Zoran S; Milenković, Dejan; Jeremić, Svetlana

    2011-12-01

    This paper addresses experimental and theoretical research in fisetin (2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one) structure by means of experimental IR and Raman spectroscopies and mechanistic calculations. Density Functional Theory calculations, with M05-2X functional and the 6-311+G (2df, p) basis set implemented in the Gaussian 09 package, are performed with the aim to support molecular structure, vibrational bands' positions and their intensities. Potential energy distribution (PED) values and the description of the largest vibrational contributions to the normal modes are calculated. The most intense bands appear in the 1650-1500 cm(-1) wavenumber region. This region involves a combination of the CO, C2C3 and C-C stretching vibrational modes. Most of the bands in the 1500-1000 cm(-1) range involve C-C stretching, O-C stretching and in-plane C-C-H, C-O-H, C-C-O and C-C-C bending vibrations of the rings. The region below 1000 cm(-1) is characteristic to the combination of in plane C-C-C-H, H-C-C-H, C-C-C-C, C-C-O-C and out of plane O-C-C-C, C-C-O-C, C-C-C-C torsional modes. The Raman spectra of baicalein and quercetin were used for qualitative comparison with fisetin spectrum and verification of band assignments. The applied detailed vibrational spectral analysis and the assignments of the bands, proposed on the basis of fundamentals, reproduced the experimental results with high degree of accuracy. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Vibration Sensor Data Denoising Using a Time-Frequency Manifold for Machinery Fault Diagnosis

    PubMed Central

    He, Qingbo; Wang, Xiangxiang; Zhou, Qiang

    2014-01-01

    Vibration sensor data from a mechanical system are often associated with important measurement information useful for machinery fault diagnosis. However, in practice the existence of background noise makes it difficult to identify the fault signature from the sensing data. This paper introduces the time-frequency manifold (TFM) concept into sensor data denoising and proposes a novel denoising method for reliable machinery fault diagnosis. The TFM signature reflects the intrinsic time-frequency structure of a non-stationary signal. The proposed method intends to realize data denoising by synthesizing the TFM using time-frequency synthesis and phase space reconstruction (PSR) synthesis. Due to the merits of the TFM in noise suppression and resolution enhancement, the denoised signal would have satisfactory denoising effects, as well as inherent time-frequency structure keeping. Moreover, this paper presents a clustering-based statistical parameter to evaluate the proposed method, and also presents a new diagnostic approach, called frequency probability time series (FPTS) spectral analysis, to show its effectiveness in fault diagnosis. The proposed TFM-based data denoising method has been employed to deal with a set of vibration sensor data from defective bearings, and the results verify that for machinery fault diagnosis the method is superior to two traditional denoising methods. PMID:24379045

  13. Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis.

    PubMed

    Treesuwan, Witcha; Hirao, Hajime; Morokuma, Keiji; Hannongbua, Supa

    2012-05-01

    As the mechanism underlying the sense of smell is unclear, different models have been used to rationalize structure-odor relationships. To gain insight into odorant molecules from bread baking, binding energies and vibration spectra in the gas phase and in the protein environment [7-transmembrane helices (7TMHs) of rhodopsin] were calculated using density functional theory [B3LYP/6-311++G(d,p)] and ONIOM [B3LYP/6-311++G(d,p):PM3] methods. It was found that acetaldehyde ("acid" category) binds strongly in the large cavity inside the receptor, whereas 2-ethyl-3-methylpyrazine ("roasted") binds weakly. Lys296, Tyr268, Thr118 and Ala117 were identified as key residues in the binding site. More emphasis was placed on how vibrational frequencies are shifted and intensities modified in the receptor protein environment. Principal component analysis (PCA) suggested that the frequency shifts of C-C stretching, CH(3) umbrella, C = O stretching and CH(3) stretching modes have a significant effect on odor quality. In fact, the frequency shifts of the C-C stretching and C = O stretching modes, as well as CH(3) umbrella and CH(3) symmetric stretching modes, exhibit different behaviors in the PCA loadings plot. A large frequency shift in the CH(3) symmetric stretching mode is associated with the sweet-roasted odor category and separates this from the acid odor category. A large frequency shift of the C-C stretching mode describes the roasted and oily-popcorn odor categories, and separates these from the buttery and acid odor categories.

  14. Detection of C-13O radio emission from C-13-rich carbon stars

    NASA Technical Reports Server (NTRS)

    Jura, M.; Kahane, C.; Omont, A.

    1988-01-01

    A high ratio of C-13O radio emission in the J = 1-0 rotational line has been detected from three mass-losing carbon stars which optical data indicate have high C-13/C12 ratios. Since chemical fractionation, isotope-dependent photodissociation and opacity in the rotational and vibrational lines may not raise significantly the C-13O ratio above the actual C-13/C-12 ratio in these circumstellar envelopes, the relative abundance of C-13 in these stars might be even greater by perhaps a factor of two than previously believed. About 15 percent of all luminous carbon stars are C-13-rich, and these stars may play a significant role in the enhancement in the C-13/C12 ratio that has occurred during the past 4.6 billion years since the formation of the sun.

  15. Fourier Transform Spectroscopy of Carbonyl Sulfide from 4800 to 8000 cm -1and New Global Analysis of 16O 12C 32S

    NASA Astrophysics Data System (ADS)

    Rbaihi, E.; Belafhal, A.; Vander Auwera, J.; Naı̈m, S.; Fayt, A.

    1998-09-01

    We have measured the FT spectrum of natural OCS from 4800 to 8000 cm-1with a near Doppler resolution and a line-position accuracy between 2 and 8 × 10-4cm-1. For the normal isotopic species16O12C32S, 37 vibrational transitions have been analyzed for both frequencies and intensities. We also report six bands of16O12C34S, five bands of16O13C32S, two bands of16O12C33S, and two bands of18O12C32S. Important effective Herman-Wallis terms are explained by the anharmonic resonances between closely spaced states. As those results complete the study of the Fourier transform spectra of natural carbonyl sulfide from 1800 to 8000 cm-1, a new global rovibrational analysis of16O12C32S has been performed. We have determined a set of 148 molecular parameters, and a statistical agreement is obtained with all the available experimental data.

  16. 49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Procedure for Base-level Vibration Testing C Appendix C to Part 173 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three...

  17. 49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Procedure for Base-level Vibration Testing C Appendix C to Part 173 Transportation Other Regulations Relating to Transportation PIPELINE AND HAZARDOUS... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three...

  18. Solvent induced conformational fluctuation of alanine dipeptide studied by using vibrational probes

    NASA Astrophysics Data System (ADS)

    Cai, Kaicong; Du, Fenfen; Liu, Jia; Su, Tingting

    2015-02-01

    The solvation effect on the three dimensional structure and the vibrational feature of alanine dipeptide (ALAD) was evaluated by applying the implicit solvents from polarizable continuum solvent model (PCM) through ab initio calculations, by using molecular dynamic (MD) simulations with explicit solvents, and by combining these two approaches. The implicit solvent induced potential energy fluctuations of ALAD in CHCl3, DMSO and H2O are revealed by means of ab initio calculations, and a global view of conformational and solvation environmental dependence of amide I frequencies is achieved. The results from MD simulations with explicit solvents show that ALAD trends to form PPII, αL, αR, and C5 in water, PPII and C5 in DMSO, and C5 in CHCl3, ordered by population, and the demonstration of the solvated structure, the solute-solvent interaction and hydrogen bonding is therefore enhanced. Representative ALAD-solvent clusters were sampled from MD trajectories and undergone ab initio calculations. The explicit solvents reveal the hydrogen bonding between ALAD and solvents, and the correlation between amide I frequencies and the Cdbnd O bond length is built. The implicit solvents applied to the ALAD-solvent clusters further compensate the solvation effect from the bulk, and thus enlarge the degree of structural distortion and the amide I frequency red shift. The combination of explicit solvent in the first hydration shell and implicit solvent in the bulk is helpful for our understanding about the conformational fluctuation of solvated polypeptides through vibrational probes.

  19. Low frequency vibration approach for assessing performance of wood floor systems

    Treesearch

    Xiping Wang; Robert J. Ross; Michael O. Hunt; John R. Erickson; John W. Forsman

    2005-01-01

    The primary means of inspecting buildings and other structures is to evaluate each structure member individually. This is a time-consuming and expensive process, particularly if sheathing or other covering materials must be removed to access the structural members. The objective of this study was to determine if a low frequency vibration method could be used to...

  20. Effect of higher frequency components and duration of vibration on bone tissue alterations in the rat-tail model

    PubMed Central

    PEELUKHANA, Srikara V.; GOENKA, Shilpi; KIM, Brian; KIM, Jay; BHATTACHARYA, Amit; STRINGER, Keith F.; BANERJEE, Rupak K.

    2015-01-01

    To formulate more accurate guidelines for musculoskeletal disorders (MSD) linked to Hand-Arm Vibration Syndrome (HAVS), delineation of the response of bone tissue under different frequencies and duration of vibration needs elucidation. Rat-tails were vibrated at 125 Hz (9 rats) and 250 Hz (9 rats), at 49 m/s2, for 1D (6 rats), 5D (6 rats) and 20D (6 rats); D=days (4 h/d). Rats in the control group (6 rats for the vibration groups; 2 each for 1D, 5D, and 20D) were left in their cages, without being subjected to any vibration. Structural and biochemical damages were quantified using empty lacunae count and nitrotyrosine signal-intensity, respectively. One-way repeated-measure mixed-model ANOVA at p<0.05 level of significance was used for analysis. In the cortical bone, structural damage quantified through empty lacunae count was significant (p<0.05) at 250 Hz (10.82 ± 0.66) in comparison to the control group (7.41 ± 0.76). The biochemical damage was significant (p<0.05) at both the 125 Hz and 250 Hz vibration frequencies. The structural damage was significant (p<0.05) at 5D for cortical bone while the trabecular bone showed significant (p<0.05) damage at 20D time point. Further, the biochemical damage increased with increase in the duration of vibration with a significant (p<0.05) damage observed at 20D time point and a near significant change (p=0.08) observed at 5D time point. Structural and biochemical changes in bone tissue are dependent upon higher vibration frequencies of 125 Hz, 250 Hz and the duration of vibration (5D, 20D). PMID:25843564

  1. The effects of vibration-reducing gloves on finger vibration

    PubMed Central

    Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.

    2015-01-01

    Vibration-reducing (VR) gloves have been used to reduce the hand-transmitted vibration exposures from machines and powered hand tools but their effectiveness remains unclear, especially for finger protection. The objectives of this study are to determine whether VR gloves can attenuate the vibration transmitted to the fingers and to enhance the understanding of the mechanisms of how these gloves work. Seven adult male subjects participated in the experiment. The fixed factors evaluated include hand force (four levels), glove condition (gel-filled, air bladder, no gloves), and location of the finger vibration measurement. A 3-D laser vibrometer was used to measure the vibrations on the fingers with and without wearing a glove on a 3-D hand-arm vibration test system. This study finds that the effect of VR gloves on the finger vibration depends on not only the gloves but also their influence on the distribution of the finger contact stiffness and the grip effort. As a result, the gloves increase the vibration in the fingertip area but marginally reduce the vibration in the proximal area at some frequencies below 100 Hz. On average, the gloves reduce the vibration of the entire fingers by less than 3% at frequencies below 80 Hz but increase at frequencies from 80 to 400 Hz. At higher frequencies, the gel-filled glove is more effective at reducing the finger vibration than the air bladder-filled glove. The implications of these findings are discussed. Relevance to industry Prolonged, intensive exposure to hand-transmitted vibration can cause hand-arm vibration syndrome. Vibration-reducing gloves have been used as an alternative approach to reduce the vibration exposure. However, their effectiveness for reducing finger-transmitted vibrations remains unclear. This study enhanced the understanding of the glove effects on finger vibration and provided useful information on the effectiveness of typical VR gloves at reducing the vibration transmitted to the fingers. The new

  2. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).

    PubMed

    Lau, Kai-Chung; Chang, Yih-Chung; Lam, Chow-Shing; Ng, C Y

    2009-12-31

    The ionization energy (IE) of FeC and the 0 K bond dissociation energies (D(0)) and the heats of formation at 0 K (DeltaH(o)(f0)) and 298 K (DeltaH(o)(f298)) for FeC and FeC(+) are predicted by the single-reference wave function based CCSDTQ(Full)/CBS approach, which involves the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations. The zero-point vibrational energy (ZPVE) correction, the core-valence electronic corrections (up to CCSDT level), spin-orbit couplings, and relativistic effects (up to CCSDTQ level) are included in the calculations. The present calculations provide the correct symmetry predictions for the ground states of FeC and FeC(+) to be (3)Delta and (2)Delta, respectively. We have also examined the theoretical harmonic vibrational frequencies of FeC/FeC(+) at the ROHF-UCCSD(T) and UHF-UCCSD(T) levels. While the UHF-UCCSD(T) harmonic frequencies are in good agreement with the experimental measurements, the ROHF-UCCSD(T) yields significantly higher harmonic frequency predictions for FeC/FeC(+). The CCSDTQ(Full)/CBS IE(FeC) = 7.565 eV is found to compare favorably with the experimental IE value of 7.59318 +/- 0.00006 eV, suggesting that the single-reference-based coupled cluster theory is capable of providing reliable IE prediction for FeC, despite its multireference character. The CCSDTQ(Full)/CBS D(0)(Fe(+)-C) and D(0)(Fe-C) give the prediction of D(0)(Fe(+)-C) - D(0)(Fe-C) = 0.334 eV, which is consistent with the experimental determination of 0.3094 +/- 0.0001 eV. The D(0) calculations also support the experimental D(0)(Fe(+)-C) = 4.1 +/- 0.3 eV and D(0)(Fe-C) = 3.8 +/- 0.3 eV determined by the previous ion photodissociation study. The present calculations also provide the DeltaH(o)(f0)(DeltaH(o)(f298)) predictions for FeC/FeC(+). The analysis of the correction terms in these calculations shows that the core-valence and valence-valence electronic correlations beyond CCSD(T) wave function

  3. A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes

    NASA Astrophysics Data System (ADS)

    Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping

    2018-03-01

    Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)

  4. Application of least mean square algorithm to suppression of maglev track-induced self-excited vibration

    NASA Astrophysics Data System (ADS)

    Zhou, D. F.; Li, J.; Hansen, C. H.

    2011-11-01

    Track-induced self-excited vibration is commonly encountered in EMS (electromagnetic suspension) maglev systems, and a solution to this problem is important in enabling the commercial widespread implementation of maglev systems. Here, the coupled model of the steel track and the magnetic levitation system is developed, and its stability is investigated using the Nyquist criterion. The harmonic balance method is employed to investigate the stability and amplitude of the self-excited vibration, which provides an explanation of the phenomenon that track-induced self-excited vibration generally occurs at a specified amplitude and frequency. To eliminate the self-excited vibration, an improved LMS (Least Mean Square) cancellation algorithm with phase correction (C-LMS) is employed. The harmonic balance analysis shows that the C-LMS cancellation algorithm can completely suppress the self-excited vibration. To achieve adaptive cancellation, a frequency estimator similar to the tuner of a TV receiver is employed to provide the C-LMS algorithm with a roughly estimated reference frequency. Numerical simulation and experiments undertaken on the CMS-04 vehicle show that the proposed adaptive C-LMS algorithm can effectively eliminate the self-excited vibration over a wide frequency range, and that the robustness of the algorithm suggests excellent potential for application to EMS maglev systems.

  5. Three-Dimensional Vibration Isolator for Suppressing High-Frequency Responses for Sage III Contamination Monitoring Package (CMP)

    NASA Technical Reports Server (NTRS)

    Li, Y.; Cutright, S.; Dyke, R.; Templeton, J.; Gasbarre, J.; Novak, F.

    2015-01-01

    The Stratospheric Aerosol and Gas Experiment (SAGE) III - International Space Station (ISS) instrument will be used to study ozone, providing global, long-term measurements of key components of the Earth's atmosphere for the continued health of Earth and its inhabitants. SAGE III is launched into orbit in an inverted configuration on SpaceX;s Falcon 9 launch vehicle. As one of its four supporting elements, a Contamination Monitoring Package (CMP) mounted to the top panel of the Interface Adapter Module (IAM) box experiences high-frequency response due to structural coupling between the two structures during the SpaceX launch. These vibrations, which were initially observed in the IAM Engineering Development Unit (EDU) test and later verified through finite element analysis (FEA) for the SpaceX launch loads, may damage the internal electronic cards and the Thermoelectric Quartz Crystal Microbalance (TQCM) sensors mounted on the CMP. Three-dimensional (3D) vibration isolators were required to be inserted between the CMP and IAM interface in order to attenuate the high frequency vibrations without resulting in any major changes to the existing system. Wire rope isolators were proposed as the isolation system between the CMP and IAM due to the low impact to design. Most 3D isolation systems are designed for compression and roll, therefore little dynamic data was available for using wire rope isolators in an inverted or tension configuration. From the isolator FEA and test results, it is shown that by using the 3D wire rope isolators, the CMP high-frequency responses have been suppressed by several orders of magnitude over a wide excitation frequency range. Consequently, the TQCM sensor responses are well below their qualification environments. It is indicated that these high-frequency responses due to the typical instrument structural coupling can be significantly suppressed by a vibration passive control using the 3D vibration isolator. Thermal and contamination

  6. A structural and vibrational study on the first condensed borosulfate K5[B(SO4)4] by using the FTIR-Raman spectra and DFT calculations

    NASA Astrophysics Data System (ADS)

    Höppe, Henning Alfred; Kazmierczak, Karolina; Romano, Elida; Brandán, Silvia Antonia

    2013-04-01

    The first borosulfate, K5[B(SO4)4] (recently synthesized by Henning A. Höppe, Karolina Kazmierczak, Michael Daub, Katharina Förg, Franziska Fuchs, Harald Hillebrecht, 2012) was characterized by infrared and Raman spectroscopies. Density functional theory (DFT) calculations were used to study the structure and vibrational properties of the compound. Employing the B3P86 and B3LYP levels of theory, the molecular structures of the compound were theoretically determined in gas phase and the harmonic vibrational frequencies were evaluated at the same levels. The calculated harmonic vibrational frequencies for the borosulfate compound are consistent with the experimental IR and Raman spectra. These calculations gave us a precise knowledge of the normal modes of vibration taking into account the type of coordination adopted by sulfate groups of this compound as ligands with C3v and C2v symmetries. A complete assignment of all the observed bands in the IR and Raman spectra for K5[B(SO4)4] was performed. Here, the infrared and Raman spectra of K5[B(SO4)4] were interpreted, discussed and completely assigned. The nature of the Ksbnd O, Ksbnd S, Bsbnd O, and Ssbnd O bonds and the topological properties of the compound were investigated and analyzed by means of Natural Bond Order (NBO) and Bader's Atoms in Molecules theory (AIM), respectively.

  7. The vibration behavior of railway track at high frequencies under multiple preloads and wheel interactions

    PubMed

    Wu; Thompson

    2000-09-01

    The track foundation is preloaded by multiple wheel loads due to the train weight and, as the pad and ballast are nonlinear, their stiffness depends upon the preload in them. Due to the influence of these resilient components of the track, the track vibration is affected by the wheel loads. It is also affected by the wheel/rail interactions. In this article the preloads in the pad and ballast are calculated by considering the nonlinear properties of the track foundation, and thus the preloaded pad and ballast stiffnesses are determined. The vibration properties are explored for the track under multiple wheel loads and multiple wheel/rail interactions by comparing the results from different track models with and without these effects. It is found that the point receptance of the track is reduced and the vibration decay rate is enhanced at low frequencies due to the wheel loads. The effects of the wheel/rail interactions are most significant for frequencies 400-2000 Hz. Because of the wheel/rail interactions, the point receptance fluctuates and the vibration decay is enhanced in the regions around the wheels.

  8. A study of the eigenvectors of low frequency vibrational modes in crystalline cytidine via high pressure Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Scott A.

    2014-03-01

    High-pressure Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the low-frequency vibrational modes of crystalline cytidine at 295 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: 1/ω dω/dP. Crystalline samples of molecular materials such as cytidine have vibrational modes that are localized within a molecular unit (``internal'' modes) as well as modes in which the molecular units vibrate against each other (``external'' modes). The value of the logarithmic derivative is a diagnostic probe of the nature of the eigenvector of the vibrational modes, making high pressure experiments a very useful probe for such studies. Internal stretching modes have low logarithmic derivatives while external as well as internal torsional and bending modes have higher logarithmic derivatives. All of the Raman modes below 200 cm-1 in cytidine are found to have high logarithmic derivatives, consistent with being either external modes or internal torsional or bending modes.

  9. Vibration ride comfort criteria

    NASA Technical Reports Server (NTRS)

    Dempsey, T. K.; Leatherwood, J. D.

    1976-01-01

    Results are presented for an experimental study directed to derive equal vibration discomfort curves, to determine the influence of vibration masking in order to account for the total discomfort of any random vibration, and to develop a scale of total vibration discomfort in the case of human response to whole-body vertical vibration. Discomfort is referred to as a subjective discomfort associated with the acceleration level of a particular frequency band. It is shown that passenger discomfort to whole-body vibration increases linearly with acceleration level for each frequency. Empirical data provide a mechanism for determining the degree of masking (or summation) of the discomfort of multiple frequency vibration. A scale for the prediction of passenger discomfort is developed.

  10. Novel Euler-LaCoste linkage as a very low frequency vertical vibration isolator.

    PubMed

    Hosain, M A; Sirr, A; Ju, L; Blair, D G

    2012-08-01

    LaCoste linkage vibration isolators have shown excellent performance for ultra-low frequency vertical vibration isolation. However, such isolators depend on the use of conventional pre-stressed coil springs, which suffer from creep. Here, we show that compressional Euler springs can be configured to create a stable tension unit for use in a LaCoste structure. In a proof of concept experiment, we demonstrate a vertical resonance frequency of 0.15 Hz in an Euler-LaCoste configuration with 200 mm height. The system enables the use of very low creep maraging steel as spring elements to eliminate the creep while minimising spring mass and reducing the effect of parasitic resonances. Larger scale systems with optimized Euler spring boundary conditions should achieve performance suitable for applications on third generation gravitational wave detectors such as the proposed Einstein telescope.

  11. Hyperfine-resolved transition frequency list of fundamental vibration bands of H35Cl and H37Cl

    NASA Astrophysics Data System (ADS)

    Iwakuni, Kana; Sera, Hideyuki; Abe, Masashi; Sasada, Hiroyuki

    2014-12-01

    Sub-Doppler resolution spectroscopy of the fundamental vibration bands of H35Cl and H37Cl has been carried out from 87.1 to 89.9 THz. We have determined the absolute transition frequencies of the hyperfine-resolved R(0) to R(4) transitions with a typical uncertainty of 10 kHz. We have also yielded six molecular constants for each isotopomer in the vibrational excited state, which reproduce the determined frequencies with a standard deviation of about 10 kHz.

  12. Evaluating the effectiveness of gloves in reducing the hazards of hand-transmitted vibration.

    PubMed

    Griffin, M J

    1998-05-01

    A method of evaluating the effectiveness of gloves in reducing the hazards of hand-transmitted vibration is proposed. The glove isolation effectiveness was calculated from: (a) the measured transmissibility of a glove, (b) the vibration spectrum on the handle of a specific tool (or class of tools), and (c) the frequency weighting indicating the degree to which different frequencies of vibration cause injury. With previously reported tool vibration spectra and glove transmissibilities (from 10-1000 Hz), the method was used to test 10 gloves with 20 different powered tools. The frequency weighting for hand-transmitted vibration advocated in British standard 6842 (1987) and international standard 5349 (1986) greatly influences the apparent isolation effectiveness of gloves. With the frequency weighting, the gloves had little effect on the transmission of vibration to the hand from most of the tools. Only for two or three tools (those dominated by high frequency vibration) did any glove provide useful attenuation. Without the frequency weighting, some gloves showed useful attenuation of the vibration on most powered tools. In view of the uncertain effect of the vibration frequency in the causation of disorders from hand-transmitted vibration, it is provisionally suggested that the wearing of a glove by the user of a particular vibratory tool could be encouraged if the glove reduces the transmission of vibration when it is evaluated without the frequency weighting and does not increase the vibration when it is evaluated with the frequency weighting. A current international standard for the measurement and evaluation of the vibration transmitted by gloves can classify a glove as an antivibration glove when it provides no useful attenuation of vibration, whereas a glove providing useful attenuation of vibration on a specific tool can fail the test.

  13. The molecular structure of the borate mineral inderite Mg(H4B3O7)(OH) · 5H2O--a vibrational spectroscopic study.

    PubMed

    Frost, Ray L; López, Andrés; Xi, Yunfei; Lima, Rosa Malena Fernandes; Scholz, Ricardo; Granja, Amanda

    2013-12-01

    We have undertaken a study of the mineral inderite Mg(H4B3O7)(OH) · 5H2O a hydrated hydroxy borate mineral of magnesium using scanning electron microscopy, thermogravimetry and vibrational spectroscopic techniques. The structure consists of [Formula: see text] soroborate groups and Mg(OH)2(H2O)4 octahedra interconnected into discrete molecules by the sharing of two OH groups. Thermogravimetry shows a mass loss of 47.2% at 137.5 °C, proving the mineral is thermally unstable. Raman bands at 954, 1047 and 1116 cm(-1) are assigned to the trigonal symmetric stretching mode. The two bands at 880 and 916 cm(-1) are attributed to the symmetric stretching mode of the tetrahedral boron. Both the Raman and infrared spectra of inderite show complexity. Raman bands are observed at 3052, 3233, 3330, 3392 attributed to water stretching vibrations and 3459 cm(-1) with sharper bands at 3459, 3530 and 3562 cm(-1) assigned to OH stretching vibrations. Vibrational spectroscopy is used to assess the molecular structure of inderite. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. Using frequency response functions to manage image degradation from equipment vibration in the Daniel K. Inouye Solar Telescope

    NASA Astrophysics Data System (ADS)

    McBride, William R.; McBride, Daniel R.

    2016-08-01

    The Daniel K Inouye Solar Telescope (DKIST) will be the largest solar telescope in the world, providing a significant increase in the resolution of solar data available to the scientific community. Vibration mitigation is critical in long focal-length telescopes such as the Inouye Solar Telescope, especially when adaptive optics are employed to correct for atmospheric seeing. For this reason, a vibration error budget has been implemented. Initially, the FRFs for the various mounting points of ancillary equipment were estimated using the finite element analysis (FEA) of the telescope structures. FEA analysis is well documented and understood; the focus of this paper is on the methods involved in estimating a set of experimental (measured) transfer functions of the as-built telescope structure for the purpose of vibration management. Techniques to measure low-frequency single-input-single-output (SISO) frequency response functions (FRF) between vibration source locations and image motion on the focal plane are described. The measurement equipment includes an instrumented inertial-mass shaker capable of operation down to 4 Hz along with seismic accelerometers. The measurement of vibration at frequencies below 10 Hz with good signal-to-noise ratio (SNR) requires several noise reduction techniques including high-performance windows, noise-averaging, tracking filters, and spectral estimation. These signal-processing techniques are described in detail.

  15. Spatial hearing in Cope’s gray treefrog: II. Frequency-dependent directionality in the amplitude and phase of tympanum vibrations

    PubMed Central

    Lee, Norman; Schrode, Katrina M.; Johns, Anastasia R.; Christensen-Dalsgaard, Jakob; Bee, Mark A.

    2014-01-01

    Anuran ears function as pressure difference receivers, and the amplitude and phase of tympanum vibrations are inherently directional, varying with sound incident angle. We quantified the nature of this directionality for Cope’s gray treefrog, Hyla chrysoscelis. We presented subjects with pure tones, advertisement calls, and frequency-modulated sweeps to examine the influence of frequency, signal level, lung inflation, and sex on ear directionality. Interaural differences in the amplitude of tympanum vibrations were 1–4 dB greater than sound pressure differences adjacent to the two tympana, while interaural differences in the phase of tympanum vibration were similar to or smaller than those in sound phase. Directionality in the amplitude and phase of tympanum vibration were highly dependent on sound frequency, and directionality in amplitude varied slightly with signal level. Directionality in the amplitude and phase of tone- and call-evoked responses did not differ between sexes. Lung inflation strongly affected tympanum directionality over a narrow frequency range that, in females, included call frequencies. This study provides a foundation for further work on the biomechanics and neural mechanisms of spatial hearing in H. chrysoscelis, and lends valuable perspective to behavioral studies on the use of spatial information by this species and other frogs. PMID:24504183

  16. Vibrational resonances in biological systems at microwave frequencies.

    PubMed

    Adair, Robert K

    2002-03-01

    Many biological systems can be expected to exhibit resonance behavior involving the mechanical vibration of system elements. The natural frequencies of such resonances will, generally, be in the microwave frequency range. Some of these systems will be coupled to the electromagnetic field by the charge distributions they carry, thus admitting the possibility that microwave exposures may generate physiological effects in man and other species. However, such microwave excitable resonances are expected to be strongly damped by interaction with their aqueous biological environment. Although those dissipation mechanisms have been studied, the limitations on energy transfers that follow from the limited coupling of these resonances to the electromagnetic field have not generally been considered. We show that this coupling must generally be very small and thus the absorbed energy is so strongly limited that such resonances cannot affect biology significantly even if the systems are much less strongly damped than expected from basic dissipation models.

  17. Morphology-dependent low-frequency Raman scattering in ultrathin spherical, cubic, and cuboid SnO2 nanocrystals

    NASA Astrophysics Data System (ADS)

    Liu, L. Z.; Wu, X. L.; Li, T. H.; Xiong, S. J.; Chen, H. T.; Chu, Paul K.

    2011-12-01

    Nanoscale spherical, cubic, and cuboid SnO2 nanocrystals (NCs) are used to investigate morphology-dependent low-frequency Raman scattering. A double-peak structure in which the linewidths and energy separation between two subpeaks decrease with increasing sizes of cuboid NCs is observed and attributed to the surface acoustic phonon modes confined in three dimensional directions and determined by the surface/interface compositions. The decrease in energy separation is due to weaker coupling between the acoustic modes in different vibration directions. Our experimental and theoretical studies clearly disclose the morphology-dependent surface vibrational behavior in self-assembled NCs.

  18. The effects of whole-body vibration on the Wingate test for anaerobic power when applying individualized frequencies.

    PubMed

    Surowiec, Rachel K; Wang, Henry; Nagelkirk, Paul R; Frame, Jeffrey W; Dickin, D Clark

    2014-07-01

    Recently, individualized frequency (I-Freq) has been introduced with the notion that athletes may elicit a greater reflex response at differing levels (Hz) of vibration. The aim of the study was to evaluate acute whole-body vibration as a feasible intervention to increase power in trained cyclists and evaluate the efficacy of using I-Freq as an alternative to 30Hz, a common frequency seen in the literature. Twelve highly trained, competitive male cyclists (age, 29.9 ± 10.0 years; body height, 175.4 ± 7.8 cm; body mass, 77.3 ± 13.9 kg) participated in the study. A Wingate test for anaerobic power was administered on 3 occasions: following a control of no vibration, 30 Hz, or I-freq. Measures of peak power, average power (AP), and the rate of fatigue were recorded and compared with the vibration conditions using separate repeated measures analysis of variance. Peak power, AP, and the rate of fatigue were not significantly impacted by either the 30 Hz or I-Freq vibration interventions (p > 0.05). Given the trained status of the individuals in this study, the ability to elicit an acute response may have been muted. Future studies should further refine the vibration parameters used and assess changes in untrained or recreationally trained populations.

  19. Time-frequency vibration analysis for the detection of motor damages caused by bearing currents

    NASA Astrophysics Data System (ADS)

    Prudhom, Aurelien; Antonino-Daviu, Jose; Razik, Hubert; Climente-Alarcon, Vicente

    2017-02-01

    Motor failure due to bearing currents is an issue that has drawn an increasing industrial interest over recent years. Bearing currents usually appear in motors operated by variable frequency drives (VFD); these drives may lead to common voltage modes which cause currents induced in the motor shaft that are discharged through the bearings. The presence of these currents may lead to the motor bearing failure only few months after system startup. Vibration monitoring is one of the most common ways for detecting bearing damages caused by circulating currents; the evaluation of the amplitudes of well-known characteristic components in the vibration Fourier spectrum that are associated with race, ball or cage defects enables to evaluate the bearing condition and, hence, to identify an eventual damage due to bearing currents. However, the inherent constraints of the Fourier transform may complicate the detection of the progressive bearing degradation; for instance, in some cases, other frequency components may mask or be confused with bearing defect-related while, in other cases, the analysis may not be suitable due to the eventual non-stationary nature of the captured vibration signals. Moreover, the fact that this analysis implies to lose the time-dimension limits the amount of information obtained from this technique. This work proposes the use of time-frequency (T-F) transforms to analyse vibration data in motors affected by bearing currents. The experimental results obtained in real machines show that the vibration analysis via T-F tools may provide significant advantages for the detection of bearing current damages; among other, these techniques enable to visualise the progressive degradation of the bearing while providing an effective discrimination versus other components that are not related with the fault. Moreover, their application is valid regardless of the operation regime of the machine. Both factors confirm the robustness and reliability of these tools

  20. Flexural-torsional vibration of a tapered C-section beam

    NASA Astrophysics Data System (ADS)

    Dennis, Scott T.; Jones, Keith W.

    2017-04-01

    Previous studies have shown that numerical models of tapered thin-walled C-section beams based on a stepped or piecewise prismatic beam approximation are inaccurate regardless of the number of elements assumed in the discretization. Andrade recently addressed this problem by extending Vlasov beam theory to a tapered geometry resulting in new terms that vanish for the uniform beam. (See One-Dimensional Models for the Spatial Behaviour of Tapered Thin-Walled Bars with Open Cross-Sections: Static, Dynamic and Buckling Analyses, PhD Thesis, University of Coimbra, Portugal, 2012, https://estudogeral.sib.uc.pt) In this paper, we model the coupled bending-twisting vibration of a cantilevered tapered thin-walled C-section using a Galerkin approximation of Andrade's beam equations resulting in an 8-degree-of-freedom beam element. Experimental natural frequencies and mode shapes for 3 prismatic and 2 tapered channel beams are compared to model predictions. In addition, comparisons are made to detailed shell finite element models and exact solutions for the uniform beams to confirm the validity of the approach. Comparisons to the incorrect stepped model are also presented.

  1. Molecular structure, vibrational spectra, NBO analysis and molecular packing prediction of 3-nitroacetanilide by ab initio HF and density functional theory

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Hong; Li, Tong-Wei; Ju, Wei-Wei; Yong, Yong-Liang; Zhang, Xian-Zhou

    2014-01-01

    Quantum chemical calculations of geometries and vibrational wavenumbers of 3-nitroacetanilide (C8H8N2O3) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) methods with 6-31+G* basis set. The -311++G** basis set is also used for B3LYP level. The scaled harmonic vibrational frequencies have been compared with experimental FT-IR spectra. Theoretical vibrational spectra of the title compound were interpreted by means of potential energies distributions (PEDs) using MOLVIB program. The theoretical spectrograms for IR spectra of the title compound have been constructed. The shortening of Csbnd H bond length and the elongation of Nsbnd H bond length suggest the existence of weak Csbnd H⋯O and Nsbnd H⋯O hydrogen bonds, which is confirmed by the natural bond orbital analysis. In addition, the crystal structure obtained by molecular mechanics belongs to the P21 space group, with lattice parameters Z = 4, a = 14.9989 Å, b = 4.0367 Å, c = 12.9913 Å, ρ = 0.998 g cm-3.

  2. Impact-based piezoelectric energy harvester for multidimensional, low-level, broadband, and low-frequency vibrations

    NASA Astrophysics Data System (ADS)

    Zhang, Hongjiang; Jiang, Senlin; He, Xuefeng

    2017-05-01

    This letter proposes an impact-based piezoelectric energy harvester that uses a rolling bead contained in a bracket that is supported by a spring. Under either translational or rotational base excitation, the bead moves within the bracket and collides with piezoelectric cantilevers that are located around the bracket; these collisions cause the piezoelectric beams to vibrate and thus produce electrical outputs. The low rolling friction and the motion amplification effect of the spring make the resulting device suitable for collection of low-level vibration energy. Experiments show that the proposed harvester is promising for use in scavenging of energy from the multidimensional, low-level, broadband, and low-frequency vibrations that occur in natural environments.

  3. The effects of photobiomodulation and low-amplitude high-frequency vibration on bone healing process: a comparative study.

    PubMed

    Rajaei Jafarabadi, M; Rouhi, G; Kaka, G; Sadraie, S H; Arum, J

    2016-12-01

    This study aimed at investigating the effects of photobiomodulation (PBM) and low-amplitude high-frequency (LAHF) whole body mechanical vibration on bone fracture healing process when metallic plates are implanted in rats' femurs. Forty male rats weighing between 250 and 350 g, 12 weeks old, were employed in this study. A transverse critical size defect (CSD) was made in their right femurs that were fixed by stainless steel plates. After the surgery, the rats were divided equally into four groups: low-level laser therapy group (GaAlAs laser, 830 nm, 40 mW, 4 J/cm 2 , 0.35 cm beam diameter, LLLT), whole body vibration group (60 Hz, 0.1 mm amplitude, 1.5 g, WBV), a combination of laser and vibration group (LV), and the control group (C). Each group was divided into two subgroups based on sacrifice dates. The rats were sacrificed at intervals of 3 and 6 weeks after the surgery to extract their right femurs for radiography and biomechanical and histological analyses, and the results were analyzed using standard statistical methods. Radiographic analyses showed greater callus formation in the LLLT and WBV groups than in control group at both 3 (P < 0.05 and P < 0.001, respectively) and 6 weeks after surgery (P < 0.05 and P < 0.05, respectively). Histological evaluations showed a higher amount of new bone formation and better maturity in the LLLT and WBV groups than the control groups at 3 and 6 weeks after surgery. Biomechanical tests showed that the maximum force at fracture in the LLLT (P < 0.05 in 3 weeks and P < 0.05 in 6 weeks) and WBV (P < 0.001 in 3 weeks and P < 0.05 in 6 weeks) groups was greater than that in the control groups at both time intervals. But a combination of laser and vibration therapy, LV, did not show a positive interaction on bone fracture healing process. The biostimulation effects of PBM or LLLT and of low-amplitude high-frequency WBV both had a positive impact on bone healing process, for

  4. High force vibration testing with wide frequency range

    DOEpatents

    Romero, Edward F.; Jepsen, Richard A.; Gregory, Danny Lynn

    2013-04-02

    A shaker assembly for vibration testing includes first and second shakers, where the first shaker includes a piezo-electric material for generating vibration. A support structure permits a test object to be supported for vibration of the test object by both shakers. An input permits an external vibration controller to control vibration of the shakers.

  5. Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate

    NASA Astrophysics Data System (ADS)

    Sert, Yusuf; Singer, L. M.; Findlater, M.; Doğan, Hatice; Çırak, Ç.

    2014-07-01

    In this study, the experimental and theoretical vibrational frequencies of a newly synthesized tert-Butyl N-(thiophen-2yl)carbamate have been investigated. The experimental FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) have been calculated by using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with the 6-311++G(d,p) basis set by Gaussian 09W software, for the first time. The vibrational frequencies have been assigned using potential energy distribution (PED) analysis by using VEDA 4 software. The computational optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data, and with related literature results. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and are depicted.

  6. Ground simulation of wide frequency band angular vibration for Lander's optic sensors

    NASA Astrophysics Data System (ADS)

    Xing, Zhigang; Xiang, Jianwei; Zheng, Gangtie

    2017-11-01

    To guide a lander of Moon or Mars exploration spacecraft during the stage of descent onto a desired place, optic sensors have been chosen to take the task, which include optic cameras and laser distance meters. However, such optic sensors are sensitive to vibrations, especially angular vibrations, from the lander. To reduce the risk of abnormal function and ensure the performance of optic sensors, ground simulations are necessary. More importantly, the simulations can be used as a method for examining the sensor performance and finding possible improvement on the sensor design. In the present paper, we proposed an angular vibration simulation method during the landing. This simulation method has been realized into product and applied to optic sensor tests for the moon lander. This simulator can generate random angular vibration in a frequency range from 0 to 2000Hz, the control precision is +/-1dB, and the linear translational speed can be set to the required descent speed. The operation and data processing methods of this developed simulator are the same as a normal shake table. The analysis and design methods are studied in the present paper, and test results are also provided.

  7. A laboratory study on the dissociative recombination of vibrationally excited O2/+/ions

    NASA Technical Reports Server (NTRS)

    Zipf, E. C.

    1980-01-01

    The dissociative recombination of vibrationally excited O2(+) ions is studied in light of the possible importance of this reaction in upper atmospheric chemistry. A plasma spectroscopy experiment was performed in a microwave cavity filled by an argon-oxygen mixture, with O(1S) production monitored by measurements of the 5577-A afterglow, the O2(+) density and the electron concentration. Plasma and optical data reveal the predominant afterglow ions to be Ar2(+) and O2(+), with an effective O(1S) dissociative recombination coefficient of 2.1 x 10 to the -8th cu cm/sec, corresponding to a quantum yield of 10%. Experiments with an argon-krypton-oxygen mixture reveal that vibrationally excited O2(+) ions are the chief source of the O(1S) atoms, with a specific recombination coefficient for the dissociation of O2(+)(2 pi g) into O(1S) and O(1D) of 4.2 x 10 to the -9th cu cm/sec. A comparison of the laboratory results with Atmospheric Explorer data on the 5577-A airglow implies that O2(+) ions in the sunlit ionosphere are vibrationally excited to the same degree as in the laboratory, with the vibrational relaxation of these ions much slower than dissociative recombination. Results also predict a dawn-twilight asymmetry in the effective O(1S) yield due to the normal variation of electron content.

  8. A study on the contribution of body vibrations to the vibratory sensation induced by high-level, complex low-frequency noise.

    PubMed

    Takahashi, Yukio

    2011-01-01

    To investigate the contribution of body vibrations to the vibratory sensation induced by high-level, complex low-frequency noise, we conducted two experiments. In Experiment 1, eight male subjects were exposed to seven types of low-frequency noise stimuli: two pure tones [a 31.5-Hz, 100-dB(SPL) tone and a 50-Hz, 100-dB(SPL) tone] and five complex noises composed of the pure tones. For the complex noise stimuli, the sound pressure level of one tonal component was 100 dB(SPL) and that of another one was either 90, 95, or 100 dB(SPL). Vibration induced on the body surface was measured at five locations, and the correlation with the subjective rating of the vibratory sensation at each site of measurement was examined. In Experiment 2, the correlation between the body surface vibration and the vibratory sensation was similarly examined using seven types of noise stimuli composed of a 25-Hz tone and a 50-Hz tone. In both the experiments, we found that at the chest and the abdomen, the rating of the vibratory sensation was in close correlation with the vibration acceleration level (VAL) of the body surface vibration measured at each corresponding location. This was consistent with our previous results and suggested that at the trunk of the body (the chest and the abdomen), the mechanoreception of body vibrations plays an important role in the experience of the vibratory sensation in persons exposed to high-level low-frequency noise. At the head, however, no close correlation was found between the rating of the vibratory sensation and the VAL of body surface vibration. This suggested that at the head, the perceptual mechanisms of vibration induced by high-level low-frequency noise were different from those in the trunk of the body.

  9. Vibrational assignment and structure of trinuclear oxo-centered of basic formate iron(III) and chromium(III) complexes: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Kiana, Samaneh; Yazdanbakhsh, Mohammad; Jamialahmadi, Mina; Tayyari, Sayyed Faramarz

    2014-09-01

    [Fe3O(OOCH)6(H2O)3]OOCH·HCOOH, and [Cr3O(OOCH)6(H2O)3]OOCH·2.5HNO3 were synthesized and the molecular structure and vibrational assignments of their cations were investigated by means of density functional theory (DFT) calculations. The harmonic vibrational frequencies of [Fe3O(OOCH)6(H2O)3]+ and [Cr3O(OOCH)6(H2O)3]+ were obtained at the UB3LYP level using a series of basis sets. The topological properties of the charge distribution of both cations in their ground states are discussed in detail by means of natural bond orbital (NBO) theory and of [Fe3O(OOCH)6(H2O)3]+ by the quantum theory of atoms in molecules (AIM). The calculated geometrical parameters and vibrational frequencies were compared with the experimental results. The scaled theoretical frequencies and the structural parameters were found to be in good agreement with the experimental data.

  10. Communication: THz absorption spectrum of the CO2-H2O complex: observation and assignment of intermolecular van der Waals vibrations.

    PubMed

    Andersen, J; Heimdal, J; Mahler, D W; Nelander, B; Larsen, R Wugt

    2014-03-07

    Terahertz absorption spectra have been recorded for the weakly bound CO2-H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems' flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm(-1) from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm(-1) for the dissociation energy D0.

  11. Influence of Traffic Vehicles Against Ground Fundamental Frequency Prediction using Ambient Vibration Technique

    NASA Astrophysics Data System (ADS)

    Kamarudin, A. F.; Noh, M. S. Md; Mokhatar, S. N.; Anuar, M. A. Mohd; Ibrahim, A.; Ibrahim, Z.; Daud, M. E.

    2018-04-01

    Ambient vibration (AV) technique is widely used nowadays for ground fundamental frequency prediction. This technique is easy, quick, non-destructive, less operator required and reliable result. The input motions of ambient vibration are originally collected from surrounding natural and artificial excitations. But, careful data acquisition controlled must be implemented to reduce the intrusion of short period noise that could imply the quality of frequency prediction of an investigated site. In this study, investigation on the primary noise intrusion under peak (morning, afternoon and evening) and off peak (early morning) traffic flows (only 8 meter from sensor to road shoulder) against the stability and quality of ground fundamental frequency prediction were carried out. None of specific standard is available for AV data acquisition and processing. Thus, some field and processing parameters recommended by previous studies and guideline were considered. Two units of 1 Hz tri-axial seismometer sensor were closely positioned in front of the main entrance Universiti Tun Hussein Onn Malaysia. 15 minutes of recording length were taken during peak and off peak periods of traffic flows. All passing vehicles were counted and grouped into four classes. Three components of ambient vibration time series recorded in the North-South: NS, East-West: EW and vertical: UD directions were automatically computed into Horizontal to Vertical Spectral Ratio (HVSR), by using open source software of GEOPSY for fundamental ground frequency, Fo determination. Single sharp peak pattern of HVSR curves have been obtained at peak frequencies between 1.33 to 1.38 Hz which classified under soft to dense soil classification. Even identical HVSR curves pattern with close frequencies prediction were obtained under both periods of AV measurement, however the total numbers of stable and quality windows selected for HVSR computation were significantly different but both have satisfied the requirement

  12. Characterization of the frequency and muscle responses of the lumbar and thoracic spines of seated volunteers during sinusoidal whole body vibration.

    PubMed

    Baig, Hassam A; Dorman, Daniel B; Bulka, Ben A; Shivers, Bethany L; Chancey, Valeta C; Winkelstein, Beth A

    2014-10-01

    Whole body vibration has been postulated to contribute to the onset of back pain. However, little is known about the relationship between vibration exposure, the biomechanical response, and the physiological responses of the seated human. The aim of this study was to measure the frequency and corresponding muscle responses of seated male volunteers during whole body vibration exposures along the vertical and anteroposterior directions to define the transmissibility and associated muscle activation responses for relevant whole body vibration exposures. Seated human male volunteers underwent separate whole body vibration exposures in the vertical (Z-direction) and anteroposterior (X-direction) directions using sinusoidal sweeps ranging from 2 to 18 Hz, with a constant amplitude of 0.4 g. For each vibration exposure, the accelerations and displacements of the seat and lumbar and thoracic spines were recorded. In addition, muscle activity in the lumbar and thoracic spines was recorded using electromyography (EMG) and surface electrodes in the lumbar and thoracic region. Transmissibility was determined, and peak transmissibility, displacement, and muscle activity were compared in each of the lumbar and thoracic regions. The peak transmissibility for vertical vibrations occurred at 4 Hz for both the lumbar (1.55 ± 0.34) and thoracic (1.49 ± 0.21) regions. For X-directed seat vibrations, the transmissibility ratio in both spinal regions was highest at 2 Hz but never exceeded a value of 1. The peak muscle response in both spinal regions occurred at frequencies corresponding to the peak transmissibility, regardless of the direction of imposed seat vibration: 4 Hz for the Z-direction and 2-3 Hz for the X-direction. In both vibration directions, spinal displacements occurred primarily in the direction of seat vibration, with little off-axis motion. The occurrence of peak muscle responses at frequencies of peak transmissibility suggests that such

  13. Can two H2 molecules be inserted into C60 - an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H2@C60 complex

    NASA Astrophysics Data System (ADS)

    Dolgonos, Grygoriy A.; Peslherbe, Gilles H.

    2016-10-01

    The 2H2@C60 minimum structure of C2 symmetry has been fully characterized at the density-fitting local second-order Møller-Plesset (DF-LMP2) level of theory. Its uncorrected and zero-point energy (ZPE) corrected complexation energies equal 1.9 and 6.2 kcal/mol, respectively, confirming the instability of the complex. This structure exhibits the largest intermolecular host-guest and guest-guest separations among all the complexes studied in this work. The calculated infrared spectrum of 2H2@C60 does not show any frequency shifts for the modes associated with radial or tangential displacements in C60 (except for one mode), but shows a weak red Hsbnd H vibrational frequency shift.

  14. Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine

    NASA Technical Reports Server (NTRS)

    Holliday, Ezekiel S. (Inventor)

    2014-01-01

    Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

  15. Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy

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

    Chase, Hilary M.; Chen, Shunli; Fu, Li

    2017-09-01

    Inferring molecular orientations from vibrational sum frequency generation (SFG) spectra is challenging in polarization combinations that result in low signal intensities, or when the local point group symmetry approximation fails. While combining experiments with density functional theory (DFT) could overcome this problem, the scope of the combined method has yet to be established. Here, we assess its feasibility of determining the distributions of molecular orientations for one monobasic ester, two epoxides and three alcohols at the vapor/fused silica interface. We find that molecular orientations of nonlocal vibrational modes cannot be determined using polarization-resolved SFG measurements alone.

  16. 49 CFR Appendix C to Part 173 - Procedure for Base-level Vibration Testing

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Procedure for Base-level Vibration Testing C... Base-level Vibration Testing Base-level vibration testing shall be conducted as follows: 1. Three... platform. 4. Immediately following the period of vibration, each package shall be removed from the platform...

  17. Ultra-low frequency vibration data acquisition concerns in operating flight simulators. [Motion sickness inducing vibrations in flight simulators

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

    Van Hoy, B.W.

    1988-01-01

    The measurement of ultra-low frequency vibration (.01 to 1.0 Hz) in motion based flight simulators was undertaken to quantify the energy and frequencies of motion present during operation. Methods of measurement, the selection of transducers, recorders, and analyzers and the development of a test plan, as well as types of analysis are discussed. Analysis of the data using a high-speed minicomputer and a comparison of the computer analysis with standard FFT analysis are also discussed. Measurement of simulator motion with the pilot included as part of the control dynamics had not been done up to this time. The data aremore » being used to evaluate the effect of low frequency energy on the vestibular system of the air crew, and the incidence of simulator induced sickness. 11 figs.« less

  18. Detection and Identification of the Vibrational Markers for the Quantification of Methionine Oxidation in Therapeutic Proteins.

    PubMed

    Balakrishnan, Gurusamy; Barnett, Gregory V; Kar, Sambit R; Das, Tapan K

    2018-05-17

    Methionine oxidation is a major degradation pathway in therapeutic proteins which can impact the structure and function of proteins as well as risk to drug product quality. Detecting Met oxidation in proteins by peptide mapping followed by liquid chromatography with mass spectrometry (LC-MS) is the industry standard but is also labor intensive and susceptible to artifacts. In this work, vibrational difference spectroscopy in combination with 18 O isotopic shift enabled us to demonstrate the application of Raman and FTIR techniques for the detection and quantification of Met oxidation in various therapeutic proteins, including mAbs, fusion proteins, and antibody drug conjugate. Vibrational markers of Met oxidation products, such as sulfoxide and sulfone, corresponding to S═O and C-S═O stretching frequencies were unequivocally identified based 18 O isotoptic shifts. The intensity of the isolated νC-S Raman band at 702 cm -1 was successfully applied to quantify the average Met oxidation level in multiple proteins. These results are further corroborated by oxidation levels measured by tryptic peptide mapping, and thus the confirmed Met oxidation levels derived from Raman and mass spectrometry are indeed consistent with each other. Thus, we demonstrate the broader application of vibrational spectroscopy to detect the subtle spectral changes associated with various chemical or physical degradation of proteins, including Met oxidation as well as higher order structural changes.

  19. Terahertz laser spectroscopy of the water dimer intermolecular vibrations. I. (D2O)2

    NASA Astrophysics Data System (ADS)

    Braly, L. B.; Cruzan, J. D.; Liu, K.; Fellers, R. S.; Saykally, R. J.

    2000-06-01

    Terahertz laser VRT spectra of the water dimer consisting of 731 transitions measured with an average precision of 2 MHz and involving four (D2O)2 intermolecular vibrations (one previously published) have been measured between 65 and 104 cm-1. The precisely determined energy level patterns differ both qualitatively and quantitatively from the predictions of several dimer potentials tested, and reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by standard normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as among different vibrations. Particularly, the 83 cm-1 (acceptor wag) and 90 cm-1 (D2O)2 (acceptor twist) vibrations interact through a Coriolis perturbation. These spectra provide the basis for our recent determination of the water pair potential. The corresponding data set for (H2O)2 is presented in an accompanying paper.

  20. Vibrational spectroscopy of (SO42-).(H2O)n clusters, n=1-5: Harmonic and anharmonic calculations and experiment

    NASA Astrophysics Data System (ADS)

    Miller, Yifat; Chaban, Galina M.; Zhou, Jia; Asmis, Knut R.; Neumark, Daniel M.; Benny Gerber, R.

    2007-09-01

    The vibrational spectroscopy of (SO42-)•(H2O)n is studied by theoretical calculations for n =1-5, and the results are compared with experiments for n =3-5. The calculations use both ab initio MP2 and DFT/B3LYP potential energy surfaces. Both harmonic and anharmonic calculations are reported, the latter with the CC-VSCF method. The main findings are the following: (1) With one exception (H2O bending mode), the anharmonicity of the observed transitions, all in the experimental window of 540-1850cm-1, is negligible. The computed anharmonic coupling suggests that intramolecular vibrational redistribution does not play any role for the observed linewidths. (2) Comparison with experiment at the harmonic level of computed fundamental frequencies indicates that MP2 is significantly more accurate than DFT/B3LYP for these systems. (3) Strong anharmonic effects are, however, calculated for numerous transitions of these systems, which are outside the present observation window. These include fundamentals as well as combination modes. (4) Combination modes for the n=1 and n =2 clusters are computed. Several relatively strong combination transitions are predicted. These show strong anharmonic effects. (5) An interesting effect of the zero point energy (ZPE) on structure is found for (SO42-)•(H2O)5: The global minimum of the potential energy corresponds to a Cs structure, but with incorporation of ZPE the lowest energy structure is C2v, in accordance with experiment. (6) No stable structures were found for (OH-)•(HSO4-)•(H2O)n, for n ⩽5.

  1. The workings of a molecular thermometer: the vibrational excitation of carbon tetrachloride by a solvent.

    PubMed

    Graham, Polly B; Matus, Kira J M; Stratt, Richard M

    2004-09-15

    An intriguing energy-transfer experiment was recently carried out in methanol/carbon tetrachloride solutions. It turned out to be possible to watch vibrational energy accumulating in three of carbon tetrachloride's modes following initial excitation of O-H and C-H stretches in methanol, in effect making those CCl(4) modes "molecular thermometers" reporting on methanol's relaxation. In this paper, we use the example of a CCl(4) molecule dissolved in liquid argon to examine, on a microscopic level, just how this kind of thermal activation occurs in liquid solutions. The fact that even the lowest CCl(4) mode has a relatively high frequency compared to the intermolecular vibrational band of the solvent means that the only solute-solvent dynamics relevant to the vibrational energy transfer will be extraordinarily local, so much so that it is only the force between the instantaneously most prominent Cl and solvent atoms that will significantly contribute to the vibrational friction. We use this observation, within the context of a classical instantaneous-pair Landau-Teller calculation, to show that energy flows into CCl(4) primarily via one component of the nominally degenerate, lowest frequency, E mode and does so fast enough to make CCl(4) an excellent choice for monitoring methanol relaxation. Remarkably, within this theory, the different symmetries and appearances of the different CCl(4) modes have little bearing on how well they take up energy from their surroundings--it is only how high their vibrational frequencies are relative to the solvent intermolecular vibrational band edge that substantially favors one mode over another.

  2. Investigation of a vibration-damping unit for reduction in low-frequency vibrations of electric motors

    NASA Technical Reports Server (NTRS)

    Grigoryey, N. V.; Fedorovich, M. A.

    1973-01-01

    The vibroacoustical characteristics of different types of electric motors are discussed. It is shown that the basic source of low frequency vibrations is rotor unbalance. A flexible damping support, with an antivibrator, is used to obtain the vibroacoustical effect of reduction in the basic harmonic of the electric motor. A model of the electric motor and the damping apparatus is presented. Mathematical models are developed to show the relationships of the parameters. The basic purpose in using a calculation model id the simultaneous replacement of the exciting force created by the rotor unbalance and its inertial rigidity characteristics by a limiting kinematic disturbance.

  3. Calculation of the vibration-rotational transition intensities of water molecules trapped in an argon matrix: stretching O-H vibrations spectral region

    NASA Astrophysics Data System (ADS)

    Pitsevich, George; Shalamberidze, Elena; Malevich, Alex; Sablinskas, Valdas; Balevicius, Vytautas; Pettersson, Lars G. M.

    2017-10-01

    The frequencies and intensities of vibration-rotational transitions of water molecules in an argon matrix were calculated for temperatures of 6 and 30 K. The rigid asymmetric top approximation was used with available literature values of the effective rotational constants in the ground and excited vibrational states. The calculations were carried out by taking into account the existence of a non-equilibrium population distribution between the rotational levels of ortho- and para-water isomers. It was assumed that the temperature relaxation of the population of rotational levels is independent of the ortho- and para-isomers. Comparison of the results of the theoretical calculations with experimental literature data shows good agreement for the majority of the rotational structure lines for symmetric and antisymmetric stretching vibrations both in the frequency values and in the values of the relative intensities.

  4. Probing electronic and vibrational properties at the electrochemical interface using SFG spectroscopy: Methanol electro-oxidation on Pt(1 1 0)

    NASA Astrophysics Data System (ADS)

    Vidal, F.; Busson, B.; Tadjeddine, A.

    2005-02-01

    We report the study of methanol electro-oxidation on Pt(1 1 0) using infrared-visible sum-frequency generation (SFG) vibrational spectroscopy. The use of this technique enables to probe the vibrational and electronic properties of the interface simultaneously in situ. We have investigated the vibrational properties of the interface in the CO ads internal stretch spectral region (1700-2150 cm -1) over a wide range of potentials. The analysis of the evolution of the C-O stretch line shape, which is related to the interference between the vibrational and electronic parts of the non-linear response, with the potential allows us to show that the onset of bulk methanol oxidation corresponds to the transition from a negatively to a positively charged surface.

  5. Low Frequency Vibration approach to asess the Performance of wood structural Systems

    Treesearch

    Xiping Wang; Robert J. Ross; Michael O. Hunt

    2004-01-01

    The primary means of inspecting buildings and other structures is to evaluate each structure member individually. This is a time consuming process that is expensive, particularly if sheathing or other covering materials must be removed to access the structural members. This paper presents an effort to use a low frequency vibration method for assessing the structural...

  6. Coherent control of flexural vibrations in dual-nanoweb fibers using phase-modulated two-frequency light

    NASA Astrophysics Data System (ADS)

    Koehler, J. R.; Noskov, R. E.; Sukhorukov, A. A.; Novoa, D.; Russell, P. St. J.

    2017-12-01

    Coherent control of the resonant response in spatially extended optomechanical structures is complicated by the fact that the optical drive is affected by the backaction from the generated phonons. Here we report an approach to coherent control based on stimulated Raman-like scattering, in which the optical pressure can remain unaffected by the induced vibrations even in the regime of strong optomechanical interactions. We demonstrate experimentally coherent control of flexural vibrations simultaneously along the whole length of a dual-nanoweb fiber, by imprinting steps in the relative phase between the components of a two-frequency pump signal, the beat frequency being chosen to match a flexural resonance. Furthermore, sequential switching of the relative phase at time intervals shorter than the lifetime of the vibrations reduces their amplitude to a constant value that is fully adjustable by tuning the phase modulation depth and switching rate. The results may trigger new developments in silicon photonics, since such coherent control uniquely decouples the amplitude of optomechanical oscillations from power-dependent thermal effects and nonlinear optical loss.

  7. Synthesis and X-ray crystal structure of (OsO(3)F(2))(2)2XeOF(4) and the Raman spectra of (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4).

    PubMed

    Hughes, Michael J; Mercier, Hélène P A; Schrobilgen, Gary J

    2009-05-18

    The adduct, (OsO(3)F(2))(2)2XeOF(4), was synthesized by dissolution of the infinite chain polymer, (OsO(3)F(2))(infinity), in XeOF(4) solvent at room temperature followed by removal of excess XeOF(4) under dynamic vacuum at 0 degrees C. Continued pumping at 0 degrees C resulted in removal of associated XeOF(4), yielding (OsO(3)F(2))(2), a new low-temperature phase of OsO(3)F(2). Upon standing at 25 degrees C for 1(1)/(2) h, (OsO(3)F(2))(2) underwent a phase transition to the known monoclinic phase, (OsO(3)F(2))(infinity). The title compounds, (OsO(3)F(2))(infinity), (OsO(3)F(2))(2), and (OsO(3)F(2))(2)2XeOF(4) have been characterized by low-temperature (-150 degrees C) Raman spectroscopy. Crystallization of (OsO(3)F(2))(2)2XeOF(4) from XeOF(4) solution at 0 degrees C yielded crystals suitable for X-ray structure determination. The structural unit contains the (OsO(3)F(2))(2) dimer in which the OsO(3)F(3) units are joined by two Os---F---Os bridges having fluorine bridge atoms that are equidistant from the osmium centers (2.117(5) and 2.107(4) A). The dimer coordinates to two XeOF(4) molecules through Os-F...Xe bridges in which the Xe...F distances (2.757(5) A) are significantly less than the sum of the Xe and F van der Waals radii (3.63 A). The (OsO(3)F(2))(2) dimer has C(i) symmetry in which each pseudo-octahedral OsO(3)F(3) unit has a facial arrangement of oxygen ligands with XeOF(4) molecules that are only slightly distorted from their gas-phase C(4v) symmetry. Quantum-chemical calculations using SVWN and B3LYP methods were employed to calculate the gas-phase geometries, natural bond orbital analyses, and vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), XeOF(4), OsO(2)F(4), and (mu-FOsO(3)F(2))(2)OsO(3)F(-) to aid in the assignment of the experimental vibrational frequencies of (OsO(3)F(2))(2), (OsO(3)F(2))(2)2XeOF(4), and (OsO(3)F(2))(infinity). The vibrational modes of the low-temperature polymeric phase, (OsO(3)F(2))(infinity), have been

  8. Derivatives of buckling loads and vibration frequencies with respect to stiffness and initial strain parameters

    NASA Technical Reports Server (NTRS)

    Haftka, Raphael T.; Cohen, Gerald A.; Mroz, Zenon

    1990-01-01

    A uniform variational approach to sensitivity analysis of vibration frequencies and bifurcation loads of nonlinear structures is developed. Two methods of calculating the sensitivities of bifurcation buckling loads and vibration frequencies of nonlinear structures, with respect to stiffness and initial strain parameters, are presented. A direct method requires calculation of derivatives of the prebuckling state with respect to these parameters. An adjoint method bypasses the need for these derivatives by using instead the strain field associated with the second-order postbuckling state. An operator notation is used and the derivation is based on the principle of virtual work. The derivative computations are easily implemented in structural analysis programs. This is demonstrated by examples using a general purpose, finite element program and a shell-of-revolution program.

  9. On the differences between 1.5oC and 2oC of global warming

    NASA Astrophysics Data System (ADS)

    King, A.

    2017-12-01

    The Paris Agreement of 2015 has resulted in a drive to limit global warming to 2oC with an aim for a lower 1.5oC target. It is therefore vital that we understand some of the differences we would expect between these two levels of global warming. My research uses coupled climate model projections to investigate where and for what variables we can differentiate between worlds of 1.5oC and 2oC global warming. I place a particular focus on climate extremes and population exposure to those extremes. I have found that there are perceptible benefits in limiting global warming to 1.5oC as opposed to 2oC through reduced frequency and intensity of heat extremes, both over land and in ocean areas where thermal stress on coral has resulted in bleaching. Differences in high and low precipitation extremes between the 1.5oC and 2oC global warming levels are projected for some regions. I have also examined how "scalable" changes from the 1.5oC to 2oC level are. In areas of the world such as Eastern China I find that changes in anthropogenic aerosol concentrations will influence the level of change projected at 1.5oC and 2oC, such that past warming is likely to be a poor indicator of future changes. Overall, my research finds clear benefits to limiting global warming to 1.5oC relative to higher levels.

  10. Vibrational frequency analysis, FT-IR, DFT and M06-2X studies on tert-Butyl N-(thiophen-2yl)carbamate.

    PubMed

    Sert, Yusuf; Singer, L M; Findlater, M; Doğan, Hatice; Çırak, Ç

    2014-07-15

    In this study, the experimental and theoretical vibrational frequencies of a newly synthesized tert-Butyl N-(thiophen-2yl)carbamate have been investigated. The experimental FT-IR (4000-400 cm(-1)) spectrum of the molecule in the solid phase have been recorded. The theoretical vibrational frequencies and optimized geometric parameters (bond lengths and bond angles) have been calculated by using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr) and DFT/M06-2X (the highly parametrized, empirical exchange correlation function) quantum chemical methods with the 6-311++G(d,p) basis set by Gaussian 09W software, for the first time. The vibrational frequencies have been assigned using potential energy distribution (PED) analysis by using VEDA 4 software. The computational optimized geometric parameters and vibrational frequencies have been found to be in good agreement with the corresponding experimental data, and with related literature results. In addition, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energies and the other related molecular energy values have been calculated and are depicted. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. The Shock and Vibration Bulletin. Part 3. Dynamic Analysis, Design Techniques

    DTIC Science & Technology

    1980-09-01

    response at certain discrete frequen- nique for dynamic analysis was pioneered by cies, not over a random-frequence spectrum. Myklestad[l]. Later Pestel and...34Fundamentals of Vibra- v’ angle of rotation due to tion Analysis ," McGraw-Hill, New York, 1956. bending 2. E.C. Pestel and F.A. Leckie, "Matrix o’ angle of...Bulletin 50IC FILE COPY (Part 03ofP,) to THE SHOCK AND VIBRATION BULLETIN Part 3 Dynamic Analysis , Design Techniques IELECTE SEPTEMBER 1980 S NOV 1

  12. Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

    DOE PAGES

    Zhang, Libing; Lu, Zhou; Velarde, Luis; ...

    2015-03-03

    Both the C–H and O–H region spectra of crystalline cellulose were studied using the sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) for the first time. The resolution of HR-BB-SFG-VS is about 10-times better than conventional scanning SFG-VS and has the capability of measuring the intrinsic spectral lineshape and revealing many more spectral details. With HR-BB-SFG-VS, we found that in cellulose samples from different sources, including Avicel and cellulose crystals isolated from algae Valonia (Iα) and tunicates (Iβ), the spectral signatures in the O–H region were unique for the two allomorphs, i.e. Iα and Iβ, while the spectral signaturesmore » in the C–H regions varied in all samples examined. Even though the origin of the different spectral signatures of the crystalline cellulose in the O–H and C–H vibrational frequency regions are yet to be correlated to the structure of cellulose, these results lead to new spectroscopic methods and opportunities to classify and to understand the basic crystalline structures, as well as variations in polymorphism of the crystalline cellulose.« less

  13. Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

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

    Zhang, Libing; Lu, Zhou; Velarde, Luis

    Both the C–H and O–H region spectra of crystalline cellulose were studied using the sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) for the first time. The resolution of HR-BB-SFG-VS is about 10-times better than conventional scanning SFG-VS and has the capability of measuring the intrinsic spectral lineshape and revealing many more spectral details. With HR-BB-SFG-VS, we found that in cellulose samples from different sources, including Avicel and cellulose crystals isolated from algae Valonia (Iα) and tunicates (Iβ), the spectral signatures in the O–H region were unique for the two allomorphs, i.e. Iα and Iβ, while the spectral signaturesmore » in the C–H regions varied in all samples examined. Even though the origin of the different spectral signatures of the crystalline cellulose in the O–H and C–H vibrational frequency regions are yet to be correlated to the structure of cellulose, these results lead to new spectroscopic methods and opportunities to classify and to understand the basic crystalline structures, as well as variations in polymorphism of the crystalline cellulose.« less

  14. What is limiting low-temperature atomic layer deposition of Al{sub 2}O{sub 3}? A vibrational sum-frequency generation study

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

    Vandalon, V., E-mail: v.vandalon@tue.nl, E-mail: w.m.m.kessels@tue.nl; Kessels, W. M. M., E-mail: v.vandalon@tue.nl, E-mail: w.m.m.kessels@tue.nl

    2016-01-04

    The surface reactions during atomic layer deposition (ALD) of Al{sub 2}O{sub 3} from Al(CH{sub 3}){sub 3} and H{sub 2}O have been studied with broadband sum-frequency generation to reveal what is limiting the growth at low temperatures. The –CH{sub 3} surface coverage was measured for temperatures between 100 and 300 °C and the absolute reaction cross sections, describing the reaction kinetics, were determined for both half-cycles. It was found that –CH{sub 3} groups persisted on the surface after saturation of the H{sub 2}O half-cycle. From a direct correlation with the growth per cycle, it was established that the reduced reactivity of H{submore » 2}O towards –CH{sub 3} is the dominant factor limiting the ALD process at low temperatures.« less

  15. Natural Frequencies Evaluation on Partially Damaged Building using Ambient Vibration Technique

    NASA Astrophysics Data System (ADS)

    Kamarudin, A. F.; Zainal Abidin, M. H.; Daud, M. E.; Noh, M. S. Md; Madun, A.; Ibrahim, A.; Matarul, J.; Mokhatar, S. N.

    2018-04-01

    Severe damages observed on the school blocks, roads, retaining walls and drainage within the compound of SMK Kundasang Sabah possibly due to the ground movements triggered by the Ranau earthquake in 1991. Ambient vibration measurements were carried on the remaining demolished 3-storey building which partially damaged in order to measure the predominant building frequencies using tri-axial 1 Hz seismometer sensors. Popular methods of Horizontal-to-vertical spectral ratios (HVSR) and Fourier amplitude spectra (FAS) were used to compute the ambient vibration wave fields of each building axes (Transverse or North-South (NS), Longitudinal or East-West (EW) and vertical) into Fourier spectra. Two main modes of translation and torsion were observed from the peaks frequencies obtained at 2.99 to 3.10 Hz (1st mode), 4.85 Hz (2nd mode) and 5.63 to 5.85 Hz (3rd mode). The building experiencing translation modes of bending and shear in the NS and EW directions. It could be seen when the amplitudes tends to increase when the floor are increased. Meanwhile, the torsional bending mode is expected to occur when the deformation amplitudes are found to be increasing horizontally, when moving into partially structural damaged section located on the East wing of building.

  16. Comparison of frequency-domain and time-domain rotorcraft vibration control methods

    NASA Technical Reports Server (NTRS)

    Gupta, N. K.

    1984-01-01

    Active control of rotor-induced vibration in rotorcraft has received significant attention recently. Two classes of techniques have been proposed. The more developed approach works with harmonic analysis of measured time histories and is called the frequency-domain approach. The more recent approach computes the control input directly using the measured time history data and is called the time-domain approach. The report summarizes the results of a theoretical investigation to compare the two approaches. Five specific areas were addressed: (1) techniques to derive models needed for control design (system identification methods), (2) robustness with respect to errors, (3) transient response, (4) susceptibility to noise, and (5) implementation difficulties. The system identification methods are more difficult for the time-domain models. The time-domain approach is more robust (e.g., has higher gain and phase margins) than the frequency-domain approach. It might thus be possible to avoid doing real-time system identification in the time-domain approach by storing models at a number of flight conditions. The most significant error source is the variation in open-loop vibrations caused by pilot inputs, maneuvers or gusts. The implementation requirements are similar except that the time-domain approach can be much simpler to implement if real-time system identification were not necessary.

  17. Terahertz laser vibration-rotation-tunneling spectrum of the water pentamer-d 10. . Constraints on the bifurcation tunneling dynamics

    NASA Astrophysics Data System (ADS)

    Cruzan, Jeff D.; Viant, Mark R.; Brown, Mac G.; Lucas, Don D.; Liu, Kun; Saykally, Richard J.

    1998-08-01

    The vibration-rotation-tunneling (VRT) spectrum of a low-frequency intermolecular vibration of (D 2O) 5 was recorded near 0.9 THz (30.2 cm -1). From an analysis of the relative intensities in the compact Q-branch region, the ground-state C-rotational constant is estimated to be 975±60 MHz, consistent with ab initio structural predictions. The precisely determined B-rotational constant ( B=1750.96±0.20 MHz) agrees well with previous results. Efforts to resolve possible bifurcation tunneling fine structure, such as that observed in VRT spectra of (D 2O) 3, revealed no such effects. This constrains the splittings to be less than 450 kHz, or roughly 3 times smaller than required by previous results.

  18. Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries.

    PubMed

    Alecu, I M; Zheng, Jingjing; Zhao, Yan; Truhlar, Donald G

    2010-09-14

    Optimized scale factors for calculating vibrational harmonic and fundamental frequencies and zero-point energies have been determined for 145 electronic model chemistries, including 119 based on approximate functionals depending on occupied orbitals, 19 based on single-level wave function theory, three based on the neglect-of-diatomic-differential-overlap, two based on doubly hybrid density functional theory, and two based on multicoefficient correlation methods. Forty of the scale factors are obtained from large databases, which are also used to derive two universal scale factor ratios that can be used to interconvert between scale factors optimized for various properties, enabling the derivation of three key scale factors at the effort of optimizing only one of them. A reduced scale factor optimization model is formulated in order to further reduce the cost of optimizing scale factors, and the reduced model is illustrated by using it to obtain 105 additional scale factors. Using root-mean-square errors from the values in the large databases, we find that scaling reduces errors in zero-point energies by a factor of 2.3 and errors in fundamental vibrational frequencies by a factor of 3.0, but it reduces errors in harmonic vibrational frequencies by only a factor of 1.3. It is shown that, upon scaling, the balanced multicoefficient correlation method based on coupled cluster theory with single and double excitations (BMC-CCSD) can lead to very accurate predictions of vibrational frequencies. With a polarized, minimally augmented basis set, the density functionals with zero-point energy scale factors closest to unity are MPWLYP1M (1.009), τHCTHhyb (0.989), BB95 (1.012), BLYP (1.013), BP86 (1.014), B3LYP (0.986), MPW3LYP (0.986), and VSXC (0.986).

  19. Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-).

    PubMed

    Wolke, Conrad T; DeBlase, Andrew F; Leavitt, Christopher M; McCoy, Anne B; Johnson, Mark A

    2015-12-31

    To understand how the D2d oxalate scaffold (C2O4)(2-) distorts upon capture of a proton, we report the vibrational spectra of the cryogenically cooled HO2CCO2(-) anion and its deuterated isotopologue DO2CCO2(-). The transitions associated with the skeletal vibrations and OH bending modes are sharp and are well described by inclusion of cubic terms in the normal mode expansion of the potential surface through an extended Fermi resonance analysis. The ground state structure features a five-membered ring with an asymmetric intramolecular proton bond. The spectral signatures of the hydrogen stretches, on the contrary, are surprisingly diffuse, and this behavior is not anticipated by the extended Fermi scheme. We trace the diffuse bands to very strong couplings between the high-frequency OH-stretch and the low-frequency COH bends as well as heavy particle skeletal deformations. A simple vibrationally adiabatic model recovers this breadth of oscillator strength as a 0 K analogue of the motional broadening commonly used to explain the diffuse spectra of H-bonded systems at elevated temperatures, but where these displacements arise from the configurations present at the vibrational zero-point level.

  20. On the Convection of a Binary Mixture in a Horizontal Layer Under High-frequency Vibrations

    NASA Astrophysics Data System (ADS)

    Smorodin, B. L.; Ishutov, S. M.; Myznikova, B. I.

    2018-02-01

    The convective instability and non-linear flows are considered in a horizontal, binary-mixture layer with negative Soret coupling, subjected to the high-frequency vibration whose axis is directed at an arbitrary angle to the layer boundaries. The limiting case of long-wave disturbances is studied using the perturbation method. The influence of the intensity and direction of vibration on the spatially-periodic traveling wave solution is analyzed. It is shown that the shift in the Rayleigh number range, in which the traveling wave regime exists, toward higher values is a response to a horizontal-to-vertical transition in the vibration axis orientation. The characteristics of amplitude- and phase-modulated traveling waves are obtained and discussed.

  1. Synergistic acceleration of experimental tooth movement by supplementary high-frequency vibration applied with a static force in rats.

    PubMed

    Takano-Yamamoto, Teruko; Sasaki, Kiyo; Fatemeh, Goudarzi; Fukunaga, Tomohiro; Seiryu, Masahiro; Daimaruya, Takayoshi; Takeshita, Nobuo; Kamioka, Hiroshi; Adachi, Taiji; Ida, Hiroto; Mayama, Atsushi

    2017-10-25

    Several recent prospective clinical trials have investigated the effect of supplementary vibration applied with fixed appliances in an attempt to accelerate tooth movement and shorten the duration of orthodontic treatment. Among them, some studies reported an increase in the rate of tooth movement, but others did not. This technique is still controversial, and the underlying cellular and molecular mechanisms remain unclear. In the present study, we developed a new vibration device for a tooth movement model in rats, and investigated the efficacy and safety of the device when used with fixed appliances. The most effective level of supplementary vibration to accelerate tooth movement stimulated by a continuous static force was 3 gf at 70 Hz for 3 minutes once a week. Furthermore, at this optimum-magnitude, high-frequency vibration could synergistically enhance osteoclastogenesis and osteoclast function via NF-κB activation, leading to alveolar bone resorption and finally, accelerated tooth movement, but only when a static force was continuously applied to the teeth. These findings contribute to a better understanding of the mechanism by which optimum-magnitude high-frequency vibration accelerates tooth movement, and may lead to novel approaches for the safe and effective treatment of malocclusion.

  2. Annealing temperature effects on the magnetic properties and induced defects in C/N/O implanted MgO

    NASA Astrophysics Data System (ADS)

    Li, Qiang; Ye, Bonian; Hao, Yingping; Liu, Jiandang; Kong, Wei; Ye, Bangjiao

    2013-02-01

    Virgin MgO single crystals were implanted with 70 keV C/N/O ions at room temperature to a dose of 2 × 1017/cm2. After implantation the samples showed room temperature hysteresis in magnetization loops. The annealing effects on the magnetic properties and induced defects of these samples were determined by vibrating sample magnetometer and positron annihilation spectroscopy, respectively. The experimental results indicate that ferromagnetism can be introduced to MgO single crystals by doping with C, N or introduction of Mg related vacancy defects. However, the Mg vacancies coexistence with C or N ions in the C-/N-implanted samples may play a negative role in magnetic performance in these MgO samples. The rapid increase of magnetic moment in O-implanted sample is attributed to the formation of new type of vacancy defects.

  3. Self-biased magnetoelectric charge coupling in transducer of SmFe2, Pb(Zr,Ti)O3 stack, and stepped horn substrate with multi-frequency effect

    NASA Astrophysics Data System (ADS)

    Tang, Chengpei; Lu, Caijiang; Gao, Hongli; Fu, Guoqiang

    2017-10-01

    This paper presents a broadband, self-biased magnetoelectric (ME) charge coupling in a transducer comprising of a negative magnetostrictive SmFe2 plate, a piezoelectric Pb(Zr,Ti)O3 (PZT) stack, and a stepped horn substrate. By using the SmFe2 plate with a large anisotropic field, an outstanding self-biased piezomagnetic effect is realized. The horn serves as a waveguide with multiple resonances and converges vibrating energy excited by the SmFe2 plate from the wide side to the narrow side, which results in a higher vibrating magnification at the position of the PZT-stack. Then, a strong mechanical-electric coupling is realized by the use of the PZT-stack with high capacitance. Consequently, several large peaks of ME charge response with magnitudes of 1.02-18.99 nC/Oe in the 0.1-50 kHz range are observed at zero-biased magnetic field. This demonstrates that the proposed broadband self-biased structure may be useful for multifunctional devices such as low frequency AC magnetic field sensors or multi-frequency energy harvesters.

  4. Investigation of the Herzberg (C1Σ+→A1Π) band system in 12C17O

    NASA Astrophysics Data System (ADS)

    Hakalla, Rafał

    2015-10-01

    The C→A (0,1), (0,2) and (0,3) rovibronic bands of the less-abundant 12C17O isotopologue are studied in high resolution using a high-accuracy dispersive optical spectroscopy in the region of 22,800-26,100 cm-1. Calibration with respect to simultaneously recorded thorium atomic lines, obtained from several overlapped orders of the spectrum in the visible range, as well as a stainless steel hollow-cathode molecular lamp with two anodes, yields an absolute accuracy of wavenumbers measurements of about 0.0025 cm-1 for the CO spectra. All 261 spectra lines of the Herzberg band system in 12C17O, up to Jmax=34, were precisely measured and rotationally analyzed. As a result, the merged rotational constants and rotational equilibrium constants for the C1Σ+ Rydberg state, as well as the band origins, the isotope shifts, the RKR turning points, Franck-Condon factors, relative intensities, and r-centroids of the C→A system in the 12C17O isotopologue were obtained. An experimental RKR potential energy curve and vibrational levels of the C1Σ+ state in 12C17O together with highly excited k3Π, c3Π, E1Π, B1Σ+ and D‧1Σ+ states lying in the region between the first dissociation limit and the ionization potential of CO were plotted. A detailed investigation of possible perturbations that should occur in the C1Σ+(υ=0) Rydberg state of less-abundant 12C17O isotopologue in the close vicinity of the k3Π(υ=1, 2) and c3Π(υ=0) states in the region 92,000 cm-1 was performed. In the A1Π, υ=3 state of 12C17O, extensive, multi-state rotational perturbations were found and analyzed. Also, a global isotopic analysis of the C1Σ+ Rydberg state was carried out in the 12C16O, 12C17O, 13C16O, 12C18O, 13C17O, and 13C18O as well as in 14C16O and 14C18O isotopologues. This analysis enabled us to determine, amongst others, the vibrational equilibrium constants in 12C17O for the C1Σ+ state, to improve these constants in the 12C16O, 13C16O, 12C18O, 13C17O, and 13C18O isotopologues and

  5. Molecular structure and vibrational assignments of 2,4-dichlorophenoxyacetic acid herbicide

    NASA Astrophysics Data System (ADS)

    Badawi, Hassan M.

    2010-09-01

    The structural stability of 2,4-dichlorophenoxyacetic acid was investigated by the DFT-B3LYP and the ab initio MP2 calculations with the 6-311G** basis set. From the calculations at both levels of theory the Cgcpp structure was predicted to be the lowest energy minimum for the acid. The DFT and the MP2 levels disagreed about the nature of the second stable structure of 2,4-dichlorophenoxyacetic acid. At the DFT-B3LYP level of calculation the planar Tttp ( transoid O dbnd C sbnd O sbnd H) and the non-planar Tgcpp ( cisoid O dbnd C sbnd O sbnd H) forms were predicted to be 0.7 and 1.5 kcal/mol, respectively higher in energy than the Cgcpp conformation. At the MP2 level the two high energy Tttp and Tgcpp forms were predicted to be 2.7 and 1.4 kcal/mol, respectively higher in energy than the ground state Cgcpp structure. The Tgcpp form was adopted as the second possible structure of 2,4-dichlorophenoxyacetic acid on the basis of the fact that the Møller-Plesset calculations account better than the DFT ones for the non-bonding O⋯H interactions. The vibrational frequencies of the lowest energy Cgcpp conformer were computed at the B3LYP level of theory and tentative vibrational assignments were provided on the basis of normal coordinate analysis and experimental infrared and Raman data.

  6. Local distortions and reduction in T/sub c/ in the ceramic superconductor La/sub 1. 8/Sr/sub 0. 2/Cu/sub 1-//sub x/Ag/sub x/O/sub 4/

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

    Muraleedharan, K.; Rambabu, D.

    1987-12-01

    Substitution of Ag for Cu in the high-T/sub c/ ceramic superconductor La/sub 1.8/Sr/sub 0.2/CuO/sub 4/ has been found to reduce T/sub c/. The infrared absorption spectra of these superconducting systems show that the vibrational mode, which disappears at xapprox.0.15 for La/sub 2-//sub x/Sr/sub x/CuO/sub 4/ appears at a reduced frequency in the Ag-substituted systems. It is argued that the local distortions around the Ag sites result in both the reduction of T/sub c/ as well as the appearance of the absorption peak at 630 cm/sup -1/.

  7. Fabrication and characterization of non-resonant magneto-mechanical low-frequency vibration energy harvester

    NASA Astrophysics Data System (ADS)

    Nammari, Abdullah; Caskey, Logan; Negrete, Johnny; Bardaweel, Hamzeh

    2018-03-01

    This article presents a non-resonant magneto-mechanical vibration energy harvester. When externally excited, the energy harvester converts vibrations into electric charge using a guided levitated magnet oscillating inside a multi-turn coil that is fixed around the exterior of the energy harvester. The levitated magnet is guided using four oblique mechanical springs. A prototype of the energy harvester is fabricated using additive manufacturing. Both experiment and model are used to characterize the static and dynamic behavior of the energy harvester. Measured restoring forces show that the fabricated energy harvester retains a mono-stable potential energy well with desired stiffness nonlinearities. Results show that magnetic spring results in hardening effect which increases the resonant frequency of the energy harvester. Additionally, oblique mechanical springs introduce geometric, negative, nonlinear stiffness which improves the harvester's response towards lower frequency spectrum. The unique design can produce a tunable energy harvester with multi-well potential energy characteristics. A finite element model is developed to estimate the average radial flux density experienced by the multi-turn coil. Also, a lumped parameter model of the energy harvester is developed and validated against measured data. Both upward and downward frequency sweeps are performed to determine the frequency response of the harvester. Results show that at higher excitation levels hardening effects become more apparent, and the system dynamic response turns into non-resonant. Frequency response curves exhibit frequency jump phenomena as a result of coexistence of multiple energy states at the frequency branch. The fabricated energy harvester is hand-held and measures approximately 100.5 [cm3] total volume. For a base excitation of 1.0 g [m/s2], the prototype generates a peak voltage and normalized power density of approximately 3.5 [V] and 0.133 [mW/cm3 g2], respectively, at 15.5 [Hz].

  8. 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.

  9. Period of vibration of axially vibrating truly nonlinear rod

    NASA Astrophysics Data System (ADS)

    Cveticanin, L.

    2016-07-01

    In this paper the axial vibration of a muscle whose fibers are parallel to the direction of muscle compression is investigated. The model is a clamped-free rod with a strongly nonlinear elastic property. Axial vibration is described by a nonlinear partial differential equation. A solution of the equation is constructed for special initial conditions by using the method of separation of variables. The partial differential equation is separated into two uncoupled strongly nonlinear second order differential equations. Both equations, with displacement function and with time function are exactly determined. Exact solutions are given in the form of inverse incomplete and inverse complete Beta function. Using boundary and initial conditions, the frequency of vibration is obtained. It has to be mentioned that the determined frequency represents the exact analytic description for the axially vibrating truly nonlinear clamped-free rod. The procedure suggested in this paper is applied for calculation of the frequency of the longissimus dorsi muscle of a cow. The influence of elasticity order and elasticity coefficient on the frequency property is tested.

  10. Nonlinear frequency response based adaptive vibration controller design for a class of nonlinear systems

    NASA Astrophysics Data System (ADS)

    Thenozhi, Suresh; Tang, Yu

    2018-01-01

    Frequency response functions (FRF) are often used in the vibration controller design problems of mechanical systems. Unlike linear systems, the FRF derivation for nonlinear systems is not trivial due to their complex behaviors. To address this issue, the convergence property of nonlinear systems can be studied using convergence analysis. For a class of time-invariant nonlinear systems termed as convergent systems, the nonlinear FRF can be obtained. The present paper proposes a nonlinear FRF based adaptive vibration controller design for a mechanical system with cubic damping nonlinearity and a satellite system. Here the controller gains are tuned such that a desired closed-loop frequency response for a band of harmonic excitations is achieved. Unlike the system with cubic damping, the satellite system is not convergent, therefore an additional controller is utilized to achieve the convergence property. Finally, numerical examples are provided to illustrate the effectiveness of the proposed controller.

  11. Modal analysis of 2-D sedimentary basin from frequency domain decomposition of ambient vibration array recordings

    NASA Astrophysics Data System (ADS)

    Poggi, Valerio; Ermert, Laura; Burjanek, Jan; Michel, Clotaire; Fäh, Donat

    2015-01-01

    Frequency domain decomposition (FDD) is a well-established spectral technique used in civil engineering to analyse and monitor the modal response of buildings and structures. The method is based on singular value decomposition of the cross-power spectral density matrix from simultaneous array recordings of ambient vibrations. This method is advantageous to retrieve not only the resonance frequencies of the investigated structure, but also the corresponding modal shapes without the need for an absolute reference. This is an important piece of information, which can be used to validate the consistency of numerical models and analytical solutions. We apply this approach using advanced signal processing to evaluate the resonance characteristics of 2-D Alpine sedimentary valleys. In this study, we present the results obtained at Martigny, in the Rhône valley (Switzerland). For the analysis, we use 2 hr of ambient vibration recordings from a linear seismic array deployed perpendicularly to the valley axis. Only the horizontal-axial direction (SH) of the ground motion is considered. Using the FDD method, six separate resonant frequencies are retrieved together with their corresponding modal shapes. We compare the mode shapes with results from classical standard spectral ratios and numerical simulations of ambient vibration recordings.

  12. On the spectroscopic constants, first electronic state, vibrational frequencies, and isomerization of hydroxymethylene (HCOH+)

    NASA Astrophysics Data System (ADS)

    Theis, Riley A.; Fortenberry, Ryan C.

    2017-09-01

    The hydroxymethylene cation (HCOH+) is believed to be chemically independent of the more stable formaldehyde cation isomer in interstellar chemistry and may likely be a precursor to methanol in chemical reaction networks. Previous work is corroborated here showing that the trans conformer of HCOH+ is 3.48 kcal/mol lower than the cis on the potential energy surface. The small energy difference between the conformers and the much larger dipole moment of cis-HCOH+ (2.73 D) make this conformer more likely to be observed than trans-HCOH+ via telescopic rotational spectroscopy. A strong adiabatic shift is also predicted in the first electronic excitation into the 1 2A‧‧/2 2A state out of either conformer into a C1 structure reducing the excitation wavelength from the near-ultraviolet all the way into the near-infrared. The full set of fundamental vibrational frequencies are also computed here at high-level. The 3306.0 cm-1 and 3225.3 cm-1 hydroxide stretches, respective of bare trans- and cis-HCOH+ , are in agreement with previous theory but are significantly higher than the frequencies determined from previous experiment utilizing argon tagging techniques. This shift is likely because the proton-bound complex created with the argon tag reduces the experimental frequencies. Lower-level computations including the argon tag bring the hydroxide stretches much closer to the experimental frequencies indicating that the predicted frequencies for bare HCOH+ are likely well-described.

  13. Direct measurement of additional Ar-H2O vibration-rotation-tunneling bands in the millimeter-submillimeter range

    NASA Astrophysics Data System (ADS)

    Zou, Luyao; Widicus Weaver, Susanna L.

    2016-06-01

    Three new weak bands of the Ar-H2O vibration-rotation-tunneling spectrum have been measured in the millimeter wavelength range. These bands were predicted from combination differences based on previously measured bands in the submillimeter region. Two previously reported submillimeter bands were also remeasured with higher frequency resolution. These new measurements allow us to obtain accurate information on the Coriolis interaction between the 101 and 110 states. Here we report these results and the associated improved molecular constants.

  14. MEASUREMENT OF SMALL MECHANICAL VIBRATIONS OF BRAIN TISSUE EXPOSED TO EXTREMELY-LOW-FREQUENCY ELECTRIC FIELDS

    EPA Science Inventory

    Electromagnetic fields can interact with biological tissue both electrically and mechanically. This study investigated the mechanical interaction between brain tissue and an extremely-low-frequency (ELF) electric field by measuring the resultant vibrational amplitude. The exposur...

  15. The intermolecular vibrations of the water dimer

    NASA Astrophysics Data System (ADS)

    Braly, Linda Beth

    Terahertz laser spectra of water dimer intermolecular vibrations have yielded four (D2O)2 VRT bands (one previously published) and five (H2O)2 VRT bands measured with ca. 1 MHz precision and assigned between 65 and 142 cm-1. The results differ both qualitatively and quantitatively from the predictions of popular, effective pair potentials tested. The spectra also reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by a normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as between different vibrations. In particular the 102.1 cm-1 (H2O) 2 band assigned as the acceptor wag has two types of perturbations. The first perturbation involves coupling of two of the tunneling components between the Ka = 0 and 1 levels similar to that occurring in ground state between Ka = 0 and 1 levels. This is treated with an effective Coriolis coupling constant. These seconded perturbation involves one tunneling component with Ka = 1 coupling with a tunneling component with Ka = 0 of the 108 cm-1 acceptor twist vibration. A more detailed Coriolis coupling scheme is required to deperturb these states. Also it is indicated that the 103.1 cm-1 (H2O) 2 band assigned as the donor in-plane bend is coupled to the acceptor wag resulting in a lowering of the in-plane bend frequency and raising the acceptor wag frequency. In addition the 141 cm-1 (H2O)2 band shows perturbations which could not be. resolved at this time. And the 83 cm-1 (acceptor wag) and 90 cm-1 (D2O)2 (acceptor twist) band are perturbing one another through a Coriolis interaction. A subset of the (D2O)2 data have been used in an ongoing effort to determine an accurate IPS via least-squares fitting to an analytical form. The results from the most recent fit which produced VRT(ASP- W)II are presented and compared with the experimental data. The IPS was used to calculate the eigenstates of the water dimer

  16. Vibrational Spectroscopy of Ions and Radicals Present in the Interstellar Medium and in Planetary Atmospheres: A Theoretical Study

    NASA Technical Reports Server (NTRS)

    Chaban, Galina M.

    2004-01-01

    Anharmonic vibrational frequencies and intensities are calculated for OH(H2O)n and H(H2O)n radicals (that form on icy particles of the interstellar medium), HCO radical (the main intermediate in the synthesis of organic molecules in space), NH2(-) and C2H(-) anions, H5(+) cation, and other systems relevant to interstellar chemistry. In addition to pure ions and radicals, their complexes with water are studied to assess the effects of water environment on infrared spectra. The calculations are performed using the correlation-corrected vibrational self-consistent field (CC-VSCF) method with ab initio potential surfaces at the MP2 and CCSD(T) levels. Fundamental, overtone, and combination excitations are computed. The results are in good agreement with available experimental data and provide reliable predictions for vibrational excitations not yet measured in laboratory experiments. The data should be useful for interpretation of astronomically observed spectra and identification of ions and radicals present in the interstellar medium and in planetary atmospheres.

  17. Investigating vibrational relaxation in cyanide-bridged transition metal mixed-valence complexes using two-dimensional infrared and infrared pump-probe spectroscopies

    PubMed Central

    Slenkamp, Karla M.; Lynch, Michael S.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira

    2016-01-01

    Using polarization-selective two-dimensional infrared (2D IR) and infrared pump-probe spectroscopies, we study vibrational relaxation of the four cyanide stretching (νCN) vibrations found in [(NH3)5RuIIINCFeII(CN)5]− (FeRu) dissolved in D2O or formamide and [(NC)5FeIICNPtIV(NH3)4NCFeII(CN)5]4− (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as models for understanding the role high frequency vibrational modes play in metal-to-metal charge transfers over a bridging ligand. However, there is currently little information about vibrational relaxation and dephasing dynamics of the anharmonically coupled νCN modes in the electronic ground state of these complexes. IR pump-probe experiments reveal that the vibrational lifetimes of the νCN modes are ∼2 times faster when FeRu is dissolved in D2O versus formamide. They also reveal that the vibrational lifetimes of the νCN modes of FePtFe in D2O are almost four times as long as for FeRu in D2O. Combined with mode-specific relaxation dynamics measured from the 2D IR experiments, the IR pump-probe experiments also reveal that intramolecular vibrational relaxation is occurring in all three systems on ∼1 ps timescale. Center line slope dynamics, which have been shown to be a measure of the frequency-frequency correlation function, reveal that the radial, axial, and trans νCN modes exhibit a ∼3 ps timescale for frequency fluctuations. This timescale is attributed to the forming and breaking of hydrogen bonds between each mode and the solvent. The results presented here along with our previous work on FeRu and FePtFe reveal a picture of coupled anharmonic νCN modes where the spectral diffusion and vibrational relaxation dynamics depend on the spatial localization of the mode on the molecular complex and its specific interaction with the solvent. PMID:27158634

  18. Investigating vibrational relaxation in cyanide-bridged transition metal mixed-valence complexes using two-dimensional infrared and infrared pump-probe spectroscopies.

    PubMed

    Slenkamp, Karla M; Lynch, Michael S; Brookes, Jennifer F; Bannan, Caitlin C; Daifuku, Stephanie L; Khalil, Munira

    2016-03-01

    Using polarization-selective two-dimensional infrared (2D IR) and infrared pump-probe spectroscopies, we study vibrational relaxation of the four cyanide stretching (νCN) vibrations found in [(NH3)5Ru(III)NCFe(II)(CN)5](-) (FeRu) dissolved in D2O or formamide and [(NC)5Fe(II)CNPt(IV)(NH3)4NCFe(II)(CN)5](4-) (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as models for understanding the role high frequency vibrational modes play in metal-to-metal charge transfers over a bridging ligand. However, there is currently little information about vibrational relaxation and dephasing dynamics of the anharmonically coupled νCN modes in the electronic ground state of these complexes. IR pump-probe experiments reveal that the vibrational lifetimes of the νCN modes are ∼2 times faster when FeRu is dissolved in D2O versus formamide. They also reveal that the vibrational lifetimes of the νCN modes of FePtFe in D2O are almost four times as long as for FeRu in D2O. Combined with mode-specific relaxation dynamics measured from the 2D IR experiments, the IR pump-probe experiments also reveal that intramolecular vibrational relaxation is occurring in all three systems on ∼1 ps timescale. Center line slope dynamics, which have been shown to be a measure of the frequency-frequency correlation function, reveal that the radial, axial, and trans νCN modes exhibit a ∼3 ps timescale for frequency fluctuations. This timescale is attributed to the forming and breaking of hydrogen bonds between each mode and the solvent. The results presented here along with our previous work on FeRu and FePtFe reveal a picture of coupled anharmonic νCN modes where the spectral diffusion and vibrational relaxation dynamics depend on the spatial localization of the mode on the molecular complex and its specific interaction with the solvent.

  19. Effect of low-frequency mechanical vibration on orthodontic tooth movement.

    PubMed

    Yadav, Sumit; Dobie, Thomas; Assefnia, Amir; Gupta, Himank; Kalajzic, Zana; Nanda, Ravindra

    2015-09-01

    Our objective was to investigate the effect of low-frequency mechanical vibration (LFMV) on the rate of tooth movement, bone volume fraction, tissue density, and the integrity of the periodontal ligament. Our null hypothesis was that there would be no difference in the amount of tooth movement between different values of LFMV. Sixty-four male CD1 mice, 12 weeks old, were used for orthodontic tooth movement. The mice were randomly divided into 2 groups: control groups (baseline; no spring + 5 Hz; no spring + 10 Hz; and no spring + 20 Hz) and experimental groups (spring + no vibration; spring + 5 Hz; spring + 10 Hz; and spring + 20 Hz). In the experimental groups, the first molars were moved mesially for 2 weeks using nickel-titanium coil springs delivering 10 g of force. In the control and experimental groups, LFMV was applied at 5, 10, or 20 Hz. Microfocus x-ray computed tomography analysis was used for tooth movement measurements, bone volume fraction, and tissue density. Additionally, immunostaining for sclerostin, tartrate-resistant acid phosphatase (TRAP) staining, and picrosirius red staining were used on the histologic sections. Simple descriptive statistics were used to summarize the data. Kruskal-Wallis tests were used to compare the outcomes across treatment groups. LFMV did not increase the rate of orthodontic tooth movement. Microfocus x-ray computed tomography analysis showed increases in bone volume fractions and tissue densities with applications of LFMV. Sclerostin expression was decreased with 10 and 20 Hz vibrations in both the control and experimental groups. Additionally, the picrosirius staining showed that LFMV helped in maintaining the thickness and integrity of collagen fibers in the periodontal ligament. There was no significant increase in tooth movement by applying LFMV when compared with the control groups (spring + no vibration). Copyright © 2015 American Association of Orthodontists. Published by Elsevier Inc. All rights reserved.

  20. High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT.

    PubMed

    Pelmenschikov, Vladimir; Gee, Leland B; Wang, Hongxin; MacLeod, K Cory; McWilliams, Sean F; Skubi, Kazimer L; Cramer, Stephen P; Holland, Patrick L

    2018-05-30

    High-spin iron species with bridging hydrides have been detected in species trapped during nitrogenase catalysis, but there are few general methods of evaluating Fe-H bonds in high-spin multinuclear iron systems. An 57 Fe nuclear resonance vibrational spectroscopy (NRVS) study on an Fe(μ-H) 2 Fe model complex reveals Fe-H stretching vibrations for bridging hydrides at frequencies greater than 1200 cm -1 . These isotope-sensitive vibrational bands are not evident in infrared (IR) spectra, showing the power of NRVS for identifying hydrides in this high-spin iron system. Complementary density functional theory (DFT) calculations elucidate the normal modes of the rhomboidal iron hydride core. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Measurement and Simulation of Low Frequency Impulse Noise and Ground Vibration from Airblasts

    NASA Astrophysics Data System (ADS)

    Hole, L. R.; Kaynia, A. M.; Madshus, C.

    1998-07-01

    This paper presents numerical simulations of low frequency ground vibration and dynamic overpressure in air using two different numerical models. Analysis is based on actual recordings during blast tests at Haslemoen test site in Norway in June 1994. It is attempted to use the collected airblast-induced overpressures and ground vibrations in order to asses the applicability of the two models. The first model is a computer code which is based on a global representation of ground and atmospheric layers, a so-called Fast Field Program (FFP). A viscoelastic and a poroelastic version of this model is used. The second model is a two-dimensionalmoving-loadformulation for the propagation of airblast over ground. The poroelastic FFP gives the most complete and realistic reproduction of the processes involved, including decay of peak overpressure amplitude and dominant frequency of signals with range. It turns out that themoving-loadformulation does not provide a complete description of the physics involved when the speed of sound in air is different from the ground wavespeeds.

  2. Vibration parameters affecting vibration-induced reflex muscle activity.

    PubMed

    Cidem, Muharrem; Karacan, Ilhan; Cakar, Halil Ibrahim; Cidem, Mehmet; Sebik, Oguz; Yilmaz, Gizem; Turker, Kemal Sitki; Karamehmetoglu, Safak Sahir

    2017-03-01

    To determine vibration parameters affecting the amplitude of the reflex activity of soleus muscle during low-amplitude whole-body vibration (WBV). This study was conducted on 19 participants. Vibration frequencies of 25, 30, 35, 40, 45, and 50 Hz were used. Surface electromyography, collision force between vibration platform and participant's heel measured using a force sensor, and acceleration measured using an accelerometer fixed to the vibration platform were simultaneously recorded. The collision force was the main independent predictor of electromyographic amplitude. The essential parameter of vibration affecting the amplitude of the reflex muscle activity is the collision force.

  3. Submillimeter vibrationally excited water emission from the peculiar red supergiant VY Canis Majoris

    NASA Astrophysics Data System (ADS)

    Menten, K. M.; Philipp, S. D.; Güsten, R.; Alcolea, J.; Polehampton, E. T.; Brünken, S.

    2006-08-01

    Context: .Vibrationally excited emission from the SiO and H2O molecules probes the innermost circumstellar envelopes of oxygen-rich red giant and supergiant stars. VY CMa is the most prolific known emission source in these molecules. Aims: .Observations were made to search for rotational lines in the lowest vibrationally excited state of H2O. Methods: .The APEX telescope was used for observations of H2O lines at frequencies around 300 GHz. Results: .Two vibrationally excited H2O lines were detected, a third one could not be found. In one of the lines we find evidence for weak maser action, similar to known (sub)millimeter ν2 = 1 lines. We find that the other line's intensity is consistent with thermal excitation by the circumstellar infrared radiation field. Several SiO lines were detected together with the H2O lines.

  4. Parametrization of the contribution of mono- and bidentate ligands on the symmetric C[triple bond]O stretching frequency of fac-[Re(CO)(3)](+) complexes.

    PubMed

    Zobi, Fabio

    2009-11-16

    A ligand parameter, IR(P)(L), is introduced in order to evaluate the effect that different monodentate and bidentate ligands have on the symmetric C[triple bond]O stretching frequency of octahedral d(6) fac-[Re(CO)(3)L(3)] complexes (L = mono- or bidentate ligand). The parameter is empirically derived by assuming that the electronic effect, or contribution, that any given ligand L will add to the fac-[ReCO(3)](+) core, in terms of the total observed energy of symmetric C[triple bond]O stretching frequency (nu(CO(obs))), is additive. The IR(P)(CO) (i.e., the IR(P) of carbon monoxide) is first defined as one-sixth that of the observed C[triple bond]O frequency (nu(CO(obs))) of [Re(CO)(6)](+). All subsequent IR(P)(L) parameters of fac-[Re(CO)(3)L(3)] complexes are derived from IR(P)(L) = (1)/(3)[nu(CO(obs)) - 3IR(P)(CO)]. The symmetric C[triple bond]O stretching frequency was selected for analysis by assuming that it alone describes the "average electronic environment" in the IR spectra of the complexes. The IR(P)(L) values for over 150 ligands are listed, and the validity of the model is tested against other octahedral d(6) fac-[M(CO)(3)L(3)] complexes (M = Mn, (99)Tc, and Ru) and cis-[Re(CO)(2)L(4)](+) species and by calculations at the density functional level of theory. The predicted symmetric C[triple bond]O stretching frequency (nu(CO(cal))) is given by nu(CO(cal)) = S(R)[ sum IR(P)(L)] + I(R), where S(R) and I(R) are constants that depend upon the metal, its oxidation state, and the number of CO ligands in its primary coordination sphere. A linear relationship between IR(P) values and the well-established ligand electrochemical parameter E(L) is found. From a purely thermodynamic point of view, it is suggested that ligands with high IR(P)(L) values should weaken the M-CO bond to a greater extent than ligands with low IR(P)(L) values. The significance of the results and the limitations of the model are discussed.

  5. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: Application to H2O, N2H+, NO2+, and C2H2

    NASA Astrophysics Data System (ADS)

    Huang, Xinchuan; Valeev, Edward F.; Lee, Timothy J.

    2010-12-01

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H2O, N2H+, NO2+, and C2H2 molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N2H+ where it is concluded that basis set extrapolation is still preferred. The differences for H2O and NO2+ are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C2H2, however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)R12, incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N2H+ and NO2+ were computed, including basis set extrapolation, core-correlation, scalar relativity, and higher

  6. First principles study of vibrational dynamics of ceria-titania hybrid clusters

    NASA Astrophysics Data System (ADS)

    Majid, Abdul; Bibi, Maryam

    2017-04-01

    Density functional theory based calculations were performed to study vibrational properties of ceria, titania, and ceria-titania hybrid clusters. The findings revealed the dominance of vibrations related to oxygen when compared to those of metallic atoms in the clusters. In case of hybrid cluster, the softening of normal modes related to exterior oxygen atoms in ceria and softening/hardening of high/low frequency modes related to titania dimmers are observed. The results calculated for monomers conform to symmetry predictions according to which three IR and three Raman active modes were detected for TiO2, whereas two IR active and one Raman active modes were observed for CeO2. The comparative analysis indicates that the hybrid cluster CeTiO4 contains simultaneous vibrational fingerprints of the component dimmers. The symmetry, nature of vibrations, IR and Raman activity, intensities, and atomic involvement in different modes of the clusters are described in detail. The study points to engineering of CeTiO4 to tailor its properties for technological visible region applications in photocatalytic and electrochemical devices.

  7. Observation of a new vibrational mode of (D{sub 2}O){sub 2} near 68 cm{sup {minus}1} using tunable far-infrared laser spectroscopy

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

    Cruzan, J.D.; Loeser, J.G.; Bitten, E.R.

    The authors have measured the far-infrared vibration-rotation-tunneling (VRT) spectrum of an intermolecular vibration of (D{sub 2}O){sub 2} near 68 cm{sup -1}. In addition, further transitions of the VRT band of (D{sub 2}O){sub 2} previously reported by Pugliano et al. have been observed. By considering symmetry restraints on the selection rules, these bands have been assigned to the out-of-plane H-bond torsional and in-plane acceptor wagging modes predicted by many theoretical calculations. The experimental-theoretical discrepancy in the measured frequencies of these bands indicates the importance of a fully coupled six-dimensional calculation of the dynamics for the water dimer.

  8. Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl-(H2O)2

    NASA Astrophysics Data System (ADS)

    Wormer, P. E. S.; Groenenboom, G. C.; van der Avoird, A.

    2001-08-01

    Quantum calculations of the vibration-rotation-tunneling (VRT) levels of the trimer HCl-(H2O)2 are presented. Two internal degrees of freedom are considered—the rotation angles of the two nonhydrogen-bonded (flipping) hydrogens in the complex—together with the overall rotation of the trimer in space. The kinetic energy expression of van der Avoird et al. [J. Chem. Phys. 105, 8034 (1996)] is used in a slightly modified form. The experimental microwave geometry of Kisiel et al. [J. Chem. Phys. 112, 5767 (2000)] served as input in the generation of a planar reference structure. The two-dimensional potential energy surface is generated ab initio by the iterative coupled-cluster method based on singly and doubly excited states with triply excited states included noniteratively [CCSD(T)]. Frequencies of vibrations and tunnel splittings are predicted for two isotopomers. The effect of the nonadditive three-body forces is considered and found to be important.

  9. [Effect of vibrational factors on the evaluation of whole-body vibrational intensity].

    PubMed

    Suzuki, H

    1997-12-01

    The aim of this study is to obtain basic data useful to evaluate the riding comfort of railway vehicles. The apparatus used in the present experiment made it possible to simulate various vibrations of railway vehicles. Twenty-two adult subjects participated in this experiment. They were exposed to lateral vibration with varying peak and root mean square (rms) accelerations and frequencies. The types and ranges of vibrations used in this experiment approximated to the typical vibrations of railway vehicles. The subjects were asked to rate the intensity of each vibration given to them successively, using the 7-step rating scale. Results indicated that both peak and rms accelerations significantly affected for the evaluation, although the effect of frequency was not significant. As for interactions, it was found that there were significant interacting effects between frequency and peak acceleration, between frequency and rms acceleration, and between peak and rms accelerations. It was also found that the relationship between the rms acceleration and the evaluated score changed with varying peak accelerations.

  10. Piezoelectric Instruments of High Natural Frequency Vibration Characteristics and Protection Against Interference by Mass Forces

    NASA Technical Reports Server (NTRS)

    Gohlka, Werner

    1943-01-01

    The exploration of the processes accompanying engine combustion demands quick-responding pressure-recording instruments, among which the piezoelectric type has found widespread use because of its especially propitious properties as vibration-recording instruments for high frequencies. Lacking appropriate test methods, the potential errors of piezoelectric recorders in dynamic measurements could only be estimated up to now. In the present report a test method is described by means of which the resonance curves of the piezoelectric pickup can be determined; hence an instrumental appraisal of the vibration characteristics of piezoelectric recorders is obtainable.

  11. Integrated and dispersed photon echo studies of nitrile stretching vibration of 4-cyanophenol in methanol.

    PubMed

    Ha, Jeong-Hyon; Lee, Kyung-Koo; Park, Kwang-Hee; Choi, Jun-Ho; Jeon, Seung-Joon; Cho, Minhaeng

    2009-05-28

    By means of integrated and dispersed IR photon echo measurement methods, the vibrational dynamics of C-N stretch modes in 4-cyanophenol and 4-cyanophenoxide in methanol is investigated. The vibrational frequency-frequency correlation function (FFCF) is retrieved from the integrated photon echo signals by assuming that the FFCF is described by two exponential functions with about 400 fs and a few picosecond components. The excited state lifetimes of the C-N stretch modes of neutral and anionic 4-cyanophenols are 1.45 and 0.91 ps, respectively, and the overtone anharmonic frequency shifts are 25 and 28 cm(-1). At short waiting times, a notable underdamped oscillation, which is attributed to a low-frequency intramolecular vibration coupled to the CN stretch, in the integrated and dispersed vibrational echo as well as transient grating signals was observed. The spectral bandwidths of IR absorption and dispersed vibrational echo spectra of the 4-cyanophenoxide are significantly larger than those of its neutral form, indicating that the strong interaction between phenoxide and methanol causes large frequency fluctuation and rapid population relaxation. The resonance effects in a paradisubstituted aromatic compound would be of interest in understanding the conjugation effects and their influences on chemical reactivity of various aromatic compounds in organic solvents.

  12. On the bonding mechanism of CO to Pt(111) and its effect on the vibrational frequency of chemisorbed CO

    NASA Astrophysics Data System (ADS)

    Illas, F.; Zurita, S.; Márquez, A. M.; Rubio, J.

    1997-04-01

    The chemisorption of CO on the atop site of Pt(111) has been simulated by a Pt4 cluster model. Ab initio self consistent field (SCF) and complete active space self consistent field (CASSCF) cluster model wave functions have been obtained for the electronic ground state. Likewise, ab initio SCF wavefunctions have been obtained for two other electronic states. The optimum geometry and vibrational frequencies of chemisorbed CO are reported for the three states. The interaction energy and vibrational shift of chemisorbed CO, with respect to free gas phase CO, have been analyzed for the three electronic states. This analysis is carried out by means of the constrained space orbital variation (CSOV) method. In all cases the bond is found to be dominated by σ donation and π back-donation, known as Blyholder's mechanism. This mechanism is further supported by SCF calculations on a larger, Pt13, cluster model. For both clusters, the CSOV analysis of the vibrational frequency definitely shows that, contrary to previous recent studies, a major contribution to the experimentally observed vibrational shift comes from the π back-donation mechanism. However, we found that, contrary to common belief, σ donation also acts to lower the CO frequency and not to increase it. Physical reasons for such unexpected behaviour are given.

  13. Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101 \\xAF 0) interface from a high-dimensional neural network potential

    NASA Astrophysics Data System (ADS)

    Quaranta, Vanessa; Hellström, Matti; Behler, Jörg; Kullgren, Jolla; Mitev, Pavlin D.; Hermansson, Kersti

    2018-06-01

    Unraveling the atomistic details of solid/liquid interfaces, e.g., by means of vibrational spectroscopy, is of vital importance in numerous applications, from electrochemistry to heterogeneous catalysis. Water-oxide interfaces represent a formidable challenge because a large variety of molecular and dissociated water species are present at the surface. Here, we present a comprehensive theoretical analysis of the anharmonic OH stretching vibrations at the water/ZnO(101 ¯ 0) interface as a prototypical case. Molecular dynamics simulations employing a reactive high-dimensional neural network potential based on density functional theory calculations have been used to sample the interfacial structures. In the second step, one-dimensional potential energy curves have been generated for a large number of configurations to solve the nuclear Schrödinger equation. We find that (i) the ZnO surface gives rise to OH frequency shifts up to a distance of about 4 Å from the surface; (ii) the spectrum contains a number of overlapping signals arising from different chemical species, with the frequencies decreasing in the order ν(adsorbed hydroxide) > ν(non-adsorbed water) > ν(surface hydroxide) > ν(adsorbed water); (iii) stretching frequencies are strongly influenced by the hydrogen bond pattern of these interfacial species. Finally, we have been able to identify substantial correlations between the stretching frequencies and hydrogen bond lengths for all species.

  14. Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.

    PubMed

    Shoba, D; Periandy, S; Karabacak, M; Ramalingam, S

    2011-12-01

    The FT-IR and FT-Raman vibrational spectra of 2,3-naphthalenediol (C(10)H(8)O(2)) have been recorded using Bruker IFS 66V spectrometer in the range of 4000-100 cm(-1) in solid phase. A detailed vibrational spectral analysis has been carried out and the assignments of the observed fundamental bands have been proposed on the basis of peak positions and relative intensities. The optimized molecular geometry and vibrational frequencies in the ground state are calculated by using the ab initio Hartree-Fock (HF) and DFT (LSDA and B3LYP) methods with 6-31+G(d,p) and 6-311+G(d,p) basis sets. There are three conformers, C1, C2 and C3 for this molecule. The computational results diagnose the most stable conformer of title molecule as the C1 form. The isotropic computational analysis showed good agreement with the experimental observations. Comparison of the fundamental vibrational frequencies with calculated results by HF and DFT methods. Comparison of the simulated spectra provides important information about the capability of computational method to describe the vibrational modes. A study on the electronic properties, such as absorption wavelengths, excitation energy, dipole moment and Frontier molecular orbital energies, are performed by time dependent DFT approach. The electronic structure and the assignment of the absorption bands in the electronic spectra of steady compounds are discussed. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. On the basis of the thermodynamic properties of the title compound at different temperatures have been calculated. The statistical thermodynamic properties (standard heat capacities, standard entropies, and standard enthalpy changes) and their correlations with temperature have been obtained from the theoretical vibrations. Crown Copyright © 2011. Published by Elsevier B.V. All rights reserved.

  15. Study of micro piezoelectric vibration generator with added mass and capacitance suitable for broadband vibration

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

    He, Qing, E-mail: hqng@163.com; Mao, Xinhua, E-mail: 30400414@qq.com; Chu, Dongliang, E-mail: 569256386@qq.com

    This study proposes an optimized frequency adjustment method that uses a micro-cantilever beam-based piezoelectric vibration generator based on a combination of added mass and capacitance. The most important concept of the proposed method is that the frequency adjustment process is divided into two steps: the first is a rough adjustment step that changes the size of the mass added at the end of cantilever to adjust the frequency in a large-scale and discontinuous manner; the second step is a continuous but short-range frequency adjustment via the adjustable added capacitance. Experimental results show that when the initial natural frequency of amore » micro piezoelectric vibration generator is 69.8 Hz, then this natural frequency can be adjusted to any value in the range from 54.2 Hz to 42.1 Hz using the combination of the added mass and the capacitance. This method simply and effectively matches a piezoelectric vibration generator’s natural frequency to the vibration source frequency.« less

  16. Structural, thermal, optical and dielectric studies of Dy3+: B2O3-ZnO-PbO-Na2O-CaO glasses for white LEDs application

    NASA Astrophysics Data System (ADS)

    Mohammed, Al-B. F. A.; Lakshminarayana, G.; Baki, S. O.; Halimah, M. K.; Kityk, I. V.; Mahdi, M. A.

    2017-11-01

    Dy3+-doped borate glasses with nominal composition (60-x) B2O3-10 ZnO-10 PbO-10 Na2O-10 CaO-(x) Dy2O3 (x = 0, 0.1, 0.2, 0.5, 0.75, 1.0, 1.5 and 2.0 mol%) were prepared by the melt quenching technique. The XRD and SEM confirm the amorphous nature of the glasses and through EDAX, all the related elements were found in the synthesized glasses. The vibrations of metal cations such as Pb2+ and Zn2+, B-O-B bond bending vibrations from pentaborate groups, bending vibrations of BO3 triangles, and stretching vibrations of tetrahedral BO4- units etc. are identified from the respective FTIR and Raman spectra including the non-hygroscopic nature of the synthesized glasses. The TGA and DSC measurements were performed to study thermal properties, where ΔT >100 °C (ΔT = Tx - Tg) for all the glasses. Among all the Dy3+-doped glasses, the 0.75 mol% Dy3+-doped glass shows the highest PL intensity with four emissions, where the two transitions corresponding to 4F9/2 → 6H15/2 (blue) and 4F9/2 → 6H13/2 (yellow) are observed more intense than the others. The CIE chromaticity (x,y) coordinates for BZPNCDy 0.1 mol% glass are (0.398, 0.430), close to the white light region in the CIE 1931 chromaticity diagram. The dielectric properties of the 0.75 mol% Dy3+-doped glass such as dielectric constant, dielectric loss and AC conductivity were studied in the various frequencies and temperature.

  17. Measurement of correlations between low-frequency vibrational modes and particle rearrangements in quasi-two-dimensional colloidal glasses.

    PubMed

    Chen, Ke; Manning, M L; Yunker, Peter J; Ellenbroek, Wouter G; Zhang, Zexin; Liu, Andrea J; Yodh, A G

    2011-09-02

    We investigate correlations between low-frequency vibrational modes and rearrangements in two-dimensional colloidal glasses composed of thermosensitive microgel particles, which readily permit variation of the sample packing fraction. At each packing fraction, the particle displacement covariance matrix is measured and used to extract the vibrational spectrum of the "shadow" colloidal glass (i.e., the particle network with the same geometry and interactions as the sample colloid but absent damping). Rearrangements are induced by successive, small reductions in the packing fraction. The experimental results suggest that low-frequency quasilocalized phonon modes in colloidal glasses, i.e., modes that present low energy barriers for system rearrangements, are spatially correlated with rearrangements in this thermal system.

  18. Effect of low-magnitude, high-frequency vibration on osteogenic differentiation of rat mesenchymal stromal cells

    PubMed Central

    Lau, Esther; Lee, Whitaik David; Li, Jason; Xiao, Andrew; Davies, John E.; Wu, Qianhong; Wang, Liyun; You, Lidan

    2011-01-01

    Whole body vibration (WBV), consisting of a low-magnitude, high-frequency (LMHF) signal, has been found to be anabolic to bone in vivo, which may act through alteration of the lineage commitment of mesenchymal stromal cells (MSC). Here, we investigated the effect of LMHF vibration on rat bone marrow-derived MSCs (rMSCs) in an in vitro system. We subjected rMSCs to repeated (six) bouts of 1-hour vibration at 0.3g and 60 Hz in the presence of osteogenic induction medium. The osteogenic differentiation of rMSCs under the loaded and non-loaded conditions was assessed by examining cell proliferation, alkaline phosphatase (ALP) activity, mRNA expression of various osteoblast-associated markers (ALP, Runx2, osterix, collagen type I alpha 1, bone sialoprotein, osteopontin, and osteocalcin), as well as matrix mineralization. We observed that LMHF vibration did not enhance the osteogenic differentiation of rMSCs. Surprisingly, we found that the mRNA level of osterix, a transcription factor necessary for osteoblast formation, was decreased, and matrix mineralization was inhibited. Our findings suggest that LMHF vibration may exert its anabolic effects in vivo via mechanosensing of a cell type different from MSCs. PMID:21344497

  19. Effect of low-magnitude, high-frequency vibration on osteogenic differentiation of rat mesenchymal stromal cells.

    PubMed

    Lau, Esther; Lee, W David; Li, Jason; Xiao, Andrew; Davies, John E; Wu, Qianhong; Wang, Liyun; You, Lidan

    2011-07-01

    Whole body vibration (WBV), consisting of a low-magnitude, high-frequency (LMHF) signal, is anabolic to bone in vivo and may act through alteration of the lineage commitment of mesenchymal stromal cells (MSC). We investigated the effect of LMHF vibration on rat bone marrow-derived MSCs (rMSCs) in an in vitro system. We subjected rMSCs to repeated (six) bouts of 1-h vibration at 0.3g and 60 Hz in the presence of osteogenic (OS) induction medium. The OS differentiation of rMSCs under the loaded and non-loaded conditions was assessed by examining cell proliferation, alkaline phosphatase (ALP) activity, mRNA expression of various osteoblast-associated markers [ALP, Runx2, osterix (Osx), collagen type I alpha 1 (COL1A1), bone sialoprotein (BSP), osteopontin (OPN), and osteocalcin (OCN)], and matrix mineralization. LMHF vibration did not enhance the OS differentiation of rMSCs. Surprisingly, the mRNA level of Osx, a transcription factor necessary for osteoblast formation, was decreased, and matrix mineralization was inhibited. Our findings suggest that LMHF vibration may exert its anabolic effects in vivo via mechanosensing of a cell type different from MSCs. Copyright © 2011 Orthopaedic Research Society.

  20. The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan C.; Crawford, T. Daniel; Lee, Timothy J.

    2013-01-01

    The A\\ ^1B_1 \\leftarrow \\tilde{X}\\ ^1A^{\\prime } excitation into the dipole-bound state of the cyanomethyl anion (CH2CN-) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for \\tilde{X}\\ ^1A^{\\prime } CH2CN- in order to assist in laboratory studies and astronomical observations.

  1. Fingers' vibration transmission and grip strength preservation performance of vibration reducing gloves.

    PubMed

    Hamouda, K; Rakheja, S; Dewangan, K N; Marcotte, P

    2018-01-01

    The vibration isolation performances of vibration reducing (VR) gloves are invariably assessed in terms of power tools' handle vibration transmission to the palm of the hand using the method described in ISO 10819 (2013), while the nature of vibration transmitted to the fingers is ignored. Moreover, the VR gloves with relatively low stiffness viscoelastic materials affect the grip strength in an adverse manner. This study is aimed at performance assessments of 12 different VR gloves on the basis of handle vibration transmission to the palm and the fingers of the gloved hand, together with reduction in the grip strength. The gloves included 3 different air bladder, 3 gel, 3 hybrid, and 2 gel-foam gloves in addition to a leather glove. Two Velcro finger adapters, each instrumented with a three-axis accelerometer, were used to measure vibration responses of the index and middle fingers near the mid-phalanges. Vibration transmitted to the palm was measured using the standardized palm adapter. The vibration transmissibility responses of the VR gloves were measured in the laboratory using the instrumented cylindrical handle, also described in the standard, mounted on a vibration exciter. A total of 12 healthy male subjects participated in the study. The instrumented handle was also used to measure grip strength of the subjects with and without the VR gloves. The results of the study showed that the VR gloves, with only a few exceptions, attenuate handle vibration transmitted to the fingers only in the 10-200 Hz and amplify middle finger vibration at frequencies exceeding 200 Hz. Many of the gloves, however, provided considerable reduction in vibration transmitted to the palm, especially at higher frequencies. These suggest that the characteristics of vibration transmitted to fingers differ considerably from those at the palm. Four of the test gloves satisfied the screening criteria of the ISO 10819 (2013) based on the palm vibration alone, even though these caused

  2. [Dynamics of vegetative indicators induced by low-frequency magnetotherapy and EHF-puncture in hypertensive workers exposed to vibration].

    PubMed

    Drobyshev, V A; Efremov, A V; Loseva, M I; Sukharevskaia, T M; Michurin, A I

    2002-01-01

    Low-frequency magnetic fields and EHF-therapy have been used in correction of autonomic homeostasis in workers exposed to vibration for different periods of time. The workers suffered from early arterial hypertension. Vegetative status and central hemodynamics improved best in workers exposed to vibration for less than 5 years. If the exposure was 6-15 years, a positive trend occurred in the tension of regulatory mechanisms. Workers with long exposure to vibration suffering from vagotonia showed an inadequate response of the autonomic parameters to treatment. This necessitates enhancement of therapeutic measures with medicines.

  3. Attitudes Toward, and Use of, Vibrators in China.

    PubMed

    Jing, Shen; Lay, Alixe; Weis, Laura; Furnham, Adrian

    2018-01-02

    The current study examined the relationship between traditional masculine traits and attitudes toward vibrator use, actual vibrator use, and frequency of vibrator use in China. In all, 235 Chinese females aged between 16 and 58 years completed a questionnaire regarding attitudes toward, and personal use of, vibrators. The results showed a positive association between masculine traits and attitudes toward women's vibrator use, attitudes toward vibrator use and actual vibrator use, as well as frequency of vibrator use. The findings revealed an indirect path in which masculinity influences actual and frequency of vibrator use through attitudes toward women's vibrator use. Limitations and implications of the study are discussed.

  4. Precise Millimeter-Wave Laboratory Frequencies for CS and C34S

    NASA Astrophysics Data System (ADS)

    Gottlieb, C. A.; Myers, P. C.; Thaddeus, P.

    2003-05-01

    Nine successive rotational lines in the ground vibrational state of CS and C34S between 96 GHz (J=2-1) and 500 GHz (10-9) were measured in the laboratory to an accuracy of a few kHz. When our measurements are combined with the submillimeter-wave measurements of Ahrens & Winnewisser, the entire rotational spectrum of both isotopic species is predicted to an accuracy of about 1 part in 108 up to 500 GHz and 5 parts in 108 near 1000 GHz. These frequencies should be useful for quantitative studies of cloud core collapse and star formation in the millimeter- and submillimeter-wave bands.

  5. On the contribution of vibrational anharmonicity to the binding energies of water clusters.

    PubMed

    Diri, Kadir; Myshakin, Evgeniy M; Jordan, Kenneth D

    2005-05-05

    The second-order vibrational perturbation theory method has been used together with the B3LYP and MP2 electronic structure methods to investigate the effects of anharmonicity on the vibrational zero-point energy (ZPE) contributions to the binding energies of (H2O)n, n = 2-6, clusters. For the low-lying isomers of (H2O)6, the anharmonicity correction to the binding energy is calculated to range from -248 to -355 cm(-1). It is also demonstrated that although high-order electron correlation effects are important for the individual vibrational frequencies, they are relatively unimportant for the net ZPE contributions to the binding energies of water clusters.

  6. Extending the Local Mode Hamiltonian Into the Condensed Phase: Using Vibrational Sum Frequency Generation to Study the Benzene-Air Interface

    NASA Astrophysics Data System (ADS)

    Johnson, Britta; Sibert, Edwin

    2017-06-01

    Surfaces and interfaces play an important role in understanding many chemical process; they also contain molecular configurations and vibrations that are unique compared to those seen in the bulk and gas phases. Sum frequency generated (SFG) vibrational spectroscopy provides an incredibly detailed picture of these interfaces. In particular, the CH stretch region of the spectrum contains an extensive degree of information about the molecular vibrations and arrangements at the surface or interface. The presence of a strong bandwidth SFG signal for the benzene/air interface has generated controversy since it was discovered; since benzene is centrosymmetric, no SFG signal is expected. It has been hypothesized that this signal is primarily a result of bulk contributions that results from electric quadrupole transitions. Our work focuses on testing this conclusion by calculating a theoretical VSF spectrum from pure surface contributions using a mixed quantum/classical local mode Hamiltonian. We take as a starting point our local mode CH/OH stretch Hamiltonian, that was previously used to study alkylbenzenes, benzene-(H_2O)_n, and DPOE-water clusters, and extend it to the condensed phase by including shifts in the intensities and frequencies as a function of the environment. This environment is modeled using a SAPT-based force-field that accurately reproduces the quadrupole for the benzene dimer. A series of independent time-dependent trajectories are used to obtain an ensemble of surface configurations and calculate the appropriate correlation functions. These correlations functions allow us to determine the origins of the VSF signal. Our talk will focus on the challenges of extending our local mode Hamiltonian into the condensed phase.

  7. Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H-

    NASA Astrophysics Data System (ADS)

    Bassett, Matthew K.; Fortenberry, Ryan C.

    2017-06-01

    The C3H radical is believed to be prevalent throughout the interstellar medium and may be involved in the formation of polycyclic aromatic hydrocarbons. C3H exists as both a linear and a cyclic isomer. The C2 v cyclopropenylidenyl radical isomer was detected in the dark molecular cloud TMC-1, and the linear propenylidenyl radical isomer has been observed in various dark molecular clouds. Even though the c-C3H radical has been classified rotationally, the vibrational frequencies of this seemingly important interstellar molecule have never been directly observed. Established, highly accurate quartic force field methodologies are employed here to compute useful geometrical data, spectroscopic constants, and vibrational frequencies. The computed rotational constants are consistent with the experimental results. Consequently, the three a1 (ν1, ν2, and ν3) and one b1 (ν6) anharmonic vibrational frequencies at 3117.7 cm-1, 1564.3 cm-1, 1198.5 cm-1, and 826.7 cm-1, respectively, are reliable predictions for these, as of yet unseen, observables. Unfortunately, the two b2 fundamentals (ν4 and ν5) cannot be treated adequately in the current approach due to a flat and possible double-well potential described in detail herein. The dipole-bound excited state of the anion suffers from the same issues and may not even be bound. However, the trusted fundamental vibrational frequencies described for the neutral radical should not be affected by this deformity and are the first robustly produced for c-C3H. The insights gained here will also be applicable to other structures containing three-membered bare and exposed carbon rings that are surprisingly floppy in nature.

  8. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil.

    PubMed

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2014-06-05

    In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400cm(-1)) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the NH stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular NH⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

    NASA Astrophysics Data System (ADS)

    Çırak, Çağrı; Sert, Yusuf; Ucun, Fatih

    2014-06-01

    In the present work, the experimental and theoretical vibrational spectra of 5-hydroxymethyluracil were investigated. The FT-IR (4000-400 cm-1) spectrum of the molecule in the solid phase was recorded. The geometric parameters (bond lengths and bond angles), vibrational frequencies, Infrared intensities of the title molecule in the ground state were calculated using density functional B3LYP and M06-2X methods with the 6-311++G(d,p) basis set for the first time. The optimized geometric parameters and theoretical vibrational frequencies were found to be in good agreement with the corresponding experimental data, and with the results found in the literature. The vibrational frequencies were assigned based on the potential energy distribution using the VEDA 4 program. The dimeric form of 5-hydroxymethyluracil molecule was also simulated to evaluate the effect of intermolecular hydrogen bonding on its vibrational frequencies. It was observed that the Nsbnd H stretching modes shifted to lower frequencies, while its in-plane and out-of-plane bending modes shifted to higher frequencies due to the intermolecular Nsbnd H⋯O hydrogen bond. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies and diagrams were presented.

  10. Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework

    NASA Astrophysics Data System (ADS)

    Ryder, Matthew R.; Van de Voorde, Ben; Civalleri, Bartolomeo; Bennett, Thomas D.; Mukhopadhyay, Sanghamitra; Cinque, Gianfelice; Fernandez-Alonso, Felix; De Vos, Dirk; Rudić, Svemir; Tan, Jin-Chong

    2017-06-01

    We show clear experimental evidence of cooperative terahertz (THz) dynamics observed below 3 THz (˜100 cm-1 ), for a low-symmetry Zr-based metal-organic framework structure, termed MIL-140A [ZrO (O2C-C 6H4-CO2) ]. Utilizing a combination of high-resolution inelastic neutron scattering and synchrotron radiation far-infrared spectroscopy, we measured low-energy vibrations originating from the hindered rotations of organic linkers, whose energy barriers and detailed dynamics have been elucidated via ab initio density functional theory calculations. The complex pore architecture caused by the THz rotations has been characterized. We discovered an array of soft modes with trampolinelike motions, which could potentially be the source of anomalous mechanical phenomena such as negative thermal expansion. Our results demonstrate coordinated shear dynamics (2.47 THz), a mechanism which we have shown to destabilize the framework structure, in the exact crystallographic direction of the minimum shear modulus (Gmin ).

  11. Thermochemistry and kinetics for 2-butanone-1-yl radical (CH2·C(═O)CH2CH3) reactions with O2.

    PubMed

    Sebbar, N; Bozzelli, J W; Bockhorn, H

    2014-01-09

    Thermochemistry of reactants, intermediates, transition state structures, and products along with kinetics on the association of CH2·C(═O)CH2CH3 (2-butanone-1-yl) with O2 and dissociation of the peroxy adduct isomers are studied. Thermochemical properties are determined using ab initio (G3MP2B3 and G3) composite methods along with density functional theory (B3LYP/6-311g(d,p)). Entropy and heat capacity contributions versus temperature are determined from structures, vibration frequencies, and internal rotor potentials. The CH2·C(═O)CH2CH3 radical + O2 association results in a chemically activated peroxy radical with 27 kcal mol(-1) excess of energy. The chemically activated adduct can react to stabilized peroxy or hydroperoxide alkyl radical adducts, further react to lactones plus hydroxyl radical, or form olefinic ketones and a hydroperoxy radical. Kinetic parameters are determined from the G3 composite methods derived thermochemical parameters, and quantum Rice-Ramsperger-Kassel (QRRK) analysis to calculate k(E) with master equation analysis to evaluate falloff in the chemically activated and dissociation reactions. One new, not previously reported, peroxy chemistry reaction is presented. It has a low barrier path and involves a concerted reaction resulting in olefin formation, H2O elimination, and an alkoxy radical.

  12. SAW propagation characteristics of TeO3/3C-SiC/LiNbO3 layered structure

    NASA Astrophysics Data System (ADS)

    Soni, Namrata D.

    2018-04-01

    Surface acoustic wave (SAW) devices based on Lithium Niobate (LiNbO3) single crystal are advantageous because of its high SAW phase velocity, electromechanical coupling coefficient and cost effectiveness. In the present work a new multi-layered TeO3/3C-SiC/128° Y-X LiNbO3 SAW device has been proposed. SAW propagation properties such as phase velocity, coupling coefficient and temperature coefficient of delay (TCD) of the TeO3/SiC/128° Y-X LiNbO3 multi layered structure is examined using theoretical calculations. It is found that the integration of 0.09λ thick 3C-SiC over layer on 128° Y-X LiNbO3 increases its electromechanical coupling coefficient from 5.3% to 9.77% and SAW velocity from 3800 ms‑1 to 4394 ms‑1. The SiC/128° Y-X LiNbO3 bilayer SAW structure exhibits a high positive TCD value. A temperature stable layered SAW device could be obtained with introduction of 0.007λ TeO3 over layer on SiC/128° Y-X LiNbO3 bilayer structure without sacrificing the efficiency of the device. The proposed TeO3/3C-SiC/128° Y-X LiNbO3 multi-layered SAW structure is found to be cost effective, efficient, temperature stable and suitable for high frequency application in harsh environment.

  13. Frontside-micromachined planar piezoresistive vibration sensor: Evaluating performance in the low frequency test range

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

    Zhang, Lan; Lu, Jian, E-mail: jian-lu@aist.go.jp; Takagi, Hideki

    2014-01-15

    Using a surface piezoresistor diffusion method and front-side only micromachining process, a planar piezoresistive vibration sensor was successfully developed with a simple structure, lower processing cost and fewer packaging difficulties. The vibration sensor had a large sector proof mass attached to a narrow flexure. Optimization of the boron diffusion piezoresistor placed on the edge of the narrow flexure greatly improved the sensitivity. Planar vibration sensors were fabricated and measured in order to analyze the effects of the sensor dimensions on performance, including the values of flexure width and the included angle of the sector. Sensitivities of fabricated planar sensors ofmore » 0.09–0.46 mV/V/g were measured up to a test frequency of 60 Hz. The sensor functioned at low voltages (<3 V) and currents (<1 mA) with a high sensitivity and low drift. At low background noise levels, the sensor had performance comparable to a commercial device.« less

  14. Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates

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

    Miliordos, Evangelos; Xantheas, Sotiris S.

    We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson’s GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding numbermore » using double differentiation in Cartesian coordinates. For molecules of C 1 symmetry the computational savings in the energy calculations amount to 36N – 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. Finally, in all cases the frequencies based on internal coordinates differ on average by <1 cm –1 from those obtained from Cartesian coordinates.« less

  15. Development of a long-gauge vibration sensor

    NASA Astrophysics Data System (ADS)

    Kung, Peter; Comanici, Maria I.

    2014-06-01

    Recently, we found that by terminating a long length of fiber of up to 2 km with an in-fiber cavity structure, the entire structure can detect vibrations over a frequency range from 5 Hz to 100 Hz. We want to determine whether the structure (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to the maintenance cost. Similarly, it will help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that will require the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Then, at even higher frequencies, the structure can be useful to detect acoustic vibrations (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large re-enforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed long-gauge vibration sensor depends on packaging.

  16. Development of a long-gauge vibration sensor

    NASA Astrophysics Data System (ADS)

    Kung, Peter; Comanici, Maria I.; Li, Qian; Zhang, Yiwei

    2014-11-01

    Recently, we found that by terminating a long length of fiber of up to 1 km with an in-fiber cavity structure, the entire structure can detect vibrations over a frequency range from 5 Hz to 100 Hz. We want to determine whether the structure (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to the maintenance cost. Similarly, it will help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that will require the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Then, at even higher frequencies, the structure can be useful to detect acoustic vibrations (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large reenforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed long-gauge vibration sensor depends on packaging.

  17. Development of a long-gauge vibration sensor

    NASA Astrophysics Data System (ADS)

    Kung, Peter; Comanici, Maria I.; Li, Qian; Zhang, Yiwei

    2015-03-01

    We have recently found that a long length of fiber of up to 1 km terminated with an in-fiber cavity structure can detect vibrations over a frequency range from 5 Hz to 2 kHz. We want to determine whether the sensor (including packaging) can be optimized to detect vibrations at even higher frequencies. The structure can be used as a distributed vibration sensor mounted on large motors and other rotating machines to capture the entire frequency spectrum of the associated vibration signals, and therefore, replace the many accelerometers, which add to maintenance cost. The sensor may also help detect in-slot vibrations which cause intermittent contact leading to sparking under high voltages inside air-cooled generators. However, that requires the sensor to detect frequencies associated with vibration sparking, ranging from 6 kHz to 15 kHz. Acoustic vibration monitoring may need sensing at even higher frequencies (30 kHz to 150 kHz) associated with partial discharge (PD) in generators and transformers. Detecting lower frequencies in the range 2 Hz to 200 Hz makes the sensor suitable for seismic studies and falls well into the vibrations associated with rotating machines. Another application of interest is corrosion detection in large re-enforced concrete structures by inserting the sensor along a long hole drilled around structures showing signs of corrosion. The frequency response for the proposed longgauge vibration sensor depends on packaging.

  18. New thermochemical parameter for describing solvent effects on IR stretching vibration frequencies. Communication 2. Assessment of cooperativity effects.

    PubMed

    Solomonov, Boris N; Varfolomeev, Mikhail A; Novikov, Vladimir B; Klimovitskii, Alexander E

    2006-05-15

    Solvent effects on O-H stretching vibration frequency of methanol in hydrogen bond complexes with different bases, CH3OH...B, have been investigated by FTIR spectroscopy. Using chloroform as a solvent results in strengthening of CH3OH...B hydrogen bonding due to cooperativity between CH3OH...B and Cl3CH...CH3OH bonds. A method is proposed for quantifying the hydrogen bond cooperativity effect. The determined cooperativity factors take into account all specific interactions of the solute in proton-donor solvents. In addition, a method of estimation of cooperativity factors Ab and AOX in system (CH3OH)2...B is proposed. It is demonstrated that in such systems, the cooperativity factor of the OH...B bond decreases and that of the OH...O bond increases with increasing the acceptor strength of the base B. The obtained results are in a good agreement with the data obtained previously from matrix-isolation FTIR spectroscopy.

  19. Relationship Between Psychomotor Efficiency and Sensation Seeking of People Exposed to Noise and Low Frequency Vibration Stimuli

    NASA Astrophysics Data System (ADS)

    Korchut, Aleksander; Kowalska-Koczwara, Alicja; Romanska – Zapała, Anna; Stypula, Krzysztof

    2017-10-01

    At the workplace of the machine operator, low frequency whole body and hand- arm vibrations are observed. They occur together with noise. Whole body vibration in the range of 3-25 Hz are detrimental to the human body due to the location of the resonant frequency of large organs of the human body in this range. It can be assumed that for this reason people working every day in such conditions can have reduced working efficiency. The influence of low frequency vibration and noise on the human body leads to both physiological and functional changes. The result of the impact of noise and vibration stimuli depends largely on the specific characteristics of the objects, which include among other personality traits, temperament and emotional factor. The pilot study conducted in the laboratory was attended by 30 young men. The aim of the study was to look for correlations between the need for stimulation of the objects and their psychomotor efficiency in case of vibration exposure and vibration together with noise exposure in variable conditions task. The need for stimulation of the objects as defined in the study is based on theoretical assumptions of one dimensional model of temperament developed by Marvin Zuckerman. This theory defines the need for stimulation as the search for different, new, complex and intense sensations, as well as the willingness to take risks. The aim of research was to verify if from four factors such as: the search for adventure and horror, sensation seeking, disinhibition and susceptibility to boredom, we can choose the ones that in conjunction with varying operating conditions, may significantly determine the efficiency of the task situation. The objects performed the test evaluation of their motor skills which consisted in keeping the cursor controlled by a joystick through the path. The number of exceeds of the cursor beyond the path and its maximum deviation was recorded. The collected data were used to determine the correlation between the

  20. 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.

  1. Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry.

    PubMed

    Wang, G; Wu, K; Hu, H; Li, G; Wang, L J

    2016-10-01

    To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

  2. Ultra-low-frequency vertical vibration isolator based on a two-stage beam structure for absolute gravimetry

    NASA Astrophysics Data System (ADS)

    Wang, G.; Wu, K.; Hu, H.; Li, G.; Wang, L. J.

    2016-10-01

    To reduce seismic and environmental vibration noise, ultra-low-frequency vertical vibration isolation systems play an important role in absolute gravimetry. For this purpose, an isolator based on a two-stage beam structure is proposed and demonstrated. The isolator has a simpler and more robust structure than the present ultra-low-frequency vertical active vibration isolators. In the system, two beams are connected to a frame using flexural pivots. The upper beam is suspended from the frame with a normal hex spring and the lower beam is suspended from the upper one using a zero-length spring. The pivot of the upper beam is not vertically above the pivot of the lower beam. With this special design, the attachment points of the zero-length spring to the beams can be moved to adjust the effective stiffness. A photoelectric detector is used to detect the angle between the two beams, and a voice coil actuator attached to the upper beam is controlled by a feedback circuit to keep the angle at a fixed value. The system can achieve a natural period of 100 s by carefully moving the attachment points of the zero-length spring to the beams and tuning the feedback parameters. The system has been used as an inertial reference in the T-1 absolute gravimeter. The experiment results demonstrate that the system has significant vibration isolation performance that holds promise in applications such as absolute gravimeters.

  3. Ultra-low frequency vertical vibration isolator based on LaCoste spring linkage.

    PubMed

    Li, G; Hu, H; Wu, K; Wang, G; Wang, L J

    2014-10-01

    For the applications in precision measurement such as absolute gravimeter, we have designed and built an ultra-low frequency vertical vibration isolator based on LaCoste spring linkage. In the system, an arm with test mass is suspended by a mechanical extension spring, and one end of the arm is connected to the frame with flexible pivots. The displacement of the arm is detected by an optical reflection method. With the displacement signal, a feedback control force is exerted on the arm to keep it at the balance position. This method can also correct the systematic drift caused by temperature change. In order to study the vibration isolation performance of the system, we analyze the dynamic characteristics of the spring linkage in the general case, and present key methods to adjust the natural oscillating period of the system. With careful adjustment, the system can achieve a steady oscillation with a natural period up to 32 s. This isolator has been tested based on the T-1 absolute gravimeter. A statistical uncertainty of 2 μGal has been achieved within a typical 12 h measurement. The experimental results verify that the isolator has significant vibration isolation performance, and it is very suitable for applications in high precision absolute gravity measurement.

  4. Ultra-low frequency vertical vibration isolator based on LaCoste spring linkage

    NASA Astrophysics Data System (ADS)

    Li, G.; Hu, H.; Wu, K.; Wang, G.; Wang, L. J.

    2014-10-01

    For the applications in precision measurement such as absolute gravimeter, we have designed and built an ultra-low frequency vertical vibration isolator based on LaCoste spring linkage. In the system, an arm with test mass is suspended by a mechanical extension spring, and one end of the arm is connected to the frame with flexible pivots. The displacement of the arm is detected by an optical reflection method. With the displacement signal, a feedback control force is exerted on the arm to keep it at the balance position. This method can also correct the systematic drift caused by temperature change. In order to study the vibration isolation performance of the system, we analyze the dynamic characteristics of the spring linkage in the general case, and present key methods to adjust the natural oscillating period of the system. With careful adjustment, the system can achieve a steady oscillation with a natural period up to 32 s. This isolator has been tested based on the T-1 absolute gravimeter. A statistical uncertainty of 2 μGal has been achieved within a typical 12 h measurement. The experimental results verify that the isolator has significant vibration isolation performance, and it is very suitable for applications in high precision absolute gravity measurement.

  5. Experimental IR and Raman spectra and quantum chemical studies of molecular structures, conformers and vibrational characteristics of L-ascorbic acid and its anion and cation

    NASA Astrophysics Data System (ADS)

    Yadav, R. A.; Rani, P.; Kumar, M.; Singh, R.; Singh, Priyanka; Singh, N. P.

    2011-12-01

    IR and spectra of the L-ascorbic acid ( L-AA) also known as vitamin C have been recorded in the region 4000-50 cm -1. In order to make vibrational assignments of the observed IR and Raman bands computations were carried out by employing the RHF and DFT methods to calculate the molecular geometries and harmonic vibrational frequencies along with other related parameters for the neutral L-AA and its singly charged anionic ( L-AA -) and cationic ( L-AA +) species. Significant changes have been found for different characteristics of a number of vibrational modes. The four ν(O-H) modes of the L-AA molecule are found in the order ν(O 9-H 10) > ν(O 19-H 20) > ν(O 7-H 8) > ν(O 14-H 15) which could be due to complexity of hydrogen bonding in the lactone ring and the side chain. The C dbnd O stretching wavenumber ( ν46) decreases by 151 cm -1 in going from the neutral to the anionic species whereas it increases by 151 cm -1 in going from the anionic to the cationic species. The anionic radicals have less kinetic stabilities and high chemical reactivity as compared to the neutral molecule. It is found that the cationic radical of L-AA is kinetically least stable and chemically most reactive as compared to its neutral and anionic species.

  6. Direct observation of vibrational energy flow in cytochrome c.

    PubMed

    Fujii, Naoki; Mizuno, Misao; Mizutani, Yasuhisa

    2011-11-10

    Vibrational energy flow in ferric cytochrome c has been examined by picosecond time-resolved anti-Stokes ultraviolet resonance Raman (UVRR) measurements. By taking advantage of the extremely short nonradiative excited state lifetime of heme in the protein (< ps), excess vibrational energy of 20000-25000 cm(-1) was optically deposited selectively at the heme site. Subsequent energy relaxation in the protein moiety was investigated by monitoring the anti-Stokes UVRR intensities of the Trp59 residue, which is a single tryptophan residue involved in the protein that is located close to the heme group. It was found from temporal changes of the anti-Stokes UVRR intensities that the energy flow from the heme to Trp59 and the energy release from Trp59 took place with the time constants of 1-3 and ~8 ps, respectively. These data are consistent with the time constants for the vibrational relaxation of the heme and heating of water reported for hemeproteins. The kinetics of the energy flow were not affected by the amount of excess energy deposited at the heme group. These results demonstrate that the present technique is a powerful tool for studying the vibrational energy flow in proteins.

  7. Theory of the fundamental vibration-rotation-translation spectrum of H2 in a C60 lattice

    NASA Astrophysics Data System (ADS)

    Herman, Roger M.; Lewis, John Courtenay

    2006-04-01

    Calculations are presented for the fundamental vibration-rotation spectrum of H2 in fcc C60 (fullerite) lattices. The principal features are identified as lattice-shifted “vibration-rotation-translation” state absorption transitions. The level spacings of the H2 modes are calculated numerically for the potential function resulting from the summation of the individual C-H2 potentials for all C atoms in the six nearest neighbor C60 molecules. The potential is approximately separable in Cartesian coordinates, giving a very good approximation to exactly calculated translational energies for the lower levels. The positions and relative strengths of the individual transitions are calculated from the eigenfunctions for this separable potential. The line shapes are assumed to be Lorentzian, and the widths are chosen so as to give good fits to the DRIFT spectrum of FitzGerald [Phys. Rev. B 65, 140302(R) (2002)]. A theory of the C-H2 induced dipole moment is developed with which to calculate intensities. In order to fit the observed DRIFTS transition frequencies it is found necessary to take the overlap part of the C-H2 potential to be about 13% longer in range than the C-H2 potential in graphene. Furthermore, differences in the theoretical spectra obtained with a near-optimal exp-6 potential and near-optimal Lennard-Jones 12-6 potential are clearly evident, with the exp-6 potential giving a better fit to observation than the Lennard-Jones potential. Similarly, Lorentzian line shapes assumed for the individual transitions yield better agreement with observation than Gaussian line shapes.

  8. Non-equilibrium vibrational and chemical kinetics in shock heated carbon dioxide

    NASA Astrophysics Data System (ADS)

    Kosareva, A. A.

    2018-05-01

    The flows of CO2/CO/O2/O/C and CO2/CO/O mixtures behind shock waves are studied in the three-temperature, two-temperature and one-temperature approximations. The influence of the vibrational relaxation and chemical reactions on the flow composition, temperature and velocity is investigated. It is shown that the vibrational non-equilibrium has a significant effect on the macroscopic parameters of the flow near the front of the shock wave. It was found that the composition of the mixture has the greatest effect on the numerical density of CO molecules and O atoms. Also, significant differences between the values of the vibrational temperature of the asymmetric regime have been revealed.

  9. Vibration analyzer

    NASA Technical Reports Server (NTRS)

    Bozeman, Richard J., Jr. (Inventor)

    1990-01-01

    The invention relates to monitoring circuitry for the real time detection of vibrations of a predetermined frequency and which are greater than a predetermined magnitude. The circuitry produces an instability signal in response to such detection. The circuitry is particularly adapted for detecting instabilities in rocket thrusters, but may find application with other machines such as expensive rotating machinery, or turbines. The monitoring circuitry identifies when vibration signals are present having a predetermined frequency of a multi-frequency vibration signal which has an RMS energy level greater than a predetermined magnitude. It generates an instability signal only if such a vibration signal is identified. The circuitry includes a delay circuit which responds with an alarm signal only if the instability signal continues for a predetermined time period. When used with a rocket thruster, the alarm signal may be used to cut off the thruster if such thruster is being used in flight. If the circuitry is monitoring tests of the thruster, it generates signals to change the thruster operation, for example, from pulse mode to continuous firing to determine if the instability of the thruster is sustained once it is detected.

  10. Vibrational spectroscopic determination of local solvent electric field, solute-solvent electrostatic interaction energy, and their fluctuation amplitudes.

    PubMed

    Lee, Hochan; Lee, Gayeon; Jeon, Jonggu; Cho, Minhaeng

    2012-01-12

    IR probes have been extensively used to monitor local electrostatic and solvation dynamics. Particularly, their vibrational frequencies are highly sensitive to local solvent electric field around an IR probe. Here, we show that the experimentally measured vibrational frequency shifts can be inversely used to determine local electric potential distribution and solute-solvent electrostatic interaction energy. In addition, the upper limits of their fluctuation amplitudes are estimated by using the vibrational bandwidths. Applying this method to fully deuterated N-methylacetamide (NMA) in D(2)O and examining the solvatochromic effects on the amide I' and II' mode frequencies, we found that the solvent electric potential difference between O(═C) and D(-N) atoms of the peptide bond is about 5.4 V, and thus, the approximate solvent electric field produced by surrounding water molecules on the NMA is 172 MV/cm on average if the molecular geometry is taken into account. The solute-solvent electrostatic interaction energy is estimated to be -137 kJ/mol, by considering electric dipole-electric field interaction. Furthermore, their root-mean-square fluctuation amplitudes are as large as 1.6 V, 52 MV/cm, and 41 kJ/mol, respectively. We found that the water electric potential on a peptide bond is spatially nonhomogeneous and that the fluctuation in the electrostatic peptide-water interaction energy is about 10 times larger than the thermal energy at room temperature. This indicates that the peptide-solvent interactions are indeed important for the activation of chemical reactions in aqueous solution.

  11. Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy

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

    Zhang, Libing; Fu, Li; Wang, Hong-fei

    2017-03-14

    Significant questions remain with respect to the structure and polymorphs of cellulose. These include the cellulose surface layers and the bulk crystalline core as well as the conformational differences. The Total Internal Reflection Sum Frequency Generation Vibrational Spectroscopy (TIR-SFG-VS) combined with the conventional SFG-VS (non-TIR) can help to resolve these questions by selectively characterizing the molecular structures of surface layers and the crystalline core of cellulose. From the SFG spectra in the C-H and O-H regions, we found that the surface layers of Avicel are essentially amorphous; while the surface layers of Iβ cellulose are crystalline but with different structuralmore » and spectroscopic signatures than that of its crystalline core. This work demonstrates the capacity of TIR and Non-TIR SFG-VS tools in selectively studying the structures and polymorphs of cellulose. In addition, these results also suggest that the assignments of major vibrational peaks for cellulose need to be further determined.« less

  12. Vibration Propagation in Spider Webs

    NASA Astrophysics Data System (ADS)

    Hatton, Ross; Otto, Andrew; Elias, Damian

    Due to their poor eyesight, spiders rely on web vibrations for situational awareness. Web-borne vibrations are used to determine the location of prey, predators, and potential mates. The influence of web geometry and composition on web vibrations is important for understanding spider's behavior and ecology. Past studies on web vibrations have experimentally measured the frequency response of web geometries by removing threads from existing webs. The full influence of web structure and tension distribution on vibration transmission; however, has not been addressed in prior work. We have constructed physical artificial webs and computer models to better understand the effect of web structure on vibration transmission. These models provide insight into the propagation of vibrations through the webs, the frequency response of the bare web, and the influence of the spider's mass and stiffness on the vibration transmission patterns. Funded by NSF-1504428.

  13. Phase Acrobatics: The Influence of Excitonic Resonance and Gold Nonresonant Background on Heterodyne-Detected Vibrational Sum Frequency Generation Emission.

    PubMed

    Rich, Christopher C; Lindberg, Kathryn A; Krummel, Amber T

    2017-04-06

    We show how heterodyne-detected vibrational sum frequency generation (HD-VSFG) spectroscopy can discriminate between the excitonic and monomeric properties of a helical, nanotube molecular aggregate by monitoring the phase of the VSFG emission associated with different polarization configurations. By keeping track of the "phase acrobatics" associated with the added phase of the nonresonant SFG emission of gold as well as that of the double-resonance conditions achieved when the SF frequency is resonant with an electronic exciton transition, we discover that for aggregates of tetra(sulfonatophenyl)porphyrin (TSPP) the PPP-polarized spectra exhibit double-resonance conditions while SSP-polarized spectra exhibit resonance only with the ground-state vibration. Along with observed shifts in the vibrational frequency, intensity differences, and sign flips in the imaginary second-order susceptibility, χ s,Im (2) , we conclude that PPP-polarized HD-VSFG spectra reflect the delocalized, excitonic nature of the molecular aggregate, while the SSP-polarized HD-VSFG spectra measure the localized, monomeric nature of the molecular subunits. It is implied from this study that HD-VSFG spectroscopy can be uniquely utilized to measure the excitonic and monomeric properties associated with molecular assemblies for a single sample.

  14. Vibration and Temperature Survey Production CH-47C Helicopter

    DTIC Science & Technology

    1975-09-01

    energy level. Comp eon with the Mitiary Studard 16. Figure C show% a laboratory vibration test curve for equipment installed in helicopters taken...February 1975. 12. Publication, Instut Royale Meteorologique de Belgique, Donnes du Rayornnement Solair a Leopoldville, Periode 1953-1962, 1965. 13

  15. Improved Technique for Finding Vibration Parameters

    NASA Technical Reports Server (NTRS)

    Andrew, L. V.; Park, C. C.

    1986-01-01

    Filtering and sample manipulation reduce noise effects. Analysis technique improves extraction of vibrational frequencies and damping rates from measurements of vibrations of complicated structure. Structural vibrations measured by accelerometers. Outputs digitized at frequency high enough to cover all modes of interest. Use of method on set of vibrational measurements from Space Shuttle, raised level of coherence from previous values below 50 percent to values between 90 and 99 percent

  16. Reduction of low frequency vibration of truck driver and seating system through system parameter identification, sensitivity analysis and active control

    NASA Astrophysics Data System (ADS)

    Wang, Xu; Bi, Fengrong; Du, Haiping

    2018-05-01

    This paper aims to develop an 5-degree-of-freedom driver and seating system model for optimal vibration control. A new method for identification of the driver seating system parameters from experimental vibration measurement has been developed. The parameter sensitivity analysis has been conducted considering the random excitation frequency and system parameter uncertainty. The most and least sensitive system parameters for the transmissibility ratio have been identified. The optimised PID controllers have been developed to reduce the driver's body vibration.

  17. An investigation of vibration-induced protein desorption mechanism using a micromachined membrane and PZT plate.

    PubMed

    Yeh, Po Ying; Le, Yevgeniya; Kizhakkedathu, Jayachandran N; Chiao, Mu

    2008-10-01

    A micromachined vibrating membrane is used to remove adsorbed proteins on a surface. A lead zirconate titanate (PZT) composite (3 x 1 x 0.5 mm) is attached to a silicon membrane (2,000 x 500 x 3 microm) and vibrates in a flexural plate wave (FPW) mode with wavelength of 4,000/3 microm at a resonant frequency of 308 kHz. The surface charge on the membrane and fluid shear stress contribute in minimizing the protein adsorption on the SiO(2) surface. In vitro characterization shows that 57 +/- 10% of the adsorbed bovine serum albumin (BSA), 47 +/- 13% of the immunoglobulin G (IgG), and 55.3~59.2 +/- 8% of the proteins from blood plasma are effectively removed from the vibrating surface. A simulation study of the vibration-frequency spectrum and vibrating amplitude distribution matches well with the experimental data. Potentially, a microelectromechanical system (MEMS)-based vibrating membrane could be the tool to minimize biofouling of in vivo MEMS devices.

  18. Spectral assignment and orientational analysis in a vibrational sum frequency generation study of DPPC monolayers at the air/water interface

    NASA Astrophysics Data System (ADS)

    Feng, Rong-Juan; Li, Xia; Zhang, Zhen; Lu, Zhou; Guo, Yuan

    2016-12-01

    The interfacial behavior of the benchmark zwitterionic phospholipid molecule dipalmitoylphosphatidylcholine (DPPC) has been extensively investigated by surface-selective vibrational sum frequency generation spectroscopy (VSFG). However, there is still a lack of agreement between various orientational measurements of phospholipid monolayers at the air/water interface, mainly because of the difficulty in assigning congested VSFG features. In this study, polarization-dependent VSFG measurements reveal a frequency shift between the in-plane and out-of-plane antisymmetric stretching modes of the terminal methyl groups in the DPPC alkyl tails, favoring the model of Cs local symmetry rather than the previously assumed C3v symmetry. Further VSFG experiments of isotopically labeled DPPC successfully capture the vibrational signatures of the glycerol backbone. With the newly derived VSFG polarization selection rules for Cs symmetry and the refreshed spectral assignments, the average tilt angles of the alkyl tail groups, choline headgroup, and glycerol backbone of DPPC molecules can all be determined, showing the powerful capability of VSFG spectroscopy in revealing the structural details at interfaces. The VSFG polarization dependence rules and the orientational analysis procedures developed for Cs symmetry in this work are applicable to other bulky molecules in which the methyl group cannot freely rotate, and they therefore have general applications in future VSFG studies.

  19. System Detects Vibrational Instabilities

    NASA Technical Reports Server (NTRS)

    Bozeman, Richard J., Jr.

    1990-01-01

    Sustained vibrations at two critical frequencies trigger diagnostic response or shutdown. Vibration-analyzing electronic system detects instabilities of combustion in rocket engine. Controls pulse-mode firing of engine and identifies vibrations above threshold amplitude at 5.9 and/or 12kHz. Adapted to other detection and/or control schemes involving simultaneous real-time detection of signals above or below preset amplitudes at two or more specified frequencies. Potential applications include rotating machinery and encoders and decoders in security systems.

  20. A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family

    NASA Astrophysics Data System (ADS)

    Drozd, Marek; Daszkiewicz, Marek

    2018-06-01

    According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of these crystals the detailed crystallographic, theoretical calculations and vibrational studies were performed. It is interesting that nitrobenzoic acid create tree variety of compounds ((2) ortho-, (3) meta- and (4) para-) what any data for third member of guanidinium nitrobenzoate crystal were not known. The guanidinium o-nitrobenzoate hydrate crystal was synthesized first time. The performed X-ray crystallographic study shown that crystal belongs to space group without macroscopic symmetry center. Additionally, the vibrational spectra (intensities, frequencies and PED analysis) of investigated compound are presented. These results are compared with theoretical calculations for equilibrium geometry and vibrational properties. Furthermore, the results of the theoretical approach include HOMO and LUMO energies and first order hyperpolarizability were obtained, also. On the basis of these data the crystal was classified as second order generator. All obtained results are compared with previous literature data of guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate compounds. Surprisingly, each of examined crystal belongs to different crystallographic system and shows different vibrational properties.

  1. On the origin of red and blue shifts of X-H and C-H stretching vibrations in formic acid (formate ion) and proton donor complexes.

    PubMed

    Tâme Parreira, Renato Luis; Galembeck, Sérgio Emanuel; Hobza, Pavel

    2007-01-08

    Complexes between formic acid or formate anion and various proton donors (HF, H(2)O, NH(3), and CH(4)) are studied by the MP2 and B3LYP methods with the 6-311++G(3df,3pd) basis set. Formation of a complex is characterized by electron-density transfer from electron donor to ligands. This transfer is much larger with the formate anion, for which it exceeds 0.1 e. Electron-density transfer from electron lone pairs of the electron donor is directed into sigma* antibonding orbitals of X--H bonds of the electron acceptor and leads to elongation of the bond and a red shift of the X--H stretching frequency (standard H-bonding). However, pronounced electron-density transfer from electron lone pairs of the electron donor also leads to reorganization of the electron density in the electron donor, which results in changes in geometry and vibrational frequency. These changes are largest for the C--H bonds of formic acid and formate anion, which do not participate in H-bonding. The resulting blue shift of this stretching frequency is substantial and amounts to almost 35 and 170 cm(-1), respectively.

  2. 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.

  3. Surface acoustic wave (SAW) vibration sensors.

    PubMed

    Filipiak, Jerzy; Solarz, Lech; Steczko, Grzegorz

    2011-01-01

    In the paper a feasibility study on the use of surface acoustic wave (SAW) vibration sensors for electronic warning systems is presented. The system is assembled from concatenated SAW vibration sensors based on a SAW delay line manufactured on a surface of a piezoelectric plate. Vibrations of the plate are transformed into electric signals that allow identification of the sensor and localization of a threat. The theoretical study of sensor vibrations leads us to the simple isotropic model with one degree of freedom. This model allowed an explicit description of the sensor plate movement and identification of the vibrating sensor. Analysis of frequency response of the ST-cut quartz sensor plate and a damping speed of its impulse response has been conducted. The analysis above was the basis to determine the ranges of parameters for vibrating plates to be useful in electronic warning systems. Generally, operation of electronic warning systems with SAW vibration sensors is based on the analysis of signal phase changes at the working frequency of delay line after being transmitted via two circuits of concatenated four-terminal networks. Frequencies of phase changes are equal to resonance frequencies of vibrating plates of sensors. The amplitude of these phase changes is proportional to the amplitude of vibrations of a sensor plate. Both pieces of information may be sent and recorded jointly by a simple electrical unit.

  4. Determinants of the heme-CO vibrational modes in the H-NOX family.

    PubMed

    Tran, Rosalie; Weinert, Emily E; Boon, Elizabeth M; Mathies, Richard A; Marletta, Michael A

    2011-08-02

    The Heme Nitric oxide/OXygen binding (H-NOX) family of proteins have important functions in gaseous ligand signaling in organisms from bacteria to humans, including nitric oxide (NO) sensing in mammals, and provide a model system for probing ligand selectivity in hemoproteins. A unique vibrational feature that is ubiquitous throughout the H-NOX family is the presence of a high C-O stretching frequency. To investigate the cause of this spectroscopic characteristic, the Fe-CO and C-O stretching frequencies were probed in the H-NOX domain from Thermoanaerobacter tengcongensis (Tt H-NOX) using resonance Raman (RR) spectroscopy. Four classes of heme pocket mutants were generated to assess the changes in stretching frequency: (i) the distal H-bonding network, (ii) the proximal histidine ligand, (iii) modulation of the heme conformation via Ile-5 and Pro-115, and (iv) the conserved Tyr-Ser-Arg (YxSxR) motif. These mutations revealed important electrostatic interactions that dampen the back-donation of the Fe(II) d(π) electrons into the CO π* orbitals. The most significant change occurred upon disruption of the H-bonds between the strictly conserved YxSxR motif and the heme propionate groups, producing two dominant CO-bound heme conformations. One conformer was structurally similar to Tt H-NOX WT, whereas the other displayed a decrease in ν(C-O) of up to ∼70 cm(-1) relative to the WT protein, with minimal changes in ν(Fe-CO). Taken together, these results show that the electrostatic interactions in the Tt H-NOX binding pocket are primarily responsible for the high ν(C-O) by decreasing the Fe d(π) → CO π* back-donation and suggest that the dominant mechanism by which this family modulates the Fe(II)-CO bond likely involves the YxSxR motif.

  5. Determinants of the heme-CO vibrational modes in the H-NOX family†

    PubMed Central

    Tran, Rosalie; Weinert, Emily E.; Boon, Elizabeth M.; Mathies, Richard A.; Marletta, Michael A.

    2011-01-01

    The H-NOX family of proteins have important functions in gaseous ligand signaling in organisms from bacteria to humans, including nitric oxide (NO) sensing in mammals, and provide a model system for probing ligand selectivity in hemoproteins. A unique vibrational feature that is ubiquitous throughout the Heme-Nitric oxide/OXygen binding (H-NOX) family is the presence of a high C-O stretching frequency. To investigate the cause of this spectroscopic characteristic, the Fe-CO and C-O stretching frequencies were probed in the H-NOX domain from Thermoanaerobacter tengcongensis (Tt H-NOX) using resonance Raman (RR) spectroscopy. Four classes of heme pocket mutants were generated to assess the changes in stretching frequency: (i) the distal H-bonding network, (ii) the proximal histidine ligand, (iii) modulation of the heme conformation via Ile-5 and Pro-115, and (iv) the conserved Tyr-Ser-Arg (YxSxR) motif. These mutations revealed important electrostatic interactions that dampen the back-donation of the FeII dπ electrons into the CO π* orbitals. The most significant change occurred upon disruption of the H-bonds between the strictly conserved YxSxR motif and the heme propionate groups, producing two dominant CO-bound heme conformations. One conformer was structurally similar to Tt H-NOX WT; whereas the other displayed a decrease in ν(C-O) of up to ~70 cm−1 relative to the WT protein, with minimal changes in ν(Fe-CO). Taken together, these results show that the electrostatic interactions in the Tt H-NOX binding pocket are primarily responsible for the high ν(C-O) by decreasing the Fe dπ → CO π* back-donation, and suggest that the dominant mechanism by which this family modulates the FeII-CO bond likely involves the YxSxR motif. PMID:21714509

  6. MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.

    PubMed

    Homayoon, Zahra

    2014-09-28

    A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO(+)(H2O) cluster is reported. The PES is based on fitting of roughly 32,000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO(+)(H2O) and NO(+)(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO(+)(H2O) and NO(+)(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO(+)(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

  7. MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces

    NASA Astrophysics Data System (ADS)

    Homayoon, Zahra

    2014-09-01

    A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO+(H2O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO+(H2O) and NO+(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO+(H2O) and NO+(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO+(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

  8. Electronic and vibrational spectroscopy and vibrationally mediated photodissociation of V+(OCO).

    PubMed

    Citir, Murat; Altinay, Gokhan; Metz, Ricardo B

    2006-04-20

    Electronic spectra of gas-phase V+(OCO) are measured in the near-infrared from 6050 to 7420 cm(-1) and in the visible from 15,500 to 16,560 cm(-1), using photofragment spectroscopy. The near-IR band is complex, with a 107 cm(-1) progression in the metal-ligand stretch. The visible band shows clearly resolved vibrational progressions in the metal-ligand stretch and rock, and in the OCO bend, as observed by Brucat and co-workers. A vibrational hot band gives the metal-ligand stretch frequency in the ground electronic state nu3'' = 210 cm(-1). The OCO antisymmetric stretch frequency in the ground electronic state (nu1'') is measured by using vibrationally mediated photodissociation. An IR laser vibrationally excites ions to nu1'' = 1. Vibrationally excited ions selectively dissociate following absorption of a second, visible photon at the nu1' = 1 <-- nu1'' = 1 transition. Rotational structure in the resulting vibrational action spectrum confirms that V+(OCO) is linear and gives nu1'' = 2392.0 cm(-1). The OCO antisymmetric stretch frequency in the excited electronic state is nu1' = 2368 cm(-1). Both show a blue shift from the value in free CO2, due to interaction with the metal. Larger blue shifts observed for complexes with fewer ligands agree with trends seen for larger V+(OCO)n clusters.

  9. Natural vibration frequencies of horizontal tubes partially filled with liquid

    NASA Astrophysics Data System (ADS)

    Santisteban Hidalgo, Juan Andrés; Gama, Antonio Lopes; Moreira, Roger Matsumoto

    2017-11-01

    This work presents an experimental and numerical study on the flexural vibration of horizontal circular tubes partially filled with liquid. The tube is configured as a free-free beam with attention being directed to the case of small amplitudes of transverse oscillation whereas the axial movements of the tube and liquid are disregarded. At first vertical and horizontal polarizations of the flexural tube are investigated experimentally for different amounts of filling liquid. In contrast with the empty and fully-filled tubes, it is observed that natural frequencies of the vertical and horizontal polarizations are different due to asymmetry induced by the liquid layer, which acts like an added mass. Less mass of liquid is added to the tube when oscillating horizontally; as a consequence, eigenfrequencies for the horizontal polarization are found to be greater than the case of the vertically polarized tube. A simple method to calculate the natural vibration frequencies using coefficients of added mass of liquid is proposed. It is shown that the added mass coefficient increases with the liquid's level and viscosity. At last a numerical investigation of the interaction between the liquid and the tube is carried out by solving in two-dimensions the full Navier-Stokes equations via a finite volume method, with the free-surface flow being modeled with a homogeneous multiphase Eulerian-Eulerian fluid approach. Vertical and horizontal polarizations are imposed to the tube with pressure and shear stresses being determined numerically to assess the liquid's forcing onto the tube's wall. The coefficient of added mass of liquid is then estimated by the ratio between the resulting force and the acceleration imposed to the wall. A good agreement is found between experimental and numerical results, especially for the horizontally oscillating tube. It is also shown that viscosity can noticeably affect the added mass coefficients, particularly at low filling levels.

  10. Photodissociation studies of the electronic and vibrational spectroscopy of Ni(+)(H2O).

    PubMed

    Daluz, Jennifer S; Kocak, Abdulkadir; Metz, Ricardo B

    2012-02-09

    The electronic spectrum of Ni⁺(H₂O) has been measured from 16200 to 18000 cm⁻¹ using photofragment spectroscopy. Transitions to two excited electronic states are observed; they are sufficiently long-lived that the spectrum is vibrationally and partially rotationally resolved. An extended progression in the metal-ligand stretch is observed, and the absolute vibrational quantum numbering is assigned by comparing isotopic shifts between ⁵⁸Ni⁺(H₂O) and ⁶⁰Ni⁺(H₂O). Time-dependent density functional calculations aid in assigning the spectrum. Two electronic transitions are observed, from the ²A₁ ground state (which correlates to the ²D, 3d⁹ ground state of Ni⁺) to the 3²A₁ and 2²A₂ excited states. These states are nearly degenerate and correlate to the ²F, 3d⁸4s excited state of Ni⁺. Both transitions are quite weak, but surprisingly, the transition to the ²A₂ state is stronger, although it is symmetry-forbidden. The 3d⁸4s states of Ni⁺ interact less strongly with water than does the ground state; therefore, the excited states observed are less tightly bound and have a longer metal-ligand bond than the ground state. Calculations at the CCSD(T)/aug-cc-pVTZ level predict that binding to Ni⁺ increases the H-O-H angle in water from 104.2 to 107.5° as the metal removes electron density from the oxygen lone pairs. The photodissociation spectrum shows well-resolved rotational structure due to rotation about the Ni-O axis. This permits determination of the spin rotation constants ε(αα)'' = -12 cm⁻¹ and ε(αα)' = -3 cm⁻¹ and the excited state rotational constant A' = 14.5 cm⁻¹. This implies a H-O-H angle of 104 ± 1° in the 2²A₂ excited state. The O-H stretching frequencies of the ground state of Ni⁺(H₂O) were measured by combining IR excitation with visible photodissociation in a double resonance experiment. The O-H symmetric stretch is ν₁'' = 3616.5 cm⁻¹; the antisymmetric stretch is ν₅'' = 3688

  11. Excited-State Vibrational Coherence in Perylene Bisimide Probed by Femtosecond Broadband Pump-Probe Spectroscopy.

    PubMed

    Son, Minjung; Park, Kyu Hyung; Yoon, Min-Chul; Kim, Pyosang; Kim, Dongho

    2015-06-18

    Broadband laser pulses with ultrashort duration are capable of triggering impulsive excitation of the superposition of vibrational eigenstates, giving rise to quantum beating signals originating from coherent wave packet motions along the potential energy surface. In this work, coherent vibrational wave packet dynamics of an N,N'-bis(2,6-dimethylphenyl)perylene bisimide (DMP-PBI) were investigated by femtosecond broadband pump-probe spectroscopy which features fast and balanced data acquisition with a wide spectral coverage of >200 nm. Clear modulations were observed in the envelope of the stimulated emission decay profiles of DMP-PBI with the oscillation frequencies of 140 and 275 cm(-1). Fast Fourier transform analysis of each oscillatory mode revealed characteristic phase jumps near the maxima of the steady-state fluorescence, indicating that the observed vibrational coherence originates from an excited-state wave packet motion. Quantum calculations of the normal modes at the low-frequency region suggest that low-frequency C-C (C═C) stretching motions accompanied by deformation of the dimethylphenyl substituents are responsible for the manifestation of such coherent wave packet dynamics.

  12. High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1(exp 1)A' l-C3H(-): A Possible Link to Lines Observed in the Horsehead Nebula PDR

    NASA Technical Reports Server (NTRS)

    Fortenberry, Ryan C.; Huang, Xinchuan; Crawford, T. Daniel; Lee, Timothy J.

    2013-01-01

    It has been shown that rotational lines observed in the Horsehead nebula photon-dominated-region (PDR) are probably not caused by l-C3H+, as was originally suggested. In the search for viable alternative candidate carriers, quartic force fields are employed here to provide highly accurate rotational constants, as well as fundamental vibrational frequencies, for another candidate carrier: 1 (sup 1)A' C3H(-). The ab initio computed spectroscopic constants provided in this work are, compared to those necessary to define the observed lines, as accurate as the computed spectroscopic constants for many of the known interstellar anions. Additionally, the computed D-eff for C3H(-) is three times closer to the D deduced from the observed Horsehead nebula lines relative to l-C3H(+). As a result, 1 (sup 1)A' C3H(-). is a more viable candidate for these observed rotational transitions and would be the seventh confirmed interstellar anion detected within the past decade and the first C(sub n)H(-) molecular anion with an odd n.

  13. Millimeter-wave spectroscopy of syn formyl azide (HC(O)N3) in seven vibrational states

    NASA Astrophysics Data System (ADS)

    Walters, Nicholas A.; Amberger, Brent K.; Esselman, Brian J.; Woods, R. Claude; McMahon, Robert J.

    2017-01-01

    Millimeter-wave spectra for formyl azide (HC(O)N3) were obtained from 240 to 360 GHz at ambient temperature. For the ground state of syn formyl azide, over 1500 independent rotational transitions were measured and least-squares fit to a complete S-reduced 8th order centrifugal distortion/rigid rotor Hamiltonian. The decomposition of formyl azide was monitored over a period of several hours, the half-life (t½ = 30 min) was determined, and its decomposition products were investigated. Transitions from five vibrational satellites of syn formyl azide (ν9, ν12, 2ν9, ν9 + ν12, and ν11) were observed, measured, and least-squares fit to complete or nearly complete octic centrifugally-distorted, single-state S-reduced models. A less complete single-state fit of 3ν9 (509.3 cm-1) was obtained from an unperturbed subset of its assignable transitions. This state is apparently coupled to the fundamental ν8 (489.4 cm-1) and the overtone 2ν12 (503.6 cm-1), but the coupling remains unanalyzed. Anharmonic CCSD(T)/ANO1 estimates of the vibrational frequencies of syn formyl azide were in close agreement with previously published experimental and computational values. Experimentally determined vibration-rotation interaction (αi) values were in excellent agreement with coupled-cluster predicted αi values for the fundamentals ν9, ν12, and ν11.

  14. Method for enriching a middle isotope using vibration-vibration pumping

    DOEpatents

    Rich, Joseph W.; Homicz, Gregory F.; Bergman, Richard C.

    1989-01-01

    Method for producing isotopically enriched material by vibration-vibration excitation of gaseous molecules wherein a middle mass isotope of an isotopic mixture including lighter and heavier mass isotopes preferentially populates a higher vibrational mode and chemically reacts to provide a product in which it is enriched. The method can be used for vibration-vibration enrichment of .sup.17 O in a CO reactant mixture.

  15. Experiments on Suppression of Thermocapillary Oscillations in Sodium Nitrate Floating Half-Zones by High-frequency End-wall Vibrations

    NASA Technical Reports Server (NTRS)

    Anilkumar, A.; Grugel, R. N.; Bhowmick, J.; Wang, T.

    2004-01-01

    Experiments to suppress thermocapillary oscillations using high-frequency vibrations were carried out in sodium nitrate floating half-zones. Such a half-zone is formed by melting one end of a vertically held sodium nitrate crystal rod in contact with a hot surface at the top. Thermocapillary convection occurs in the melt because of the temperature gradient at the free surface of the melt. In the experiments, when thermocapillary oscillations occurred, the bottom end of the crystal rod was vibrated at a high frequency to generate a streaming flow in a direction opposite to that of the thermocapillary convection. It is observed that, by generating a sufficiently strong streaming flow, the thermocapillary flow can be offset enough such that the associated thermocapillary oscillations can be quenched.

  16. Resonance properties of Ag-ZnO nanostructures at terahertz frequencies

    PubMed Central

    Sanchez, John E.; Díaz de León, Ramón; Mendoza-Santoyo, Fernando; González, Gabriel; José-Yacaman, Miguel; Ponce, Arturo; González, Francisco Javier

    2015-01-01

    Nanoantennas have been fabricated by scaling down traditional antenna designs using nanolithographic techniques and testing them at different optical wavelengths, these particular nanoantennas have shown responses in a broad range of frequencies going from visible wavelengths to the range of the terahertz. Some self-assembled nanostructures exist that exhibit similar shapes and properties to those of traditional antenna structures. In this work the emission and absorption properties of self-assembled nanostructures made of zinc oxide nanorods on silver nanowires, which resemble traditional dipole antennas, were measured and simulated in order to test their antenna performance. These structures show resonant properties in the 10-120 THz range, with the main resonance at 60 THz. The radiation pattern of these nanostructures was also obtained by numerical simulations, and it is shown that it can be tailored to increase or decrease its directivity as a function of the location of the energy source of excitation. Experimental measurements were performed by Raman spectroscopy and Fourier Transform Infrared Spectroscopy (FTIR) in order to show existing vibrational frequencies at the resonant frequencies of the nanostructures, measurements were made from ~9 to 103 THz and the results were in agreement with the simulations. These characteristics make these metal-semiconductor Ag/ZnO nanostructures useful as self-assembled nanoantennas in applications such as terahertz spectroscopy and sensing at terahertz frequencies. PMID:26406710

  17. Observation and Analysis of N[subscript 2]O Rotation-Vibration Spectra: A Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Bryant, Mark S.; Reeve, Scott W.; Burns, William A.

    2008-01-01

    The linear molecule N[subscript 2]O is presented as an alternative gas-phase species for the ubiquitous undergraduate physical chemistry rotation-vibration spectroscopy experiment. Utilizing a 0.5 cm[superscript -1] resolution teaching grade FTIR spectrometer, 15 vibrational bands, corresponding to 1229 rotation-vibration transitions, have been…

  18. Vibrational excitation in O2and Cl2inductively-coupled plasmas and DC discharges

    NASA Astrophysics Data System (ADS)

    Booth, Jean-Paul; Marinov, Daniil; Foucher, Mickael; Annusova, Adriana; Guerra, Vasco

    2016-09-01

    Low-energy electrons can interact with molecules via resonances to cause vibrational excitation with large cross-sections. Such processes can absorb significant energy from the plasma electrons, affecting the electron energy distribution and potentially (via vibration-translation (VT) energy transfer) causing substantial gas heating. The presence of vibrationally excited molecules may significant increase the rates of collisional processes, including electron dissociative attachment and electron impact dissociation into neutral atoms. However, the cross-sections of these processes are often poorly known since they are extremely difficult to measure directly, and reliable theoretical calculations are only now appearing for simple diatomic molecules. We have measured the vibrational distributions in discharges in pure O2 and pure Cl2, using high-sensitivity ultra-broadband ultraviolet absorption spectroscopy. In O2 plasmas significant vibrational excitation is observed, up to v'' =18, with a tail temperature of around 8000K. In Cl2 excitation is only observed up to v'' =3, and the distribution appears to be in local equilibrium with the gas translational temperature (up to 1500K). We are developing a detailed self-consistent 0D global model of these systems including vibrational excitation. Work performed in the LABEX Plas@par project, with financial state aid (ANR-11-IDEX-0004-02 and ANR-13-BS09-0019).

  19. Study of the adsorption of sodium dodecyl sulfate (SDS) at the air/water interface: targeting the sulfate headgroup using vibrational sum frequency spectroscopy.

    PubMed

    Johnson, C Magnus; Tyrode, Eric

    2005-07-07

    The surface sensitive technique vibrational sum frequency spectroscopy (VSFS), has been used to study the adsorption behaviour of SDS to the liquid/vapour interface of aqueous solutions, specifically targeting the sulfate headgroup stretches. In the spectral region extending from 980 to 1850 cm(-1), only the vibrations due to the SO(3) group were detectable. The fitted amplitudes for the symmetric SO(3) stretch observed at 1070 cm(-1) for the polarization combinations ssp and ppp, were seen to follow the adsorption isotherm calculated from surface tension measurements. The orientation of the sulfate headgroup in the concentration range spanning from 1.0 mM to above the critical micellar concentration (c.m.c.) was observed to remain constant within experimental error, with the pseudo-C(3) axis close to the surface normal. Furthermore, the effect of increasing amounts of sodium chloride at SDS concentrations above c.m.c. was also studied, showing an increase of approximately 12% in the fitted amplitude for the symmetric SO(3) stretch when increasing the ionic strength from 0 to 300 mM NaCl. Interestingly, the orientation of the SDS headgroup was also observed to remain constant within this concentration range and identical to the case without NaCl.

  20. Surprising performance for vibrational frequencies of the distinguishable clusters with singles and doubles (DCSD) and MP2.5 approximations

    NASA Astrophysics Data System (ADS)

    Kesharwani, Manoj K.; Sylvetsky, Nitai; Martin, Jan M. L.

    2017-11-01

    We show that the DCSD (distinguishable clusters with all singles and doubles) correlation method permits the calculation of vibrational spectra at near-CCSD(T) quality but at no more than CCSD cost, and with comparatively inexpensive analytical gradients. For systems dominated by a single reference configuration, even MP2.5 is a viable alternative, at MP3 cost. MP2.5 performance for vibrational frequencies is comparable to double hybrids such as DSD-PBEP86-D3BJ, but without resorting to empirical parameters. DCSD is also quite suitable for computing zero-point vibrational energies in computational thermochemistry.

  1. Laser Spectroscopy Monitoring of 13C18O16O and 12C17O16O of Atmospheric Carbon Dioxide

    NASA Astrophysics Data System (ADS)

    Shorter, J. H.; Nelson, D. D.; Ono, S.; McManus, J. B.; Zahniser, M. S.

    2017-12-01

    One of the main challenges to making accurate predictions of future changes in CO2 concentration is the capability to determine what fraction of human produced CO2 remains in the atmosphere. We present our progress in the application of Tunable Infrared Laser Direct Absorption Spectroscopy (TILDAS) to the measurement of the primary clumped (13C18O16O) as well as 17O (12C17O16O) isotopologues of atmospheric CO2, as a tracer of its sources and sinks. We expect unique isotopologue signals in CO2 from high-temperature combustion sources, plants, soils, and air-sea exchange processes. High sampling frequency (a few minutes for each sample vs. reference cycle) achieved by a TILDAS instrument is expected to enable us to document local heterogeneous sources and temporal variations. The TILDAS is equipped with a newly developed 400-meter absorption cell. We designed a dual pressure measurement technique in which the clumped isotopologue, 13C18O16O, and 13C16O16O are first measured at 30 torr cell pressure. This is followed by measurement of 12C17O16O, 12C18O16O and 12C16O16O at lower ( 5 torr) cell pressure. Isotopologue ratios are compared between reference and sample gases. Preliminary tests demonstrated a precision approaching 0.03 ‰ for the ratio 13C18O16O/13C16O16O and 0.08‰ for Δ13C18O16O value (1σ repeatability for 4 min sample vs. reference cycle). Sample size for a single analysis is approximately 100 mL of air (1.6μmol of CO2). Given the previously observed range of variations for Δ13C18O16O and Δ17O values as large as 0.6 to 0.3 ‰, respectively, TILDAS offers a novel approach for real time monitoring of atmospheric CO2 isotopologues. It was found that achieving better than 0.1‰ requires careful matching of CO2 mixing ratios between reference and sample air. A primary cause of pressure and mixing ratio dependence is inaccurate baseline fitting (analogous to abundance sensitivity or pressure baseline for IRMS). Given that mixing ratios of atmospheric

  2. Effect of oxygen vacancies and strain on the phonon spectrum of HfO2 thin films

    NASA Astrophysics Data System (ADS)

    Gao, Lingyuan; Yalon, Eilam; Chew, Annabel R.; Deshmukh, Sanchit; Salleo, Alberto; Pop, Eric; Demkov, Alexander A.

    2017-06-01

    The effect of strain and oxygen deficiency on the Raman spectrum of monoclinic HfO2 is investigated theoretically using first-principles calculations. 1% in-plane compressive strain applied to a and c axes is found to blue shift the phonon frequencies, while 1% tensile strain does the opposite. The simulations are compared, and good agreement is found with the experimental results of Raman frequencies greater than 110 cm-1 for 50 nm HfO2 thin films. Several Raman modes measured below 110 cm-1 and previously assigned to HfO2 are found to be rotational modes of gases present in air ambient (nitrogen and oxygen). However, localized vibrational modes introduced by threefold-coordinated oxygen (O3) vacancies are identified at 96.4 cm-1 computationally. These results are important for a deeper understanding of vibrational modes in HfO2, which has technological applications in transistors and particularly in resistive random-access memory whose operation relies on oxygen-deficient HfOx.

  3. The Bending Vibrations of the C_3-ISOTOPOLOGUES in the 1.9 Terahertz Region

    NASA Astrophysics Data System (ADS)

    Breier, A.; Büchling, Thomas; Lutter, Volker; Schnierer, Rico; Fuchs, Guido W.; Giesen, Thomas

    2016-06-01

    Short carbon chains are fundamental for the chemistry of stellar and interstellar ambiences. The linear carbon chain molecule C_3 has been found in various interstellar and circumstellar environments, encompassing diffuse interstellar clouds, star forming regions, shells of late type stars, as well as cometary tails. Due to the lack of a permanent dipole moment C_3 can only be detected by electronic transitions in the visible spectral range or by vibrational bands in the mid-and far-infrared region. We performed experiments where C_3 was produced via laser-ablation of a graphite rod with a 3 bar He purge and a subsequent adiabatic expansion into a vaccum resulting in a supersonic jet. We report laboratory measurements of the lowest bending mode transitions of six 13C-isotopologues of the linear C_3 molecule. Fifty-eight transitions have been measured between 1.8-1.9 THz with an accuracy of better than 1 MHz. Molecular parameters have been derived to give accurate line frequency positions of all 13C isotopologues to ease their future interstellar detection. A dedicated observation for singly substituted 13CCC is projected within the SOFIA airborne observatory mission.

  4. 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

  5. Portable vibration exciter

    NASA Technical Reports Server (NTRS)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  6. Conformational, vibrational, NMR and DFT studies of N-methylacetanilide.

    PubMed

    Arjunan, V; Santhanam, R; Rani, T; Rosi, H; Mohan, S

    2013-03-01

    A detailed conformational, vibrational, NMR and DFT studies of N-methylacetanilide have been carried out. In DFT, B3LYP method have been used with 6-31G(**), 6-311++G(**) and cc-pVTZ basis sets. The vibrational frequencies were calculated resulting in IR and Raman frequencies together with intensities and Raman depolarisation ratios. The dipole moment derivatives were computed analytically. Owing to the complexity of the molecule, the potential energy distributions of the vibrational modes of the compound are also calculated. Isoelectronic molecular electrostatic potential surface (MEP) and electron density surface were examined. (1)H and (13)C NMR isotropic chemical shifts were calculated and the assignments made are compared with the experimental values. The energies of important MO's of the compound were also determined from TD-DFT method. Copyright © 2012 Elsevier B.V. All rights reserved.

  7. Ab Initio Calculation of Accurate Vibrational Frequencies for Molecules of Interest in Atmospheric Chemistry

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

    1996-01-01

    Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within +/- 8 cm(sup -1) on average, and molecular bond distances are accurate to within +/- 0.001-0.003 A, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as rovibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy win be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

  8. Bonding and vibrations of CO molecules adsorbed at transition metal impurity sites on the MgO (001) surface. A density functional model cluster study

    NASA Astrophysics Data System (ADS)

    Neyman, K. M.; Rösch, N.

    1993-11-01

    First principles density functional cluster investigations of adsorption at the (001) surface of pure and doped magnesium oxide are carried out to characterize and compare the interaction of CO molecules with main group (Mg 2+) and d metal (Co 2+, Ni 2+, Cu 2+) surface cationic centers of the ionic substrate. The geometry of the adsorption complexes, the binding mechanism and spectroscopic manifestations of the surface species are analyzed. Special attention is payed to vibrational frequencies and intensities. The calculations qualitatively reproduce observed trends in the adsorption-induced frequency shifts for the series of the surface aggregates Mg 5cCO→Ni 5cCO→CO 5cCO and the corresponding change of the infrared intensities of the CO vibrational mode. For the transition metal impurity sites these results are rationalized in terms of a small, but notable Md πCOπ interaction.

  9. Anharmonic calculations of frequencies and intensities of Osbnd H stretching vibrations of (R)-1,3-butanediol conformers in the fundamentals and first overtones by density functional theory

    NASA Astrophysics Data System (ADS)

    Futami, Yoshisuke; Minamoto, Chihiro; Kudoh, Satoshi

    2018-05-01

    The frequencies and absorption intensities of the five kinds of conformers of 1,3-butanediol with the same carbon skeleton (GG‧) were calculated by anharmonic calculation for the fundamentals and first overtones of OH stretching vibrations. The four kinds of conformers form intramolecular hydrogen bonds and one conformer did not. Intramolecular hydrogen bond formation shifted the frequency of fundamental and first overtone of H-bonding OH stretching vibration to the lower frequency. The absorption intensities of the fundamentals as well as the vibrational anharmonicities increased upon hydrogen bond formation, while the intensities of first overtones decreased. The differences of conformers were clearly seen in the frequencies of the first overtones of free OH.

  10. Vibrational spectroscopic and structural investigations on fullerene: A DFT approach

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

    Christy, P. Anto; Premkumar, S.; Asath, R. Mohamed

    2016-05-06

    The molecular structure of fullerene (C{sub 60}) molecule was optimized by the DFT/B3LYP method with 6-31G and 6-31G(d,p) basis sets using Gaussian 09 program. The vibrational frequencies were calculated for the optimized molecular structure of the molecule. The calculated vibrational frequencies confirm that the molecular structure of the molecule was located at the minimum energy potential energy surface. The calculated vibrational frequencies were assigned on the basis of functional group analysis and also confirmed using the GaussView 05 software. The frontier molecular orbitals analysis was carried out. The FMOs related molecular properties were predicted. The higher ionization potential, higher electronmore » affinity, higher softness, lower band gap energy and lower hardness values were obtained, which confirm that the fullerene molecule has a higher molecular reactivity. The Mulliken atomic charge distribution of the molecule was also calculated. Hence, these results play an important role due to its potential applications as drug delivery devices.« less

  11. Nuclear magnetic resonance, vibrational spectroscopic studies, physico-chemical properties and computational calculations on (nitrophenyl) octahydroquinolindiones by DFT method.

    PubMed

    Pasha, M A; Siddekha, Aisha; Mishra, Soni; Azzam, Sadeq Hamood Saleh; Umapathy, S

    2015-02-05

    In the present study, 2'-nitrophenyloctahydroquinolinedione and its 3'-nitrophenyl isomer were synthesized and characterized by FT-IR, FT-Raman, (1)H NMR and (13)C NMR spectroscopy. The molecular geometry, vibrational frequencies, (1)H and (13)C NMR chemical shift values of the synthesized compounds in the ground state have been calculated by using the density functional theory (DFT) method with the 6-311++G (d,p) basis set and compared with the experimental data. The complete vibrational assignments of wave numbers were made on the basis of potential energy distribution using GAR2PED programme. Isotropic chemical shifts for (1)H and (13)C NMR were calculated using gauge-invariant atomic orbital (GIAO) method. The experimental vibrational frequencies, (1)H and (13)C NMR chemical shift values were found to be in good agreement with the theoretical values. On the basis of vibrational analysis, molecular electrostatic potential and the standard thermodynamic functions have been investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. Ground vibrations from heavy freight trains

    NASA Astrophysics Data System (ADS)

    Dawn, T. M.

    1983-03-01

    Ground vibration from heavy freight trains on good quality welded track are found to have only a weak dependence on train speed above 30 km/h. At the site on which these tests were carried out a critical speed was found at which the vibration reached a peak. The frequencies of vibration produced appear to be functions of track and vehicle dimensions and the critical speed occurs at the coincidence of sleeper passage frequency and the total vehicle on track resonance frequency.

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

    NASA Astrophysics Data System (ADS)

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

    2002-04-01

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

  14. Molecular structure, vibrational spectra and DFT computational studies of melaminium N-acetylglycinate dihydrate

    NASA Astrophysics Data System (ADS)

    Tanak, H.; Pawlus, K.; Marchewka, M. K.

    2016-10-01

    Melaminium N-acetylglycinate dihydrate, an organic material has been synthesized and characterized by X-ray diffraction, FT-IR, and FT-Raman spectroscopies for the protiated and deuteriated crystals. The title complex crystallizes in the triclinic system, and the space group is P-1 with a = 5.642(1) Å, b = 7.773(2) Å, c = 15.775(3) Å, α = 77.28(1)°, β = 84.00(1)°, γ = 73.43(1)° and Z = 2. The molecular geometry, vibrational frequencies and intensity of the vibrational bands have been interpreted with the aid of structure optimization based on density functional method (B3LYP) with the 6-311++G(d,p) basis set. The obtained vibrational wavenumbers and optimized geometric parameters were seen to be in good agreement with the experimental data. The intermolecular hydrogen bonding interactions of the title compound have been investigated using the natural bonding orbital analysis. It reveals that the O-H···O, N-H···N and N-H···O intermolecular interactions significantly influence crystal packing of this molecule. The non-linear optical properties are also addressed theoretically. The predicted NLO properties of the title compound are much greater than ones of urea. In addition, DFT calculations of the title compound, molecular electrostatic potential, thermodynamic properties, frontier orbitals and chemical reactivity descriptors were also performed at 6-311++G(d,p) level of theory.

  15. High-frequency, low-magnitude vibration does not prevent bone loss resulting from muscle disuse in mice following botulinum toxin injection.

    PubMed

    Manske, Sarah L; Good, Craig A; Zernicke, Ronald F; Boyd, Steven K

    2012-01-01

    High-frequency, low-magnitude vibration enhances bone formation ostensibly by mimicking normal postural muscle activity. We tested this hypothesis by examining whether daily exposure to low-magnitude vibration (VIB) would maintain bone in a muscle disuse model with botulinum toxin type A (BTX). Female 16-18 wk old BALB/c mice (N = 36) were assigned to BTX-VIB, BTX-SHAM, VIB, or SHAM. BTX mice were injected with BTX (20 µL; 1 U/100 g body mass) into the left hindlimb posterior musculature. All mice were anaesthetized for 20 min/d, 5 d/wk, for 3 wk, and the left leg mounted to a holder. Through the holder, VIB mice received 45 Hz, ± 0.6 g sinusoidal acceleration without weight bearing. SHAM mice received no vibration. At baseline and 3 wk, muscle cross-sectional area (MCSA) and tibial bone properties (epiphysis, metaphysis and diaphysis) were assessed by in vivo micro-CT. Bone volume fraction in the metaphysis decreased 12 ± 9% and 7 ± 6% in BTX-VIB and BTX-SHAM, but increased in the VIB and SHAM. There were no differences in dynamic histomorphometry outcomes between BTX-VIB and BTX nor between VIB and SHAM. Thus, vibration did not prevent bone loss induced by a rapid decline in muscle activity nor produce an anabolic effect in normal mice. The daily loading duration was shorter than would be expected from postural muscle activity, and may have been insufficient to prevent bone loss. Based on the approach used in this study, vibration does not prevent bone loss in the absence of muscle activity induced by BTX.

  16. Effect of lithium doping in BaTiO3 ceramics for vibration sensor application

    NASA Astrophysics Data System (ADS)

    Praveen, E.; Murugan, S.; Jayakumar, K.

    2018-04-01

    Phase pure undoped and Lithium doped BaTiO3 particles have been synthesized by high temperature solid-state reaction method. Substitution of Lithium at the Ba2+ site in BaTiO3 lattice has been investigated. The structural, vibrational, electrical and mechanical characterization have been carried out. The poled samples were used as a sensing element for the detection of mechanical oscillations and the presence of 80 Hz pulse in the output spectrum manifest the response of the sensor element to the applied mechanical stress. In comparison with pure BaTiO3 the sensitivity of Li doped BaTiO3 is 14 times greater than the pure BaTiO3. This confirms that Li doped BaTiO3 could be an efficient candidate for the functionalization of vibration sensors in space application.

  17. Nonharmonicity in vibrated granular solids

    NASA Astrophysics Data System (ADS)

    Schreck, Carl

    2012-02-01

    We have shown that granular packings composed of frictionless particles with repulsive contact interactions are strongly nonharmonic. When infinitesimally perturbed along linear response eigenmodes of the static packing, energy leaks from the original mode of vibration to a continuum of frequencies due solely to contact breaking even when the system is under significant compression. Further, vibrated packings possess well-defined equilibrium positions that are different than those of the unperturbed packing. The vibrational density of states obtained using the displacement matrix and velocity autocorrelation function methods exhibit an increase in the number of low-frequency modes over that obtained from linear response of the static packing. The form of the density of states in vibrated granular packings is reminiscent of the low-frequency behavior of the vibrational density of states in fluid systems. We also investigate the effects of inter-particle friction, dissipation, particle shape, and degree of positional order on the density of states and thermal transport properties in driven granular packings.

  18. Resonance vibrations of aircraft propellers

    NASA Technical Reports Server (NTRS)

    Liebers, Fritz

    1932-01-01

    On the basis of the consideration of various possible kinds of propeller vibrations, the resonance vibrations caused by unequal impacts of the propeller blades appear to be the most important. Their theoretical investigation is made by separate analysis of torsional and bending vibrations. This method is justified by the very great difference in the two natural frequencies of aircraft propeller blades. The calculated data are illustrated by practical examples. Thereby the observed vibration phenomenon in the given examples is explained by a bending resonance, for which the bending frequency of the propeller is equal to twice the revolution speed.

  19. Characterizing the effects of amplitude, frequency and limb position on vibration induced movement illusions: Implications in sensory-motor rehabilitation

    PubMed Central

    Schofield, Jonathon S.; Dawson, Michael R.; Carey, Jason P.; Hebert, Jacqueline S.

    2015-01-01

    BACKGROUND Strategic vibration of musculotendinous regions of a limb elicits illusionary sensations of movement. As a rehabilitation technique, this ‘kinesthetic illusion’ has demonstrated beneficial results for numerous sensory-motor disorders. However, literature shows little consistency in the vibration parameters or body positioning used, and their effects have yet to be comprehensively investigated. OBJECTIVE To characterize the effects of the vibration amplitude, frequency, and limb position on the kinesthetic illusion. METHODS Movement illusions were induced in 12 participants’ biceps and triceps. The effect of amplitude (0.1 to 0.5 mm), frequency (70 to 110 Hz), and two limb positions were quantified on the strength of illusion (SOI), range of motion (ROM) and velocity. RESULTS Amplitude significantly affected the illusionary SOI, ROM and velocity in the biceps and triceps (p < 0.05). Increasing amplitude resulted in an increase of all three output variables. Limb position showed an effect on illusionary velocity in the biceps as well as ROM and velocity in the triceps (p < 0.05). Frequency demonstrated no statistical effect. CONCLUSIONS Amplitude demonstrated the most profound impact on the kinesthetic illusion in the experimental ranges tested. This work may help guide clinicians and researchers in selecting appropriate vibratory parameters and body positions to consistently elicit and manipulate the kinesthetic illusion. PMID:25425585

  20. Characterizing the effects of amplitude, frequency and limb position on vibration induced movement illusions: Implications in sensory-motor rehabilitation.

    PubMed

    Schofield, Jonathon S; Dawson, Michael R; Carey, Jason P; Hebert, Jacqueline S

    2015-01-01

    Strategic vibration of musculotendinous regions of a limb elicits illusionary sensations of movement. As a rehabilitation technique, this 'kinesthetic illusion' has demonstrated beneficial results for numerous sensory-motor disorders. However, literature shows little consistency in the vibration parameters or body positioning used, and their effects have yet to be comprehensively investigated. To characterize the effects of the vibration amplitude, frequency, and limb position on the kinesthetic illusion. Movement illusions were induced in 12 participants' biceps and triceps. The effect of amplitude (0.1 to 0.5 mm), frequency (70 to 110 Hz), and two limb positions were quantified on the strength of illusion (SOI), range of motion (ROM) and velocity. Amplitude significantly affected the illusionary SOI, ROM and velocity in the biceps and triceps (p< 0.05). Increasing amplitude resulted in an increase of all three output variables. Limb position showed an effect on illusionary velocity in the biceps as well as ROM and velocity in the triceps (p< 0.05). Frequency demonstrated no statistical effect. Amplitude demonstrated the most profound impact on the kinesthetic illusion in the experimental ranges tested. This work may help guide clinicians and researchers in selecting appropriate vibratory parameters and body positions to consistently elicit and manipulate the kinesthetic illusion.

  1. Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

    NASA Astrophysics Data System (ADS)

    Krasnoshchekov, Sergey V.; Schutski, Roman S.; Craig, Norman C.; Sibaev, Marat; Crittenden, Deborah L.

    2018-02-01

    Three dihalogenated methane derivatives (CH2F2, CH2FCl, and CH2Cl2) were used as model systems to compare and assess the accuracy of two different approaches for predicting observed fundamental frequencies: canonical operator Van Vleck vibrational perturbation theory (CVPT) and vibrational configuration interaction (VCI). For convenience and consistency, both methods employ the Watson Hamiltonian in rectilinear normal coordinates, expanding the potential energy surface (PES) as a Taylor series about equilibrium and constructing the wavefunction from a harmonic oscillator product basis. At the highest levels of theory considered here, fourth-order CVPT and VCI in a harmonic oscillator basis with up to 10 quanta of vibrational excitation in conjunction with a 4-mode representation sextic force field (SFF-4MR) computed at MP2/cc-pVTZ with replacement CCSD(T)/aug-cc-pVQZ harmonic force constants, the agreement between computed fundamentals is closer to 0.3 cm-1 on average, with a maximum difference of 1.7 cm-1. The major remaining accuracy-limiting factors are the accuracy of the underlying electronic structure model, followed by the incompleteness of the PES expansion. Nonetheless, computed and experimental fundamentals agree to within 5 cm-1, with an average difference of 2 cm-1, confirming the utility and accuracy of both theoretical models. One exception to this rule is the formally IR-inactive but weakly allowed through Coriolis-coupling H-C-H out-of-plane twisting mode of dichloromethane, whose spectrum we therefore revisit and reassign. We also investigate convergence with respect to order of CVPT, VCI excitation level, and order of PES expansion, concluding that premature truncation substantially decreases accuracy, although VCI(6)/SFF-4MR results are still of acceptable accuracy, and some error cancellation is observed with CVPT2 using a quartic force field.

  2. Hydration of Sulphobetaine (SB) and Tetra(ethylene glycol) (EG4)-Terminated Self-Assembled Monolayers Studied by Sum Frequency Generation (SFG) Vibrational Spectroscopy

    PubMed Central

    Stein, M. Jeanette; Weidner, Tobias; McCrea, Keith; Castner, David G.; Ratner, Buddy D.

    2010-01-01

    Sum frequency generation (SFG) vibrational spectroscopy is used to study the surface and the underlying substrate of both homogeneous and mixed self-assembled monolayers (SAMs) of 11-mercaptoundecyl-1-sulphobetainethiol (HS(CH2)11N+(CH3)2(CH2)3SO3−, SB) and 1-mercapto-11-undecyl tetra(ethylene glycol) (HS(CH2)11O(CH2CH2O)4OH, EG4) with an 11-mercapto-1-undecanol (HS(CH2)11OH, MCU) diluent. SFG results on the C–H region of the dry and hydrated SAMs gave an in situ look into the molecular orientation and suggested an approach to maximize signal-to-noise ratio on these difficult to analyze hydrophilic SAMs. Vibrational fingerprint studies in the 3000–3600 cm−1 spectral range for the SAMs exposed serially to air, water, and deuterated water revealed that a layer of tightly-bound structured water was associated with the surface of a non-fouling monolayer but was not present on a hydrophobic N-undecylmercaptan (HS(CH2)10CH3, UnD) control. The percentage of water retained upon submersion in D2O correlated well with the relative amount of protein that was previously shown to absorb onto the monolayers. These results provide evidence supporting the current theory regarding the role of a tightly-bound vicinal water layer in the protein resistance of a non-fouling group. PMID:19639981

  3. Vibrational and electronic spectroscopic studies of melatonin

    NASA Astrophysics Data System (ADS)

    Singh, Gurpreet; Abbas, J. M.; Dogra, Sukh Dev; Sachdeva, Ritika; Rai, Bimal; Tripathi, S. K.; Prakash, Satya; Sathe, Vasant; Saini, G. S. S.

    2014-01-01

    We report the infrared absorption and Raman spectra of melatonin recorded with 488 and 632.8 nm excitations in 3600-2700 and 1700-70 cm-1 regions. Further, we optimized molecular structure of the three conformers of melatonin within density functional theory calculations. Vibrational frequencies of all three conformers have also been calculated. Observed vibrational bands have been assigned to different vibrational motions of the molecules on the basis of potential energy distribution calculations and calculated vibrational frequencies. Observed band positions match well with the calculated values after scaling except Nsbnd H stretching mode frequencies. It is found that the observed and calculated frequencies mismatch of Nsbnd H stretching is due to intermolecular interactions between melatonin molecules.

  4. Non-Seismology Seismology: Using QuakeCatchers to Analyze the Frequency of Bridge Vibrations

    NASA Astrophysics Data System (ADS)

    Courtier, A. M.; Constantin, C.; Wilson, C. F.

    2013-12-01

    We conducted an experiment to test the feasibility of measuring seismic waves generated by traffic near James Madison University. We used QuakeCatcher seismometers (originally designed for passive seismic measurement) to measure vibrations associated with traffic on a wooden bridge as well as a nearby concrete bridge. This experiment was a signal processing exercise for a student research project and did not draw any conclusions regarding bridge safety or security. The experiment consisted of two temporary measurement stations comprised of a laptop computer and a QuakeCatcher - a small seismometer that plugs directly into the laptop via a USB cable. The QuakeCatcher was taped to the ground at the edge of the bridge to achieve good coupling, and vibrational events were triggered repeatedly with a control vehicle to accumulate a consistent dataset of the bridge response. For the wooden bridge, the resulting 'seismograms' were converted to Seismic Analysis Code (SAC) format and analyzed in MATLAB. The concrete bridge did not generate vibrations significant enough to trigger the recording mechanism on the QuakeCatchers. We will present an overview of the experimental design and frequency content of the traffic patterns, as well as a discussion of the instructional benefits of using the QuakeCatcher sensors in this non-traditional setting.

  5. Variational study on the vibrational level structure and vibrational level mixing of highly vibrationally excited S₀ D₂CO.

    PubMed

    Rashev, Svetoslav; Moule, David C; Rashev, Vladimir

    2012-11-01

    We perform converged high precision variational calculations to determine the frequencies of a large number of vibrational levels in S(0) D(2)CO, extending from low to very high excess vibrational energies. For the calculations we use our specific vibrational method (recently employed for studies on H(2)CO), consisting of a combination of a search/selection algorithm and a Lanczos iteration procedure. Using the same method we perform large scale converged calculations on the vibrational level spectral structure and fragmentation at selected highly excited overtone states, up to excess vibrational energies of ∼17,000 cm(-1), in order to study the characteristics of intramolecular vibrational redistribution (IVR), vibrational level density and mode selectivity. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Ordering of the O-O stretching vibrational frequencies in ozone

    NASA Technical Reports Server (NTRS)

    Scuseria, Gustavo E.; Lee, Timothy J.; Scheiner, Andrew C.; Schaefer, Henry F., III

    1989-01-01

    The ordering of nu1 and nu3 for O3 is incorrectly predicted by most theoretical methods, including some very high level methods. The first systematic electron correlation method based on one-reference configuration to solve this problem is the coupled cluster single and double excitation method. However, a relatively large basis set, triple zeta plus double polarization is required. Comparison with other theoretical methods is made.

  7. Vibrational energy transfer and relaxation in O2 and H2O.

    PubMed

    Huestis, David L

    2006-06-01

    Near-resonant vibrational energy exchange between oxygen and water molecules is an important process in the Earth's atmosphere, combustion chemistry, and the chemical oxygen iodine laser (COIL). The reactions in question are (1) O2(1) + O2(0) --> O2(0) + O2(0); (2) O2(1) + H2O(000) --> O2(0) + H2O(000); (3) O2(1) + H2O(000) <--> O2(0) + H2O(010); (4) H2O(010) + H2O(000) --> H2O(000) + H2O(000); and (5) H2O(010) + O2(0) --> H2O(000) + O2(0). Reanalysis of the data available in the chemical kinetics literature provides reliable values for rate coefficients for reactions 1 and 4 and strong evidence that reactions 2 and 5 are slow in comparison with reaction 3. Analytical solution of the chemical rate equations shows that previous attempts to measure the rate of reaction 3 are unreliable unless the water mole fraction is higher than 1%. Reanalysis of data from the only experiment satisfying this constraint provides a rate coefficient of (5.5 +/- 0.4) x 10(-13) cm3/s at room temperature, between the values favored by the atmospheric and laser modeling communities.

  8. The calcination temperature dependence of microstructural, vibrational spectra and magnetic properties of nanocrystalline Mn0.5Zn0.5Fe2O4

    NASA Astrophysics Data System (ADS)

    Indrayana, I. P. T.; Siregar, N.; Suharyadi, E.; Kato, T.; Iwata, S.

    2016-11-01

    Effect of calcination temperature on microstructural, vibrational, and magnetic properties of Mn0.5Zn0.5Fe2O4 nanoparticles have been successfully investigated. The nanoparticles were synthesized via coprecipitation method and calcined at different temperatures varying from 400, 600, 800, and 1000°C. The X-ray diffraction (XRD) pattern confirmed the formation of cubic spinel structure Mn0.5Zn0.5Fe2O4 with crystallite size ranging from 18.3 nm to 24.8 nm. The TEM micrograph showed the morphology of nanoparticles change from nearly spherical to cubic form after calcination. The FTIR spectra confirmed the existence of vibrations at 416.6 cm-1 - 455.2 cm-1 and 555.5 cm-1 -578.6 cm-1 which corresponds to the intrinsic stretching vibration of metal-oxygen at octahedral and tetrahedral sites, respectively. The maximum specific magnetization and coercivity increase with increasing calcination temperature. The maximum specific magnetization value of 54.7emu/gram was obtained for sample calcined at 1000°C. The results showed that calcination treatment will facilitate the tunability of microstructural and magnetic properties of nanoparticles for expanding the field of application.

  9. Frequency domain kinetic of positron-electron annihilation in the MgO-Al2O3 spinel-type ceramics

    NASA Astrophysics Data System (ADS)

    Fl'unt, Orest; Klym, Halyna; Ingram, Adam

    2018-03-01

    In this work, the kinetic of positron-electron annihilation in the MgO-Al2O3 spinel-type ceramics sintered at different temperatures (1100, 1200 and 1400 °C) has been calculated and analyzed in a frequency domain. The spectra of real (in-phase) and imaginary (quadrature) components of positron-electron annihilation kinetic have been obtained numerically from usual temporal characteristics using integral Fourier transform. The numerical calculations were carried out using cubic spline interpolation of the pulse characteristics of MgO-Al2O3 ceramics in time domain with following analytical calculations of integrals. The obtained spectra as real so imaginary part of MgO-Al2O3 ceramics in frequency domain almost good obey a Debye law denying correlation between elementary positron annihilation processes. Complex diagrams of frequency domain responses of as-prepared samples have a shape of semicircles with close characteristic frequencies. Some deviation on low-frequency side of the semicircles is observed confirming an availability of longer time kinetic processes. Sintering temperature dependencies of the relaxation times and characteristic frequencies of positron-electron annihilation processes have been obtained. It is shown that position of large maxima on the frequency dependencies of imaginary part corresponds to fast average relaxation lifetime representing the most intensive interaction process of positrons with small cavity traps in solids.

  10. What is the most effective posture to conduct vibration from the lower to the upper extremities during whole-body vibration exercise?

    PubMed Central

    Tsukahara, Yuka; Iwamoto, Jun; Iwashita, Kosui; Shinjo, Takuma; Azuma, Koichiro; Matsumoto, Hideo

    2016-01-01

    Background Whole-body vibration (WBV) exercise is widely used for training and rehabilitation. However, the optimal posture for training both the upper and lower extremities simultaneously remains to be established. Objectives The objective of this study was to search for an effective posture to conduct vibration from the lower to the upper extremities while performing WBV exercises without any adverse effects. Methods Twelve healthy volunteers (age: 22–34 years) were enrolled in the study. To measure the magnitude of vibration, four accelerometers were attached to the upper arm, back, thigh, and calf of each subject. Vibrations were produced using a WBV platform (Galileo 900) with an amplitude of 4 mm at two frequencies, 15 and 30 Hz. The following three postures were examined: posture A, standing posture with the knees flexed at 30°; posture B, crouching position with no direct contact between the knees and elbows; and posture C, crouching position with direct contact between the knees and elbows. The ratio of the magnitude of vibration at the thigh, back, and upper arm relative to that at the calf was used as an index of vibration conduction. Results Posture B was associated with a greater magnitude of vibration to the calf than posture A at 15 Hz, and postures B and C were associated with greater magnitudes of vibration than posture A at 30 Hz. Posture C was associated with a vibration conduction to the upper arm that was 4.62 times and 8.26 times greater than that for posture A at 15 and 30 Hz, respectively. Conclusion This study revealed that a crouching position on a WBV platform with direct contact between the knees and elbows was effective for conducting vibration from the lower to the upper extremities. PMID:26793008

  11. Vibrational Sum Frequency Generation Spectroscopy Study of Hydrous Species in Soda Lime Silica Float Glass.

    PubMed

    Luo, Jiawei; Banerjee, Joy; Pantano, Carlo G; Kim, Seong H

    2016-06-21

    It is generally accepted that the mechanical properties of soda lime silica (SLS) glass can be affected by the interaction between sodium ions and hydrous species (silanol groups and water molecules) in its surface region. While the amount of these hydrous species can be estimated from hydrogen profiles and infrared spectroscopy, their chemical environment in the glass network is still not well understood. This work employed vibrational sum frequency generation (SFG) spectroscopy to investigate the chemical environment of hydrous species in the surface region of SLS float glass. SLS float glass shows sharp peaks in the OH stretching vibration region in SFG spectra, while the OH stretch peaks of glasses that do not have leachable sodium ions and the OH peaks of water molecules in condensed phases are normally broad due to fast hydrogen bonding dynamics. The hydrous species responsible for the sharp SFG peaks for the SLS float glass were found to be thermodynamically more stable than physisorbed water molecules, did not exchange with D2O, and were associated with the sodium concentration gradient in the dealkalized subsurface region. These results suggested that the hydrous species reside in static solvation shells defined by the silicate network with relatively slow hydrogen bonding dynamics, compared to physisorbed water layers on top of the glass surface. A putative radial distribution of the hydrous species within the SLS glass network was estimated based on the OH SFG spectral features, which could be compared with theoretical distributions calculated from computational simulations.

  12. Vibrationally resonant sum-frequency generation microscopy with a solid immersion lens

    PubMed Central

    Lee, Eun Seong; Lee, Sang-Won; Hsu, Julie; Potma, Eric O.

    2014-01-01

    We use a hemispheric sapphire lens in combination with an off-axis parabolic mirror to demonstrate high-resolution vibrationally resonant sum-frequency generation (VR-SFG) microscopy in the mid-infrared range. With the sapphire lens as an immersed solid medium, the numerical aperture (NA) of the parabolic mirror objective is enhanced by a factor of 1.72, from 0.42 to 0.72, close to the theoretical value of 1.76 ( = nsapphire). The measured lateral resolution is as high as 0.64 μm. We show the practical utility of the sapphire immersion lens by imaging collagen-rich tissues with and without the solid immersion lens. PMID:25071953

  13. Analysis of railway track vibration

    NASA Astrophysics Data System (ADS)

    Ono, K.; Yamada, M.

    1989-04-01

    Analytical formulae are developed for estimating the amplitudes of the vibrations generated in railway tracks by wheels and rail discontinuities or by unevennesses on their surfaces. Rails are assumed to be supported elastically on concrete sleepers by resilient rail-pads inserted between them. The elasticities and the masses of track materials and those of the roadbed are also taken into consideration. It is shown that after an impulse is applied to the track, not only is a vibration with a comparatively low natural frequency generated, but also traveling waves with higher frequencies, and the latter propagate lengthwise along the track or downwards into the roadbed. With the assumption that the power spectral density of the unevennesses on the rail surface is in proportion to the third power of the wavelength, or to (wavenumber) -3, the amplitudes of the vibrations in railway tracks supported by rail-pads and roadbeds with various magnitudes of elastic constants are analyzed and the values for each one-third octave band are estimated. The velocity of the vibration takes on a maximum value for the band with a center frequency of 63 Hz, which corresponds to the resonant frequency of the system composed of the wheel and the track. As the frequency increases beyond this value, the velocity of the vibration takes on a second maximum value at a frequency of about 1000 Hz. These estimates are compared with the data obtained from field measurements and reasonably good correlations are found between them.

  14. Relativistic theory for time and frequency transfer to order c-3

    NASA Astrophysics Data System (ADS)

    Blanchet, L.; Salomon, C.; Teyssandier, P.; Wolf, P.

    2001-04-01

    This paper is motivated by the current development of several space missions (e.g. ACES on International Space Station) that will use Earth-orbit laser cooled atomic clocks, providing a time-keeping accuracy of the order of 5 10-17 in fractional frequency. We show that to such accuracy, the theory of frequency transfer between Earth and Space must be extended from the currently known relativistic order 1/c2 (which has been needed in previous space experiments such as GP-A) to the next relativistic correction of order 1/c3. We find that the frequency transfer includes the first and second-order Doppler contributions, the Einstein gravitational red-shift and, at the order 1/c3, a mixture of these effects. As for the time transfer, it contains the standard Shapiro time delay, and we present an expression also including the first and second-order Sagnac corrections. Higher-order relativistic corrections, at least {cal O}(1/c4), are numerically negligible for time and frequency transfers in these experiments, being for instance of order 10-20 in fractional frequency. Particular attention is paid to the problem of the frequency transfer in the two-way experimental configuration. In this case we find a simple theoretical expression which extends the previous formula (Vessot et al. \\cite{VessotLevine}) to the next order 1/c3. In the Appendix we present the detailed proofs of all the formulas which will be needed in such experiments.

  15. An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Martin, Jan M. L.; Taylor, Peter R.

    1995-01-01

    A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.

  16. Donor exciton of cobalt and its interaction with lattice vibrations in the semiconductor crystal ZnO:Co

    NASA Astrophysics Data System (ADS)

    Gruzdev, N. B.; Sokolov, V. I.; Yemelchenko, G. A.

    2009-01-01

    Vibrational states interacting with a donor exciton in the compound ZnO:Co are revealed by the sensitive method of field exciton-vibrational spectroscopy. The vibrational modes of the electroabsorption spectrum of the compound ZnO:Co in the region of the donor exciton are given an interpretation based on the existing data on the symmetrized local density of states of the compounds ZnO and ZnO :Ni3+. The results are compared with the known data for II-VI:Ni compounds in the case of an acceptor exciton. The position of the donor level of the Co2+ ion relative to the bottom of the conduction band in the given compound is determined and found to conform well to the universal trend for donor levels of 3d ions in II-VI compounds.

  17. A Pictorial Visualization of Normal Mode Vibrations of the Fullerene (C[subscript 60]) Molecule in Terms of Vibrations of a Hollow Sphere

    ERIC Educational Resources Information Center

    Dunn, Janette L.

    2010-01-01

    Understanding the normal mode vibrations of a molecule is important in the analysis of vibrational spectra. However, the complicated 3D motion of large molecules can be difficult to interpret. We show how images of normal modes of the fullerene molecule C[subscript 60] can be made easier to understand by superimposing them on images of the normal…

  18. Alkyl chain interaction at the surface of room temperature ionic liquids: systematic variation of alkyl chain length (R = C(1)-C(4), C(8)) in both cation and anion of [RMIM][R-OSO(3)] by sum frequency generation and surface tension.

    PubMed

    Santos, Cherry S; Baldelli, Steven

    2009-01-29

    The gas-liquid interface of halide-free 1,3-dialkylimidazolium alkyl sulfates [RMIM][R-OSO(3)] with R chain length from C(1)-C(4) and C(8) has been studied systematically using the surface-specific sum frequency generation (SFG) vibrational spectroscopy and surface tension measurements. From the SFG spectra, vibrational modes from the methyl group of both cation and anion are observed for all ionic liquid samples considered in the present study. These results suggest the presence of both ions at the gas-liquid interface, which is further supported by surface tension measurements. Surface tension data show a decreasing trend as the alkyl chain in the imidazolium cation is varied from methyl to butyl chain, with a specific anion. A similar trend is observed when the alkyl chain of the anion is modified and the cation is fixed.

  19. O2(a1Δ) vibrational kinetics in oxygen-iodine laser

    NASA Astrophysics Data System (ADS)

    Torbin, A. P.; Pershin, A. A.; Heaven, M. C.; Azyazov, V. N.; Mebel, A. M.

    2018-04-01

    Kinetics of vibrationally-excited singlet oxygen O2(a1Δ,ν) in gas mixture O3/N2/CO2 was studied using a pulse laser technique. Molecules O2(a1Δ,ν) were produced by laser photolysis of ozone at 266 nm. The O3 molecules number density was followed using time-resolved absorption spectroscopy. It was found that an upper bound for the rate constant of chemical reaction O2(a1Δ,ν)+ O3 is about 10-15 cm3/s. The rate constants of O2(a1Δ,ν= 1, 2 and 3) quenching by CO2 are presented.

  20. Accurate theoretical prediction of vibrational frequencies in an inhomogeneous dynamic environment: A case study of a glutamate molecule in water solution and in a protein-bound form

    PubMed Central

    Speranskiy, Kirill; Kurnikova, Maria

    2012-01-01

    We propose a hierarchical approach to model vibrational frequencies of a ligand in a strongly fluctuating inhomogeneous environment such as a liquid solution or when bound to a macromolecule, e.g., a protein. Vibrational frequencies typically measured experimentally are ensemble averaged quantities which result (in part) from the influence of the strongly fluctuating solvent. Solvent fluctuations can be sampled effectively by a classical molecular simulation, which in our model serves as the first, low level of the hierarchy. At the second high level of the hierarchy a small subset of system coordinates is used to construct a patch of the potential surface (ab initio) relevant to the vibration in question. This subset of coordinates is under the influence of an instantaneous external force exerted by the environment. The force is calculated at the lower level of the hierarchy. The proposed methodology is applied to model vibrational frequencies of a glutamate in water and when bound to the Glutamate receptor protein and its mutant. Our results are in close agreement with the experimental values and frequency shifts measured by the Jayaraman group by the Fourier transform infrared spectroscopy [Q. Cheng et al., Biochem. 41, 1602 (2002)]. Our methodology proved useful in successfully reproducing vibrational frequencies of a ligand in such a soft, flexible, and strongly inhomogeneous protein as the Glutamate receptor. PMID:15260697

  1. Neural Categorization of Vibrotactile Frequency in Flutter and Vibration Stimulations: An fMRI Study.

    PubMed

    Kim, Junsuk; Chung, Yoon Gi; Chung, Soon-Cheol; Bulthoff, Heinrich H; Kim, Sung-Phil

    2016-01-01

    As the use of wearable haptic devices with vibrating alert features is commonplace, an understanding of the perceptual categorization of vibrotactile frequencies has become important. This understanding can be substantially enhanced by unveiling how neural activity represents vibrotactile frequency information. Using functional magnetic resonance imaging (fMRI), this study investigated categorical clustering patterns of the frequency-dependent neural activity evoked by vibrotactile stimuli with gradually changing frequencies from 20 to 200 Hz. First, a searchlight multi-voxel pattern analysis (MVPA) was used to find brain regions exhibiting neural activities associated with frequency information. We found that the contralateral postcentral gyrus (S1) and the supramarginal gyrus (SMG) carried frequency-dependent information. Next, we applied multidimensional scaling (MDS) to find low-dimensional neural representations of different frequencies obtained from the multi-voxel activity patterns within these regions. The clustering analysis on the MDS results showed that neural activity patterns of 20-100 Hz and 120-200 Hz were divided into two distinct groups. Interestingly, this neural grouping conformed to the perceptual frequency categories found in the previous behavioral studies. Our findings therefore suggest that neural activity patterns in the somatosensory cortical regions may provide a neural basis for the perceptual categorization of vibrotactile frequency.

  2. The Transition from Hydrogen Bonding to Ionization in (HCI)n(NH3)n and (HCI)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

    NASA Technical Reports Server (NTRS)

    Chaban, Galina M.; Gerber, R. Benny; Janda, Kenneth C.; Kwak, Dochan (Technical Monitor)

    2001-01-01

    Anharmonic vibrational frequencies and intensities are calculated for 1:1 and 2:2 (HCl)(sub n)(NH3)(sub n) and (HCl)(sub n)(H2O)(sub n) complexes, employing the correlation-corrected vibrational self-consistent field method with ab initio potential surfaces at the MP2/TZP computational level. In this method, the anharmonic coupling between all vibrational modes is included, which is found to be important for the systems studied. For the 4:4 (HCl)(sub n)(H2O)(sub n) complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Just as the (HCl)(sub n)(NH3)(sub n) structure switches from hydrogen-bonded to ionic for n=2, the (HCl)(sub n)(H2O)(sub n) switches to ionic structure for n=4. For (HCl)2(H2O)2, the lowest energy structure corresponds to the hydrogen-bonded form. However, configurations of the ionic form are separated from this minimum by a barrier of less than an O-H stretching quantum. This suggests the possibility of experiments on ionization dynamics using infrared excitation of the hydrogen-bonded form. The strong cooperative effects on the hydrogen bonding, and concomitant transition to ionic bonding, makes an accurate estimate of the large anharmonicity crucial for understanding the infrared spectra of these systems. The anharmonicity is typically of the order of several hundred wave numbers for the proton stretching motions involved in hydrogen or ionic bonding, and can also be quite large for the intramolecular modes. In addition, the large cooperative effects in the 2:2 and higher order (HCl(sub n)(H2O)(sub n) complexes may have interesting implications for solvation of hydrogen halides at ice surfaces.

  3. Tool-specific performance of vibration-reducing gloves for attenuating fingers-transmitted vibration

    PubMed Central

    Welcome, Daniel E.; Dong, Ren G.; Xu, Xueyan S.; Warren, Christopher; McDowell, Thomas W.

    2016-01-01

    BACKGROUND Fingers-transmitted vibration can cause vibration-induced white finger. The effectiveness of vibration-reducing (VR) gloves for reducing hand transmitted vibration to the fingers has not been sufficiently examined. OBJECTIVE The objective of this study is to examine tool-specific performance of VR gloves for reducing finger-transmitted vibrations in three orthogonal directions (3D) from powered hand tools. METHODS A transfer function method was used to estimate the tool-specific effectiveness of four typical VR gloves. The transfer functions of the VR glove fingers in three directions were either measured in this study or during a previous study using a 3D laser vibrometer. More than seventy vibration spectra of various tools or machines were used in the estimations. RESULTS When assessed based on frequency-weighted acceleration, the gloves provided little vibration reduction. In some cases, the gloves amplified the vibration by more than 10%, especially the neoprene glove. However, the neoprene glove did the best when the assessment was based on unweighted acceleration. The neoprene glove was able to reduce the vibration by 10% or more of the unweighted vibration for 27 out of the 79 tools. If the dominant vibration of a tool handle or workpiece was in the shear direction relative to the fingers, as observed in the operation of needle scalers, hammer chisels, and bucking bars, the gloves did not reduce the vibration but increased it. CONCLUSIONS This study confirmed that the effectiveness for reducing vibration varied with the gloves and the vibration reduction of each glove depended on tool, vibration direction to the fingers, and finger location. VR gloves, including certified anti-vibration gloves do not provide much vibration reduction when judged based on frequency-weighted acceleration. However, some of the VR gloves can provide more than 10% reduction of the unweighted vibration for some tools or workpieces. Tools and gloves can be matched for

  4. 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.

  5. Structure, vibrations and quantum chemical investigations of hydrogen bonded complex of bis(1-hydroxy-2-methylpropan-2-aminium)selenate

    NASA Astrophysics Data System (ADS)

    Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.

    2017-04-01

    The hydrogen bonded molecular complex bis(1-hydroxy-2-methylpropan-2-aminium)selenate (C8H24N2O6Se) has been prepared by the reaction of 2-amino-2-methyl propanol and selenic acid. The X-ray diffraction analysis revealed that the intermolecular proton transfer from selenic acid (SeO4H2) to 2-amino-2-methylpropanol results in the formation of bis(1-hydroxy-2-methylpropan-2-aminium)selenate (HMPAS) salt and the fragments are connected through H-bonding and ion pairing. The N-H⋯O and O-H⋯O interactions between 2-amino-2-methylpropanol and selenic acid determine the supramolecular arrangement in three-dimensional space. The salt crystallises in the space group P121/n1 of monoclinic system. The complete vibrational assignments of HMPAS have been performed by FTIR and FT-Raman spectroscopy. The experimental data are correlated with the structural properties namely the energy, thermodynamic parameters, atomic charges, hybridization concepts and vibrational frequencies determined by quantum chemical studies performed with B3LYP method using 6-311++G*, 6-31+G* and 6-31G** basis sets.

  6. Two-dimensional vibrational-electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

    2015-10-01

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

  7. Two-dimensional vibrational-electronic spectroscopy.

    PubMed

    Courtney, Trevor L; Fox, Zachary W; Slenkamp, Karla M; Khalil, Munira

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([Fe(III)(CN)6](3-) dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5Fe(II)CNRu(III)(NH3)5](-) dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological

  8. Two-dimensional vibrational-electronic spectroscopy

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

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE)more » to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer

  9. Implausibility of the vibrational theory of olfaction

    DOE PAGES

    Block, Eric; Ertem, Mehmed Z.; Jang, Seogjoo; ...

    2015-04-21

    The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of thesemore » compounds in vitro. Furthermore, the mouse (methylthio)methanethiol (MTMT)-recognizing receptor, MOR244-3, and other selected human and mouse ORs, responded similarly to normal, deuterated, and ¹³C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d₃₀ lacks the 1,380-1,550 cm⁻¹ IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of non-odorant molecular vibrational modes. As a result, these and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.« less

  10. Implausibility of the vibrational theory of olfaction

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

    Block, Eric; Ertem, Mehmed Z.; Jang, Seogjoo

    The vibrational theory of olfaction assumes that electron transfer occurs across odorants at the active sites of odorant receptors (ORs), serving as a sensitive measure of odorant vibrational frequencies, ultimately leading to olfactory perception. A previous study reported that human subjects differentiated hydrogen/deuterium isotopomers (isomers with isotopic atoms) of the musk compound cyclopentadecanone as evidence supporting the theory. Here, we find no evidence for such differentiation at the molecular level. In fact, we find that the human musk-recognizing receptor, OR5AN1, identified using a heterologous OR expression system and robustly responding to cyclopentadecanone and muscone, fails to distinguish isotopomers of thesemore » compounds in vitro. Furthermore, the mouse (methylthio)methanethiol (MTMT)-recognizing receptor, MOR244-3, and other selected human and mouse ORs, responded similarly to normal, deuterated, and ¹³C isotopomers of their respective ligands, paralleling our results with the musk receptor OR5AN1. These findings suggest that the proposed vibration theory does not apply to the human musk receptor OR5AN1, mouse thiol receptor MOR244-3, or other ORs examined. Also, contrary to the vibration theory predictions, muscone-d₃₀ lacks the 1,380-1,550 cm⁻¹ IR bands claimed to be essential for musk odor. Furthermore, our theoretical analysis shows that the proposed electron transfer mechanism of the vibrational frequencies of odorants could be easily suppressed by quantum effects of non-odorant molecular vibrational modes. As a result, these and other concerns about electron transfer at ORs, together with our extensive experimental data, argue against the plausibility of the vibration theory.« less

  11. Laser-driven high-frequency vibrations of metal blister surface

    NASA Astrophysics Data System (ADS)

    Kononenko, T. V.; Sinyavsky, M. N.; Konov, V. I.; Sentis, M.

    2013-09-01

    Time-resolved interferometric microscopy was applied to investigate laser-induced blistering of a titanium film on a silica substrate. Ablation of the titanium/silica interface by single 0.7 ns pulses within a certain fluence range results in local exfoliation of the metal film from the substrate avoiding, however, complete film destruction. Time-dependent transformation of the metal surface profile was reconstructed from the interference patterns within 0-13 ns time delay range. Transverse annular waves with typical amplitude of one hundred of nanometers and estimated traveling speed of few kilometers per second were revealed on the blister surface. The wave occurrence was attributed to fast inhomogeneous bending of the film covering the expanding blister. The resultant high-frequency (˜1 GHz) vibrations of the metal surface provide intensive inertial forces when such metalized target is used for blister-based laser-induced forward transfer of nanopowders and organic molecules.

  12. Effects of vibration and shock on the performance of gas-bearing space-power Brayton cycle turbomachinery. Part 3: Sinusoidal and random vibration data reduction and evaluation, and random vibration probability analysis

    NASA Technical Reports Server (NTRS)

    Tessarzik, J. M.; Chiang, T.; Badgley, R. H.

    1973-01-01

    The random vibration response of a gas bearing rotor support system has been experimentally and analytically investigated in the amplitude and frequency domains. The NASA Brayton Rotating Unit (BRU), a 36,000 rpm, 10 KWe turbogenerator had previously been subjected in the laboratory to external random vibrations, and the response data recorded on magnetic tape. This data has now been experimentally analyzed for amplitude distribution and magnetic tape. This data has now been experimentally analyzed for amplitude distribution and frequency content. The results of the power spectral density analysis indicate strong vibration responses for the major rotor-bearing system components at frequencies which correspond closely to their resonant frequencies obtained under periodic vibration testing. The results of amplitude analysis indicate an increasing shift towards non-Gaussian distributions as the input level of external vibrations is raised. Analysis of axial random vibration response of the BRU was performed by using a linear three-mass model. Power spectral densities, the root-mean-square value of the thrust bearing surface contact were calculated for specified input random excitation.

  13. Impact of acoustic airflow on intrasinus drug deposition: New insights into the vibrating mode and the optimal acoustic frequency to enhance the delivery of nebulized antibiotic.

    PubMed

    Leclerc, Lara; Merhie, Amira El; Navarro, Laurent; Prévôt, Nathalie; Durand, Marc; Pourchez, Jérémie

    2015-10-15

    We investigated the impact of vibrating acoustic airflow, the high frequency (f≥100 Hz) and the low frequency (f≤45 Hz) sound waves, on the enhancement of intrasinus drug deposition. (81m)Kr-gas ventilation study was performed in a plastinated human cast with and without the addition of vibrating acoustic airflow. Similarly, intrasinus drug deposition in a nasal replica using gentamicin as a marker was studied with and without the superposition of different modes of acoustic airflow. Ventilation experiments demonstrate that no sinus ventilation was observed without acoustic airflow although sinus ventilation occurred whatever the modes of acoustic airflow applied. Intrasinus drug deposition experiments showed that the high frequency acoustic airflow led to 4-fold increase in gentamicin deposition into the left maxillary sinus and to 2-fold deposition increase into the right maxillary sinus. Besides, the low frequency acoustic airflow demonstrated a significant increase of 4-fold and 2-fold in the right and left maxillary sinuses, respectively. We demonstrated the benefit of different modes of vibrating acoustic airflow for maxillary sinus ventilation and intrasinus drug deposition. The degree of gentamicin deposition varies as a function of frequency of the vibrating acoustic airflow and the geometry of the ostia. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Rohlfing, Celeste MCM.; Rice, Julia E.

    1992-01-01

    Quantum mechanical computational methods are employed for an ab initio investigation of: (1) the molecular properties of the lowest isomers of the ClO dimer; and (2) predicted molecular and thermochemical properties. Techniques employed include electron correlation and particularly singles and doubles coupled-cluster (CCSD) theory with or without perturbational estimates of the effects of connected triple excitations. The isomers ClOClO and ClClO2 are found to have higher energies than the ClOOCl isomer, and the theoretical vibrational frequencies of the isomers are well correlated with experimental data. Experimental values of the heat of formation for the isomers are also compared with calculations based on an isodesmic reaction with Cl2O, H2O, and HOOH.

  15. Masking of thresholds for the perception of fore-and-aft vibration of seat backrests.

    PubMed

    Morioka, Miyuki; Griffin, Michael J

    2015-09-01

    The detection of a vibration may be reduced by the presence of another vibration: a phenomenon known as 'masking'. This study investigated how the detection of one frequency of vibration is influenced by vibration at another frequency. With nine subjects, thresholds for detecting fore-and-aft backrest vibration were determined (for 4, 8, 16, and 31.5-Hz sinusoidal vibration) in the presence of a masker vibration (4-Hz random vibration, 1/3-octave bandwidth at six intensities). The masker vibration increased thresholds for perceiving vibration at each frequency by an amount that reduced with increasing difference between the frequency of the sinusoidal vibration and the frequency of the masker vibration. The 4-Hz random vibration almost completely masked 4-Hz sinusoidal vibration, partially masked 8- and 16-Hz vibration, and only slightly masked 31.5-Hz vibration. The findings might be explained by the involvement of different sensory systems and different body locations in the detection of different frequencies of vibration. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

  16. Intensity enhancement of vibrational sum frequency generation by gap-mode plasmon resonance

    NASA Astrophysics Data System (ADS)

    Okuno, Masanari; Tokimoto, Taichi; Eguchi, Miharu; Kano, Hideaki; Ishibashi, Taka-aki

    2015-10-01

    A metal sphere-plane structure consisting of gold nanoparticles, p-methylbenzenethiol and a gold substrate was measured by vibrational sum frequency generation spectroscopy with four excitation wavelengths, 630, 680, 720, and 780 nm. The enhancement factors of Raman signals were estimated to be 250 and 104 for the 532 and 647 nm excitation. Contrastingly, we found that the enhancements of VSFG signals were much smaller, a factor of 5 at maximum. We speculate that the small enhancement factor of VSFG signals is due to the coherent nature of the VSFG process or the extinction of the infrared laser by the gold nanoparticles.

  17. High-frequency vibration energy harvesting from impulsive excitation utilizing intentional dynamic instability caused by strong nonlinearity

    NASA Astrophysics Data System (ADS)

    Remick, Kevin; Dane Quinn, D.; Michael McFarland, D.; Bergman, Lawrence; Vakakis, Alexander

    2016-05-01

    The authors investigate a vibration-based energy harvesting system utilizing essential (nonlinearizable) nonlinearities and electromagnetic coupling elements. The system consists of a grounded, weakly damped linear oscillator (primary system) subjected to a single impulsive load. This primary system is coupled to a lightweight, damped oscillating attachment (denoted as nonlinear energy sink, NES) via a neodymium magnet and an inductance coil, and a piano wire, which generates an essential geometric cubic stiffness nonlinearity. Under impulsive input, the transient damped dynamics of this system exhibit transient resonance captures (TRCs) causing intentional large-amplitude and high-frequency instabilities in the response of the NES. These TRCs result in strong energy transfer from the directly excited primary system to the light-weight attachment. The energy is harvested by the electromagnetic elements in the coupling and, in the present case, dissipated in a resistive element in the electrical circuit. The primary goal of this work is to numerically, analytically, and experimentally demonstrate the efficacy of employing this type of intentional high-frequency dynamic instability to achieve enhanced vibration energy harvesting under impulsive excitation.

  18. A comparison of the far-infrared and low-frequency Raman spectra of glass-forming liquids

    NASA Astrophysics Data System (ADS)

    Perova, T. S.; Vij, J. K.; Christensen, D. H.; Nielsen, O. F.

    1999-04-01

    Far-infrared and low-frequency Raman spectra in the wavenumber range from 15 to 500 cm -1 were recorded for glycerol, triacetin (glycerol triacetate) and o-terphenyl at temperatures from 253 to 355 K. The far-infrared spectra of glycerol appear complex compared with the spectra of triacetin owing to the presence of hydrogen bonding in glycerol. The experimental results obtained for o-terphenyl are in good agreement with normal mode analyses carried out for crystalline o-terphenyl (A. Criado, F.J. Bermejo, A. de Andres, Mol. Phys. 82 (1994) 787). The far-infrared results are compared with the low-frequency Raman spectra of these three glass-forming liquids. The difference in temperature dependences found from these spectra is explained on the basis of different temperature contributions of the relaxational and vibrational processes to the low-frequency vibrational spectra.

  19. Passively damped vibration welding system and method

    DOEpatents

    Tan, Chin-An; Kang, Bongsu; Cai, Wayne W.; Wu, Tao

    2013-04-02

    A vibration welding system includes a controller, welding horn, an anvil, and a passive damping mechanism (PDM). The controller generates an input signal having a calibrated frequency. The horn vibrates in a desirable first direction at the calibrated frequency in response to the input signal to form a weld in a work piece. The PDM is positioned with respect to the system, and substantially damps or attenuates vibration in an undesirable second direction. A method includes connecting the PDM having calibrated properties and a natural frequency to an anvil of an ultrasonic welding system. Then, an input signal is generated using a weld controller. The method includes vibrating a welding horn in a desirable direction in response to the input signal, and passively damping vibration in an undesirable direction using the PDM.

  20. Theoretical study of sum-frequency vibrational spectroscopy on limonene surface

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

    Zheng, Ren-Hui, E-mail: zrh@iccas.ac.cn; Liu, Hao; Jing, Yuan-Yuan

    2014-03-14

    By combining molecule dynamics (MD) simulation and quantum chemistry computation, we calculate the surface sum-frequency vibrational spectroscopy (SFVS) of R-limonene molecules at the gas-liquid interface for SSP, PPP, and SPS polarization combinations. The distributions of the Euler angles are obtained using MD simulation, the ψ-distribution is between isotropic and Gaussian. Instead of the MD distributions, different analytical distributions such as the δ-function, Gaussian and isotropic distributions are applied to simulate surface SFVS. We find that different distributions significantly affect the absolute SFVS intensity and also influence on relative SFVS intensity, and the δ-function distribution should be used with caution whenmore » the orientation distribution is broad. Furthermore, the reason that the SPS signal is weak in reflected arrangement is discussed.« less