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Sample records for c-o vibrational frequencies

  1. Theoretical Study of the Electrostatic and Steric Effects on the Spectroscopic Characteristics of the Metal-Ligand Unit of Heme Proteins. 2. C-O Vibrational Frequencies, 17O Isotropic Chemical Shifts, and Nuclear Quadrupole Coupling Constants

    PubMed Central

    Kushkuley, Boris; Stavrov, Solomon S.

    1997-01-01

    The quantum chemical calculations, vibronic theory of activation, and London-Pople approach are used to study the dependence of the C-O vibrational frequency, 17O isotropic chemical shift, and nuclear quadrupole coupling constant on the distortion of the porphyrin ring and geometry of the CO coordination, changes in the iron-carbon and iron-imidazole distances, magnitude of the iron displacement out of the porphyrin plane, and presence of the charged groups in the heme environment. It is shown that only the electrostatic interactions can cause the variation of all these parameters experimentally observed in different heme proteins, and the heme distortions could modulate this variation. The correlations between the theoretically calculated parameters are shown to be close to the experimentally observed ones. The study of the effect of the electric field of the distal histidine shows that the presence of the four C-O vibrational bands in the infrared absorption spectra of the carbon monoxide complexes of different myoglobins and hemoglobins can be caused by the different orientations of the different tautomeric forms of the distal histidine. The dependence of the 17O isotropic chemical shift and nuclear quadrupole coupling constant on pH and the distal histidine substitution can be also explained from the same point of view. PMID:9017215

  2. 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

    SciTech Connect

    Ki Deok Park; Guo, K.; Adebodun, F.; Chiu, M.L.; Sligar, S.G.; Oldfield, E. )

    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 show 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.

  3. The vibrational frequencies of difluoroethyne

    NASA Technical Reports Server (NTRS)

    Breidung, Juergen; Schneider, Winfried; Thiel, Walter; Lee, Timothy J.

    1992-01-01

    Ab initio coupled-cluster calculations with single and double excitations and with a perturbational treatment of connected triple excitations are reported for difluoroethyne using large basis sets. The results for the transbending mode nu-4 are extremely sensitive to electron correlation and basis set effects. The best theoretical and experimental estimates for the fundamental vibrational frequencies are in excellent agreement.

  4. 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.

  5. 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 C17O- and 13CO-labeled species.

    PubMed

    Park, K D; Guo, K M; Adebodun, F; Chiu, M L; Sligar, S G; Oldfield, E

    1991-03-05

    We have obtained the oxygen-17 nuclear magnetic resonance (NMR) spectra of a variety of C17O-labeled heme proteins, including sperm whale (Physeter catodon) myoglobin, two synthetic sperm whale myoglobin mutants (His E7----Val E7; His E7----Phe E7), adult human hemoglobin, rabbit (Oryctolagus cuniculus) hemoglobin, horseradish (Cochlearia armoracia) peroxidase (E.C. 1.11.1.7) isoenzymes A and C, and Caldariomyces fumago chloroperoxidase (E.C. 1.11.1.10), in some cases as a function of pH, and have determined their isotropic 17O NMR chemical shifts, delta i, and spin-lattice relaxation times, T1. We have also obtained similar results on a picket fence prophyrin, [5,10,15,20-tetrakis(alpha, alpha, alpha, alpha, alpha-pivalamidophenyl)porphyrinato]iron(II) (1-MeIm)CO, both in solution and in the solid state. Our results show an excellent correlation between the infrared C-O vibrational frequencies, v(C-O), and delta i, between v(C-O) and the 17O nuclear quadrupole coupling constant (e2qQ/h, derived from T1), and as expected between e2qQ/h and delta i. Taken together with the work of others on the 13C NMR of 13CO-labeled proteins, where we find an excellent correlation between delta i(13C) and v(Fe-C), our results suggest that 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 [Li, X.-Y., & Spiro, T.G. (1988) J. Am. Chem. Soc. 110, 6024]. The modulation of this interaction by the local charge field of the distal heme residue (histidine, glutamine, arginine, and possibly lysine) in a variety of species and mutants, as reflected in the NMR and IR measurements, is discussed, as is the effect of cysteine as the proximal heme ligand.

  6. 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.

  7. Wireless vibration sensor using frequency modulation technique

    NASA Astrophysics Data System (ADS)

    Kim, Minhyuck; Yoon, Hwan-Sik; Kim, Sehun; Kim, Joo-Hyung

    2012-04-01

    In recent years, wireless strain sensors have received attention as an efficient method to measure response of a structure in a remote location. Wireless sensors developed for remote measurement include RF wireless sensor modules and microstrip antenna-based sensors. In this paper, a simple wireless vibration sensor based on a piezoelectric sensor and the Frequency Modulation (FM) technique is developed for remote measurement of vibrating structures. The piezoelectric sensor can generate a voltage signal proportional to dynamic strain of the host structure. The voltage signal is then frequency modulated and transmitted wirelessly to a remote station by a simple FM transmitter circuit. Finally, the received signal is demodulated by a conventional FM radio circuit, and the vibration measurement data can be recovered. Since this type of wireless sensor employs a simple FM circuit, they do not require any wireless data transmission protocols allowing a low-cost wireless sensor in compact format. The proposed concept of the wireless vibration measurement is experimentally verified by measuring vibration of an aluminum cantilever beam. The proposed sensor could potentially be an efficient and cost effective method for measuring vibration of remote structures for dynamic testing or structural health monitoring.

  8. Normal vibration frequencies of the vocal ligament

    NASA Astrophysics Data System (ADS)

    Titze, Ingo R.; Hunter, Eric J.

    2004-05-01

    The vocal ligament is the tension-bearing element in the vocal folds at high pitches. It has traditionally been treated as a vibrating string, with only length and longitudinal stress governing its normal mode frequencies. Results of this investigation show that, when bending stiffness and variable cross section are included, the lowest normal mode frequency can more than double, depending on the strain of the ligament. This suggests that much higher phonation frequencies may be achievable than heretofore thought for a given vocal fold length (e.g., nearly 1000 Hz at 50% elongation over cadaveric resting length). It also brings back into the discussion the concept of ``damping,'' an old misnomer for a reduction of the effective length of vibration of the vocal folds by relatively stiff boundary segments known as macula flavae. A formula is given for correcting the ideal string equation for the lowest mode frequency to include bending stiffness and macula flavae effects.

  9. Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: matrix infrared spectra and anharmonic frequency calculations.

    PubMed

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

    2013-10-28

    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.

  10. Nonlinear frequency response analysis of structural vibrations

    NASA Astrophysics Data System (ADS)

    Weeger, Oliver; Wever, Utz; Simeon, Bernd

    2014-12-01

    In this paper we present a method for nonlinear frequency response analysis of mechanical vibrations of 3-dimensional solid structures. For computing nonlinear frequency response to periodic excitations, we employ the well-established harmonic balance method. A fundamental aspect for allowing a large-scale application of the method is model order reduction of the discretized equation of motion. Therefore we propose the utilization of a modal projection method enhanced with modal derivatives, providing second-order information. For an efficient spatial discretization of continuum mechanics nonlinear partial differential equations, including large deformations and hyperelastic material laws, we employ the concept of isogeometric analysis. Isogeometric finite element methods have already been shown to possess advantages over classical finite element discretizations in terms of higher accuracy of numerical approximations in the fields of linear vibration and static large deformation analysis. With several computational examples, we demonstrate the applicability and accuracy of the modal derivative reduction method for nonlinear static computations and vibration analysis. Thus, the presented method opens a promising perspective on application of nonlinear frequency analysis to large-scale industrial problems.

  11. Ultrasound vibrometry using orthogonal- frequency-based vibration pulses.

    PubMed

    Zheng, Yi; Yao, Aiping; Chen, Shigao; Urban, Matthew W; Lin, Haoming; Chen, Xin; Guo, Yanrong; Chen, Ke; Wang, Tianfu; Chen, Siping

    2013-11-01

    New vibration pulses are developed for shear wave generation in a tissue region with preferred spectral distributions for ultrasound vibrometry applications. The primary objective of this work is to increase the frequency range of detectable harmonics of the shear wave. The secondary objective is to reduce the required peak intensity of transmitted pulses that induce the vibrations and shear waves. Unlike the periodic binary vibration pulses, the new vibration pulses have multiple pulses in one fundamental period of the vibration. The pulses are generated from an orthogonal-frequency wave composed of several sinusoidal signals, the amplitudes of which increase with frequency to compensate for higher loss at higher frequency in tissues. The new method has been evaluated by studying the shear wave propagation in in vitro chicken and swine liver. The experimental results show that the new vibration pulses significantly increase tissue vibration with a reduced peak ultrasound intensity, compared with the binary vibration pulses.

  12. The strongest CO binding and the highest C-O stretching frequency.

    PubMed

    Saha, Ranajit; Pan, Sudip; Frenking, Gernot; Chattaraj, Pratim K; Merino, Gabriel

    2017-01-18

    A coupled-cluster study is performed on CO bound BeY complexes (Y = O, CO3, SO4, NH, NCN, and NBO) to understand the effect of attached ligands (Y) on the CO binding ability and C-O stretching frequency (νCO). Herein, we report that BeNCN has the highest CO binding ability (via both C- and O-side binding) among the studied neutral Be-based clusters, whereas OCBeSO4 has the highest νCO among the neutral carbonyls. The nature and extent of shift in νCO compared to free CO are explained in terms of change in polarization in the bonding orbitals of CO and relative contribution from OC→BeY or CO→BeY σ-donation, and OC←BeY or CO←BeY π-back-donation. The largest blue-shift in OCBeSO4 and the largest red-shift in COBeNH are consequences of the smallest OC←BeSO4 π-back-donation and the largest CO←BeNH π-back-donation, respectively.

  13. Tuning vibrational mode localization with frequency windowing

    NASA Astrophysics Data System (ADS)

    Cheng, Xiaolu; Talbot, Justin J.; Steele, Ryan P.

    2016-09-01

    Local-mode coordinates have previously been shown to be an effective starting point for anharmonic vibrational spectroscopy calculations. This general approach borrows techniques from localized-orbital machinery in electronic structure theory and generates a new set of spatially localized vibrational modes. These modes exhibit a well-behaved spatial decay of anharmonic mode couplings, which, in turn, allows for a systematic, a priori truncation of couplings and increased computational efficiency. Fully localized modes, however, have been found to lead to unintuitive mixtures of characteristic motions, such as stretches and bends, and accordingly large bilinear couplings. In this work, a very simple, tunable localization frequency window is introduced, in order to realize the transition from normal modes to fully localized modes. Partial localization can be achieved by localizing only pairs of modes within this traveling frequency window, which allows for intuitive interpretation of modes. The optimal window size is suggested to be a few hundreds of wave numbers, based on small- to medium-sized test systems, including water clusters and polypeptides. The new sets of partially localized coordinates retain their spatial coupling decay behavior while providing a reduced number of potential energy evaluations for convergence of anharmonic spectra.

  14. The effects of vibration on explosive and reactive strength when applying individualized vibration frequencies.

    PubMed

    Di Giminiani, Riccardo; Tihanyi, Jozsef; Safar, Sandor; Scrimaglio, Renato

    2009-01-15

    The aim of this study was to assess the effects of 8 weeks of whole-body vibrations on explosive and reactive leg strength. Thirty-three physically active students took part in the study and were randomly assigned to an individualized-vibration group, a fixed-vibration group or a control group. The frequency of vibration was set to 30 Hz for the fixed-vibration group, whereas the frequency for the individualized-vibration group was determined by monitoring the participants' EMGrms activity. The participants in the two vibration groups were exposed three times a week for 8 weeks to a series of 10 x 1-min whole-body vibrations with a 1-min pause between series of vibrations and a 4-min pause after the first five series of vibrations. Jump height in the squat jump increased significantly in all three groups (by 11% for the individualized-vibration group, p=0.001; by 3% for the fixed-vibration group, p=0.011; and by 2% for the control group, p=0.006), but countermovement jump height was not affected. In continuous rebound jumps by the individualized-vibration group, jumping height increased by 22% (p=0.006) and power increased by 18% (p=0.002). The results of this study suggest that the use of an individualized vibration frequency produces a greater response from the neuromuscular system and is more beneficial than vibrations at a fixed pre-selected frequency.

  15. Frequency-Dependent Attenuation of Blasting Vibration Waves

    NASA Astrophysics Data System (ADS)

    Zhou, Junru; Lu, Wenbo; Yan, Peng; Chen, Ming; Wang, Gaohui

    2016-10-01

    The dominant frequency, in addition to the peak particle velocity, is a critical factor for assessing adverse effects of the blasting vibration on surrounding structures; however, it has not been fully considered in blasting design. Therefore, the dominant frequency-dependent attenuation mechanism of blast-induced vibration is investigated in the present research. Starting with blasting vibration induced by a spherical charge propagating in an infinite viscoelastic medium, a modified expression of the vibration amplitude spectrum was derived to reveal the frequency dependency of attenuation. Then, ground vibration induced by more complex and more commonly used cylindrical charge that propagates in a semi-infinite viscoelastic medium was analyzed by numerical simulation. Results demonstrate that the absorptive property of the medium results in the frequency attenuation versus distance, whereas a rapid drop or fluctuation occurs during the attenuation of ground vibration. Fluctuation usually appears at moderate to far field, and the dominant frequency generally decreases to half the original value when rapid drop occurs. The decay rate discrepancy between different frequency components and the multimodal structure of vibration spectrum lead to the unsmooth frequency-dependent attenuation. The above research is verified by two field experiments. Furthermore, according to frequency-based vibration standards, frequency drop and fluctuation should be considered when evaluating blast safety. An optimized piecewise assessment is proposed for more accurate evaluation: With the frequency drop point as the breakpoint, the assessment is divided into two independent sections along the propagating path.

  16. 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.

  17. Lattice vibrational modes and their frequency shifts in semiconductor nanowires.

    PubMed

    Yang, Li; Chou, M Y

    2011-07-13

    We have performed first-principles calculations to study the lattice vibrational modes and their Raman activities in silicon nanowires (SiNWs). Two types of characteristic vibrational modes are examined: high-frequency optical modes and low-frequency confined modes. Their frequencies have opposite size dependence with a red shift for the optical modes and a blue shift for the confined modes as the diameter of SiNWs decreases. In addition, our calculations show that these vibrational modes can be detected by Raman scattering measurements, providing an efficient way to estimate the size of SiNWs.

  18. Sweeping tuneable vibration absorbers for low-mid frequencies vibration control

    NASA Astrophysics Data System (ADS)

    Gardonio, P.; Zilletti, M.

    2015-10-01

    This paper presents a simulation study concerning the low-mid frequencies control of flexural vibration in a lightly damped thin plate, which is equipped with three sweeping tuneable vibration absorbers and is excited by a rain on the roof broad frequency band stationary disturbance. The sweeping tuneable vibration absorbers are semi-active mass-spring-dashpot systems whose stiffness and damping properties can be varied uniformly within given ranges. They are operated in such a way as their characteristic natural frequencies are continuously varied to control the response of flexural modes that resonate within given frequency bands. More specifically, in this study the three sweeping tuneable vibration absorbers are operated asynchronously, each within one of three sequential frequency bands comprised between 20 and 120, 120 and 220, 220 and 320 Hz. The flexural vibration control effects produced by the three sweeping tuneable vibration absorbers are compared to those produced by three classical tuneable vibration absorbers, each set to control the response of a specific flexural mode of the plate resonating in one of these three frequency bands. The study shows that the proposed sweeping tuneable vibration absorbers outperform the classical tuneable vibration absorbers and produce about 6, 5, 4 dB reduction of the plate overall flexural response in the three frequency bands of operation. Also, the study indicates that the sweeping tuneable vibration absorbers are robust to variations in the plate flexural response. For instance they still produce about 5.1, 5.3, 4.6 dB reductions of the flexural response in the three frequency bands of operation when the plate is tensioned such that the flexural natural frequencies are shifted up from about 40 percent, for the first resonance, to 7 percent, for the tenth resonance.

  19. Vibrating Frequency Thresholds in Mice and Rats: Implications for the Effects of Vibrations on Animal Health.

    PubMed

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

    2015-08-01

    Vibrations in research facilities can cause complex animal behavioral and physiological responses that can affect animal health and research outcomes. The goal of this study was to determine the range of frequency values, where animals are unable to attenuate vibrations, and therefore may be most susceptible to their effects. Anesthetized and euthanized adult rats and mice were exposed to vibration frequencies over a wide range (0-600 Hz) and at a constant magnitude of 0.3 m/s(2). Euthanized animals were additionally exposed to vibrations at an acceleration of 1 m/s(2). The data showed that at most frequencies rodents were able to attenuate vibration magnitudes, with values for the back-mounted accelerometer being substantially less than that of the table. At frequencies of 41-60 Hz mice did not attenuate vibration magnitude, but instead the magnitude of the table and animal were equal or amplified. Rats experienced the same pattern of non-attenuation between 31 and 50 Hz. Once euthanized, the mice vibrated at a slightly more elevated frequency (up to 100 Hz). Based on these results, it may be prudent that in laboratory settings, vibrations in the ranges reported here should be accounted for as possible contributors to animal stress and/or biomechanical changes.

  20. Experimental and theoretical study of absorption spectrum of the (CH3)2CO···HF complex. Influence of anharmonic interactions on the frequency and intensity of the C=O and H-F stretching bands.

    PubMed

    Bulychev, V P; Svishcheva, E A; Tokhadze, K G

    2014-01-03

    IR absorption spectra of mixtures (CH3)2CO/HF and free (CH3)2CO molecules are recorded in the region of 4000-900 cm(-1) with a Bruker IFS-125 HR vacuum Fourier spectrometer at room temperature with a resolution up to 0.02 cm(-1). Spectral characteristics of the 2ν(C=O) overtone band of free acetone are reliably measured. The ν1(HF) and ν(C=O) absorption bands of the (CH3)2CO···HF complex are obtained by subtracting the absorption bands of free HF and acetone and absorption lines of atmospheric water from the experimental spectrum of mixtures. The experimental data are compared with theoretical results obtained from variational solutions of 1D-4D vibrational Schrödinger equations. The anharmonic potential energy and dipole moment surfaces used in the calculations were computed in the MP2/6-311++G(2d,2p) approximation with corrections for the basis set superposition error. Comparison of the data derived from solutions for different combinations of vibrational degrees of freedom shows that taking the inter-mode anharmonic interactions into account has different effects on the transition frequencies and intensities. Particular attention has been given to elucidation of the influence of anharmonic coupling of the H-F and C=O stretches with the low-frequency intermolecular modes on their frequencies and intensities and the strength of resonance between the fundamental H-F and the first overtone C=O transitions.

  1. 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

  2. Capacitance-based frequency adjustment of micro piezoelectric vibration generator.

    PubMed

    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.

  3. Low-frequency vibration control of floating slab tracks using dynamic vibration absorbers

    NASA Astrophysics Data System (ADS)

    Zhu, Shengyang; Yang, Jizhong; Yan, Hua; Zhang, Longqing; Cai, Chengbiao

    2015-09-01

    This study aims to effectively and robustly suppress the low-frequency vibrations of floating slab tracks (FSTs) using dynamic vibration absorbers (DVAs). First, the optimal locations where the DVAs are attached are determined by modal analysis with a finite element model of the FST. Further, by identifying the equivalent mass of the concerned modes, the optimal stiffness and damping coefficient of each DVA are obtained to minimise the resonant vibration amplitudes based on fixed-point theory. Finally, a three-dimensional coupled dynamic model of a metro vehicle and the FST with the DVAs is developed based on the nonlinear Hertzian contact theory and the modified Kalker linear creep theory. The track irregularities are included and generated by means of a time-frequency transformation technique. The effect of the DVAs on the vibration absorption of the FST subjected to the vehicle dynamic loads is evaluated with the help of the insertion loss in one-third octave frequency bands. The sensitivities of the mass ratio of DVAs and the damping ratio of steel-springs under the floating slab are discussed as well, which provided engineers with the DVA's adjustable room for vibration mitigation. The numerical results show that the proposed DVAs could effectively suppress low-frequency vibrations of the FST when tuned correctly and attached properly. The insertion loss due to the attachment of DVAs increases as the mass ratio increases, whereas it decreases with the increase in the damping ratio of steel-springs.

  4. Electrostatic frequency shifts in amide I vibrational spectra: Direct parameterization against experiment

    NASA Astrophysics Data System (ADS)

    Reppert, Mike; Tokmakoff, Andrei

    2013-04-01

    The interpretation of protein amide I infrared spectra has been greatly assisted by the observation that the vibrational frequency of a peptide unit reports on its local electrostatic environment. However, the interpretation of spectra remains largely qualitative due to a lack of direct quantitative connections between computational models and experimental data. Here, we present an empirical parameterization of an electrostatic amide I frequency map derived from the infrared absorption spectra of 28 dipeptides. The observed frequency shifts are analyzed in terms of the local electrostatic potential, field, and field gradient, evaluated at sites near the amide bond in molecular dynamics simulations. We find that the frequency shifts observed in experiment correlate very well with the electric field in the direction of the C=O bond evaluated at the position of the amide oxygen atom. A linear best-fit mapping between observed frequencies and electric field yield sample standard deviations of 2.8 and 3.7 cm-1 for the CHARMM27 and OPLS-AA force fields, respectively, and maximum deviations (within our data set) of 9 cm-1. These results are discussed in the broader context of amide I vibrational models and the effort to produce quantitative agreement between simulated and experimental absorption spectra.

  5. Electrostatic frequency shifts in amide I vibrational spectra: Direct parameterization against experiment

    PubMed Central

    Reppert, Mike; Tokmakoff, Andrei

    2013-01-01

    The interpretation of protein amide I infrared spectra has been greatly assisted by the observation that the vibrational frequency of a peptide unit reports on its local electrostatic environment. However, the interpretation of spectra remains largely qualitative due to a lack of direct quantitative connections between computational models and experimental data. Here, we present an empirical parameterization of an electrostatic amide I frequency map derived from the infrared absorption spectra of 28 dipeptides. The observed frequency shifts are analyzed in terms of the local electrostatic potential, field, and field gradient, evaluated at sites near the amide bond in molecular dynamics simulations. We find that the frequency shifts observed in experiment correlate very well with the electric field in the direction of the C=O bond evaluated at the position of the amide oxygen atom. A linear best-fit mapping between observed frequencies and electric field yield sample standard deviations of 2.8 and 3.7 cm−1 for the CHARMM27 and OPLS-AA force fields, respectively, and maximum deviations (within our data set) of 9 cm−1. These results are discussed in the broader context of amide I vibrational models and the effort to produce quantitative agreement between simulated and experimental absorption spectra. PMID:23574217

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

    PubMed Central

    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. PMID:28081187

  7. An innovative MRE absorber with double natural frequencies for wide frequency bandwidth vibration absorption

    NASA Astrophysics Data System (ADS)

    Sun, Shuaishuai; Yang, Jian; Li, Weihua; Deng, Huaxia; Du, Haiping; Alici, Gursel; Yan, Tianhong

    2016-05-01

    A new design of adaptive tuned vibration absorber was proposed in this study for vibration reduction. The innovation of the new absorber is the adoption of the eccentric mass on the top of the multilayered magnetorheological elastomer (MRE) structure so that this proposed absorber has two vibration modes: one in the torsional direction and the other in translational direction. This property enables the absorber to expand its effective bandwidth and to be more capable of reducing the vibrations especially dealing with those vibrations with multi-frequencies. The innovative MRE absorber was designed and tested on a horizontal vibration table. The test results illustrate that the MRE absorber realized double natural frequencies, both of which are controllable. Inertia’s influence on the dynamic behavior of the absorber is also investigated in order to guide the design of the innovative MRE absorber. Additionally, the experimentally obtained natural frequencies coincide with the theoretical data, which sufficiently verifies the feasibility of this new design. The last part in terms of the vibration absorption ability also proves that both of these two natural frequencies play a great role in absorbing vibration energy.

  8. Acoustic metamaterial structures based on multi-frequency vibration absorbers

    NASA Astrophysics Data System (ADS)

    Pai, P. Frank; Peng, Hao

    2014-03-01

    This paper presents a new metamaterial beam based on multi-frequency vibration absorbers for broadband vibration absorption. The proposed metamaterial beam consists of a uniform isotropic beam and small two-mass spring-mass- damper subsystems at many locations along the beam to act as multi-frequency vibration absorbers. For an infinite metamaterial beam, governing equations of a unit cell are derived using the extended Hamilton principle. The existence of two stopbands is demonstrated using a model based on averaging material properties over a cell length and a model based on finite element modeling and the Bloch-Floquet theory for periodic structures. For a finite metamaterial beam, because these two idealized models cannot be used for finite beams and/or elastic waves having short wavelengths, a finite-element method is used for detailed modeling and analysis. The concepts of negative effective mass and effective stiffness and how the spring-mass-damper subsystem creates two stopbands are explained in detail. Numerical simulations reveal that the actual working mechanism of the proposed metamaterial beam is based on the concept of conventional mechanical vibration absorbers. For an incoming wave with a frequency in one of the two stopbands, the absorbers are excited to vibrate in their optical modes to create shear forces to straighten the beam and stop the wave propagation. For an incoming wave with a frequency outside of but between the two stopbands, it can be efficiently damped out by the damper with the second mass of each absorber. Hence, the two stopbands are connected into a wide stopband. Numerical examples validate the concept and show that the structure's boundary conditions do not have significant influence on the absorption of high-frequency waves. However, for absorption of low-frequency waves, the structure's boundary conditions and resonance frequencies and the location and spatial distribution of absorbers need to be considered in design, and it

  9. 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.

  10. Collagen and component polypeptides: Low frequency and amide vibrations

    NASA Astrophysics Data System (ADS)

    Fontaine-Vive, F.; Merzel, F.; Johnson, M. R.; Kearley, G. J.

    2009-01-01

    Collagen is a fibrous protein, which exists widely in the human body. The biomechanical properties of collagen depend on its triple helix structure and the corresponding low frequency vibrations. We use first-principles, density functional theory methods and analytical force fields to investigate the molecular vibrations of a model collagen compound, the results being validated by comparison with published, inelastic neutron scattering data. The results from these atomistic simulations are used at higher frequency to study the Amide I and V vibrations and therefore the vibrational signature of secondary and tertiary structure formation. In addition to collagen, its component homopolymers, poly-glycine and poly-proline are also studied. The Amide V vibration of glycine is strongly modified in going from the single helix of poly-glycine II to the triple helix of collagen. The collagen models are hydrated and this work allows us to discuss the relative merits of density functional theory and force field methods when tackling complex, partially crystalline systems.

  11. Enhanced shock and vibration isolator for the attenuation of low-frequency vibration and high-frequency pyroshock loads

    NASA Astrophysics Data System (ADS)

    Han, Jae-Hung; Youn, Se-Hyun; Jeong, Ho-Kyung; Jang, Young-Soon

    2012-04-01

    Launch vehicles, satellites and aircrafts often experience harsh vibration and pyroshock loads during the flight including maneuvering and separation events, which may cause the malfunction of equipped electronic devices. Furthermore, this minor malfunction can generate catastrophic failure of the whole mission. To prevent malfunction of the electronic devices from severe shock and vibration loads, elastomeric isolators are commonly applied between the electronic device and the equipment bay structure in the aerospace fields. However, this rubber type elastomeric material is vulnerable to the low-frequency vibration load which involves large amount of displacement due to its low stiffness. Recently, the present authors proposed new type of isolator, called as pseudoelastic hybrid mesh isolator. This talk introduces the key features of this new pseudoelastic hybrid mesh isolator which shows better isolation performance throughout all frequency range than conventional isolators.

  12. Enhanced shock and vibration isolator for the attenuation of low-frequency vibration and high-frequency pyroshock loads

    NASA Astrophysics Data System (ADS)

    Han, Jae-Hung; Youn, Se-Hyun; Jeong, Ho-Kyung; Jang, Young-Soon

    2011-11-01

    Launch vehicles, satellites and aircrafts often experience harsh vibration and pyroshock loads during the flight including maneuvering and separation events, which may cause the malfunction of equipped electronic devices. Furthermore, this minor malfunction can generate catastrophic failure of the whole mission. To prevent malfunction of the electronic devices from severe shock and vibration loads, elastomeric isolators are commonly applied between the electronic device and the equipment bay structure in the aerospace fields. However, this rubber type elastomeric material is vulnerable to the low-frequency vibration load which involves large amount of displacement due to its low stiffness. Recently, the present authors proposed new type of isolator, called as pseudoelastic hybrid mesh isolator. This talk introduces the key features of this new pseudoelastic hybrid mesh isolator which shows better isolation performance throughout all frequency range than conventional isolators.

  13. Acoustic metamaterial panels based on multi frequency vibration absorbers

    NASA Astrophysics Data System (ADS)

    Shi, Chao; Sun, Hongwei; Hu, Xiaolei; Gu, Jinliang

    2016-04-01

    Presented here is a new metamaterial panel based on multi-frequency vibration absorbers for broadband vibration absorption. The proposed metamaterial panel consists of a uniform isotropic panel and small two-mass spring-mass-damper subsystem many locations along the panel to act as multi-frequency vibration absorbers. The existence of two stopbands is demonstrated using a model based on averaging material properties over a cell length and a model based on finite element modeling and the Bloch-Floquet theory for periodic structures. For a finite metamaterial panel, because these two idealized models can not be used for finite panels and/or elastic waves having short wavelengths, a finite-element method is used for detailed modeling and analysis. The concepts of negative effective stiffness is explained in detail. For an incoming wave with a frequency in one of the two stopbands, the absorbers are excited to vibrate in their optical modes to create shear forces to straighten the panel and stop the wave propagation. For an incoming wave with a frequency outside of but between the two stopbands, it can be efficiently damped out by the damper with these mass of each absorber. Hence, the two stopbands are connected in to a wide stopband. Numerical examples validate the concept and show that the structures boundary conditions do not have significant influence on the absorption of high-frequency waves. However, for absorption of low-frequency waves, the structures boundary conditions and resonance frequencies and the location and spatial distribution of absorbers need to be considered in design, and it is better to use heavier masses for absorbers.

  14. Mutual Co-Assignment of the Calculated Vibrational Frequencies in the Ground and Lowest Excited Electronic States

    NASA Astrophysics Data System (ADS)

    Panchenko, Yurii N.

    2013-06-01

    The shifts of the molecular vibrational frequencies when going from the ground electronic state to the lowest excited electronic states pose some problems for the mutual co-assignment of the calculated vibrational frequencies in the different excited states. The trans-{C_2 O_2 F_2} shift of the frequency of the symmetrical ν(C=O) stretching vibration between the S_0 and T_1 is 373 wn. The feasibility of mutual co-assignments of the vibrational frequencies in these electronic states has been demonstrated for trans-{C_2 O_2 F_2}. Matrices analogous to the Duschinsky matrix were used to juxtapose the a_g vibrational frequencies of this molecule calculated at the CASPT2/cc-pVTZ level in the ground S_0 and excited triplet T_1 and singlet S_1 electronic states. The analog of the Duschinsky matrix D was obtained for this molecule using the equation D = (L_{I})^{-1} L_{II} where L_{I} and L_{II} are the matrices of the vibrational modes (normalized atomic displacements) obtained by solving the vibrational problems for the S_0 and T_1 electronic states, respectively. Choosing the dominant elements in columns of the D matrix and permuting these columns to arrange these elements along the diagonal of the transformed matrix D^* makes it possible to establish the correct mutual co-assignments of the calculated a_g vibrational frequencies of the trans-{C_2 O_2 F_2} molecule in the S_0 and T_1 electronic states. The analogous procedure was performed for the trans-{C_2 O_2 F_2} molecule in the T_1 and S_1 excited electronic states. The recent reassignments of the νb{2} and νb{3} calculated vibrational frequencies in the trans-{C_2 O_2 F_2} molecule in the ground state were also obtained for the triplet T_1 and singlet S_1 excited electronic states. The approach set forth in this text makes it possible to juxtapose the calculated vibrational frequencies of the same molecule in the different electronic states and to refine the assignments of these frequencies. This is essential

  15. Low-frequency vibration environment for five Shuttle missions

    NASA Technical Reports Server (NTRS)

    Baugher, George R.; Martin, Gary L.; Delombard, Richard

    1993-01-01

    The Microgravity Science and Applications Division's (MSAD) program to record and analyze the Shuttle's vibration environment is reviewed. This program provides microgravity science investigators with time and frequency analyses of the acceleration environment during their experiments' operation. Information is also provided for future investigators on the expected Shuttle vibration environment. As background, the two major elements of the program are discussed, the Space Acceleration Measurement System (SAMS) and the Acceleration Characterization and Analysis Project (ACAP). A comparison of the acceleration measurements from five Shuttle missions is discussed.

  16. Use of chaotic and random vibrations to generate high frequency test inputs: Part 2, Chaotic vibrations

    SciTech Connect

    Paez, T.L.; Gregory, D.L.

    1990-01-01

    This paper and a companion paper show that the traditional limits on amplitude and frequency that can be generated in a laboratory test on a vibration exciter can be substantially extended. This is accomplished by attaching a device to the shaker that permits controlled metal to metal impacts that generate a high acceleration, high frequency environment on a test surface. A companion paper derives some of the mechanical relations for the system. This paper shows that a sinusoidal shaker input can be used to excite deterministic chaotic dynamics of the system yielding a random vibration environment on the test surface, or a random motion of the shaker can be used to generate a random vibration environment on the test surface. Numerical examples are presented to show the kind of environments that can be generated in this system. 9 refs., 9 figs.

  17. Low Frequency Vibration Energy Harvesting using Diamagnetically Stabilized Magnet Levitation

    NASA Astrophysics Data System (ADS)

    Palagummi, Sri Vikram

    Over the last decade, vibration-based energy harvesting has provided a technology push on the feasibility of self-powered portable small electronic devices and wireless sensor nodes. Vibration energy harvesters in general transduce energy by damping out the environmentally induced relative emotion through either a cantilever beam or an equivalent suspension mechanism with one of the transduction mechanisms, like, piezoelectric, electrostatic, electromagnetic or magnetostrictive. Two major challenges face the present harvesters in literature, one, they suffer from the unavoidable mechanical damping due to internal friction present in the systems, second, they cannot operate efficiently in the low frequency range (< 10 Hz), when most of the ambient vibrational energy is in this low frequency broadband range. Passive and friction free diamagnetically stabilized magnet levitation mechanisms which can work efficiently as a vibration energy harvester in the low frequency range are discussed in this work. First, a mono-stable vertical diamagnetic levitation (VDL) based vibration energy harvester (VEH) is discussed. The harvester consists of a lifting magnet (LM), a floating magnet (FM) and two diamagnetic plates (DPs). The LM balances out the weight of the FM and stability is brought about by the repulsive effect of the DPs, made of pyrolytic graphite. Two thick cylindrical coils, placed in grooves which are engraved in the DPs, are used to convert the mechanical energy into electrical energy. Experimental frequency response of the system is validated by the theoretical analysis which showed that the VEH works in a low frequency range but sufficient levitation gap was not achieved and the frequency response characteristic of the system was effectively linear. To overcome these challenges, the influence of the geometry of the FM, the LM, and the DP were parametrically studied to assess their effects on the levitation gap, size of the system and the natural frequency. For

  18. 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.

  19. 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

  20. 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.

  1. Multiple vibration displacements at multiple vibration frequencies stress impact on human femur computational analysis.

    PubMed

    Ezenwa, Bertram; Yeoh, Han Teik

    2011-01-01

    Whole-body vibration training using single-frequency methods has been reported to improve bone mineral density. However, the intensities can exceed safe levels and have drawn unfavorable comments from subjects. In a previous article, whole-body vibration training using multiple vibration displacements at multiple vibration frequencies (MVDMVF) was reported. This article presents the computational simulation evaluation of stress dispersion on a femur with and without the MVDMVF input. A model of bone femur was developed from a computed tomography image of the lower limb with Mimics software from Materialise (Plymouth, Michigan). We analyzed the mesh model in COMSOL Multiphysics (COMSOL, Inc; Burlington, Massachusetts) with and without MVDMVF input, with constraints and load applied to the femur model. We compared the results with published joint stresses during walking, jogging, and stair-climbing and descending and with standard vibration exposure limits. Results showed stress levels on the femur are significantly higher with MVDMVF input than without. The stress levels were within the published levels during walking and stair-climbing and descending but below the stress levels during jogging. Our computational results demonstrate that MVDMVF generates stress level equivalent to the level during walking and stair-climbing. This evidence suggests that MVDMVF is safe for prolonged use in subjects with osteoporosis who ambulate independently.

  2. 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

  3. Peroxyacetyl radical: Electronic excitation energies, fundamental vibrational frequencies, and symmetry breaking in the first excited state

    SciTech Connect

    Copan, Andreas V.; Wiens, Avery E.; Nowara, Ewa M.; Schaefer, Henry F.; Agarwal, Jay

    2015-02-07

    Peroxyacetyl radical [CH{sub 3}C(O)O{sub 2}] is among the most abundant peroxy radicals in the atmosphere and is involved in OH-radical recycling along with peroxyacetyl nitrate formation. Herein, the ground (X{sup ~}) and first (A{sup ~}) excited state surfaces of cis and trans peroxyacetyl radical are characterized using high-level ab initio methods. Geometries, anharmonic vibrational frequencies, and adiabatic excitation energies extrapolated to the complete basis-set limit are reported from computations with coupled-cluster theory. Excitation of the trans conformer is found to induce a symmetry-breaking conformational change due to second-order Jahn-Teller interactions with higher-lying excited states. Additional benchmark computations are provided to aid future theoretical work on peroxy radicals.

  4. Self-mixing vibration measurement using emission frequency sinusoidal modulation

    NASA Astrophysics Data System (ADS)

    Tao, Yufeng; Wang, Ming; Guo, Dongmei; Hao, Hui; Liu, Qiang

    2015-04-01

    In this paper, a simplified phase demodulation scheme is applied to recover vibration trail on a laser self-mixing interferometer for noncontact vibration measurement. The emission of semiconductor laser diode is modulated by injecting sinusoidal wave, and corresponding interference signal is a quasi-sinusoid wave. The vibration mathematical model for semiconductor laser diode is theoretically educed from basic self-mixing theory, the variation of target is converted into phase information. The simulation of demodulation algorithm and standard deviation are presented and the reconstructed waveform displays a desirable consistence with various moving trails. Following the principle, a minimum experimental system is established and position variation of the target mirror driven by voltage signal is translated into phase shifts, feedback is controlled at weak level during experiment, Fourier transform is implemented to analyze phase information. The comparisons of both amplitude and velocity with a Germany Doppler vibrometer are performed to testify vibration model, the error of proposed demodulation method is less than 30 nm and achieve a high accuracy in vibration frequency. The experimental results indicate the traditional phase technology can be applied on complex optical power signal after adaption providing a feasible application prospects in industrial and scientific situation with an inexpensive semiconductor laser.

  5. Time frequency analyses of vibrations of wind turbine towers

    NASA Astrophysics Data System (ADS)

    Chiang, Chih-Hung; Huang, Chi-Luen; Hsu, Keng-Tseng; Cheng, Chia-Chi; Yu, Chih-Peng; Lai, Jiunnren

    2015-04-01

    Transient vibrations of the tower supporting a horizontal-axis wind turbine were recorded using a microwave interferometer. Variations in dominant frequencies have been reported in the previous study. Signal analyses aiming to uncouple different frequency components were performed using reassigned spectrogram, a time-frequency representation based on time-corrected short time Fourier transform. Optimal resolutions in both time and frequency domains were first investigated using synthetic signals. The goal was to seek out the favorable combinations of window size and overlapping portions of adjacent windows for a data sequence at a given sampling rate. The dominant frequency found in reassigned spectrogram agrees with that obtained using Fourier spectrum of the same transient measurements of the wind turbine tower under investigation.

  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. Surface sum-frequency vibrational spectroscopy of nonpolar media

    SciTech Connect

    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.

  8. Vibrational frequencies for Be3 and Be4

    NASA Technical Reports Server (NTRS)

    Rendell, Alistair P.; Lee, Timothy J.; Taylor, Peter R.

    1990-01-01

    The harmonic frequencies of Be3 and Be4, evaluated by multireference configuration-interaction (MRCI) and singles and doubles coupled-cluster (CCSD) methods, are reported, as are IR intensities evaluated by using the double harmonic approximation. A comparison of the results shows that the CCSD method augmented with a correction for connected triple excitations, CCSD(T), can be a viable alternative to MRCI for determining the ground-state properties of small Be clusters (other than the dimer). Results of normal mode analyses indicate that the anharmonic vibrational frequencies of Be3 and Be4 are reasonably consistent at the CCSD, CCSD(T), or MRCI levels of treatment.

  9. Cross-Propagation Sum-Frequency Generation Vibrational Spectroscopy

    SciTech Connect

    Fu, Li; Chen, Shun-li; Gan, Wei; Wang, Hong-fei

    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 directly access the metal oxide and other lower frequency surface modes, with much broader selection of visible and IR transparent window materials.

  10. Microscale capillary wave turbulence excited by high frequency vibration.

    PubMed

    Blamey, Jeremy; Yeo, Leslie Y; Friend, James R

    2013-03-19

    Low frequency (O(10 Hz-10 kHz)) vibration excitation of capillary waves has been extensively studied for nearly two centuries. Such waves appear at the excitation frequency or at rational multiples of the excitation frequency through nonlinear coupling as a result of the finite displacement of the wave, most often at one-half the excitation frequency in so-called Faraday waves and twice this frequency in superharmonic waves. Less understood, however, are the dynamics of capillary waves driven by high-frequency vibration (>O(100 kHz)) and small interface length scales, an arrangement ideal for a broad variety of applications, from nebulizers for pulmonary drug delivery to complex nanoparticle synthesis. In the few studies conducted to date, a marked departure from the predictions of classical Faraday wave theory has been shown, with the appearance of broadband capillary wave generation from 100 Hz to the excitation frequency and beyond, without a clear explanation. We show that weak wave turbulence is the dominant mechanism in the behavior of the system, as evident from wave height frequency spectra that closely follow the Rayleigh-Jeans spectral response η ≈ ω(-17/12) as a consequence of a period-halving, weakly turbulent cascade that appears within a 1 mm water drop whether driven by thickness-mode or surface acoustic Rayleigh wave excitation. However, such a cascade is one-way, from low to high frequencies. The mechanism of exciting the cascade with high-frequency acoustic waves is an acoustic streaming-driven turbulent jet in the fluid bulk, driving the fundamental capillary wave resonance through the well-known coupling between bulk flow and surface waves. Unlike capillary waves, turbulent acoustic streaming can exhibit subharmonic cascades from high to low frequencies; here it appears from the excitation frequency all the way to the fundamental modes of the capillary wave at some four orders of magnitude in frequency less than the excitation frequency

  11. Human vibration perception from single- and dual-frequency components

    NASA Astrophysics Data System (ADS)

    Ljunggren, Fredrik; Wang, Junye; Ågren, Anders

    2007-02-01

    This paper covers three different studies with respect to human perception of vertical vibrations. Although the amplitudes and frequencies throughout the experiments are set to match those that might occur in lightweight floor constructions, the results can be seen as general. A motion simulator generates signals from 5 to 31.5 Hz and the test subjects receive the vibrations sitting on a wooden chair. In the first study, the absolute threshold values from sinusoidal signals are determined. The results agree reasonably well with those found from other similar studies. In study number two, threshold values are determined in the presence of an 8 Hz base component. The threshold values were generally found to be higher than those obtained in the first study, except in the case of 10 Hz which due to beating effect gave an even lower threshold level than when the signal was played alone. The third study is about annoyance from dual sinusoidal vibrations, always including a base signal of 8 Hz at fixed amplitude. In similarity with study two, test persons reported to be more annoyed as the second signal component gets close to the base frequency and, naturally, they also got more annoyed as the amplitude increased.

  12. Long-range vibration sensor based on correlation analysis of optical frequency-domain reflectometry signals.

    PubMed

    Ding, Zhenyang; Yao, X Steve; Liu, Tiegen; Du, Yang; Liu, Kun; Han, Qun; Meng, Zhuo; Chen, Hongxin

    2012-12-17

    We present a novel method to achieve a space-resolved long- range vibration detection system based on the correlation analysis of the optical frequency-domain reflectometry (OFDR) signals. By performing two separate measurements of the vibrated and non-vibrated states on a test fiber, the vibration frequency and position of a vibration event can be obtained by analyzing the cross-correlation between beat signals of the vibrated and non-vibrated states in a spatial domain, where the beat signals are generated from interferences between local Rayleigh backscattering signals of the test fiber and local light oscillator. Using the proposed technique, we constructed a standard single-mode fiber based vibration sensor that can have a dynamic range of 12 km and a measurable vibration frequency up to 2 kHz with a spatial resolution of 5 m. Moreover, preliminarily investigation results of two vibration events located at different positions along the test fiber are also reported.

  13. 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

  14. Frequency-dependence of psychophysical and physiological responses to hand-transmitted vibration.

    PubMed

    Griffin, Michael J

    2012-01-01

    This invited paper reviews experimental studies of the frequency-dependence of absolute thresholds for the perception of vibration, equivalent comfort contours, temporary changes in sensation caused by vibration, and reductions in finger blood flow caused by hand-transmitted vibration. Absolute thresholds depend on the contact conditions but for a typical hand grip the thresholds show greatest sensitivity to acceleration around 125 Hz. The frequency-dependence of discomfort caused by hand-transmitted vibration depends on vibration magnitude: similar to absolute thresholds at low magnitudes, but the discomfort at higher magnitudes is similar when the vibration velocity is similar (at frequencies between about 16 and 400 Hz). Hand-transmitted vibration induces temporary elevations in vibrotactile thresholds that reflect the sensory mechanisms excited by the vibration and are therefore highly dependent on the frequency of vibration. Hand-transmitted vibration reduces finger blood flow during and after exposure; when the vibration velocity is similar at all frequencies there is more vasoconstriction at frequencies greater than 63 Hz than at lower frequencies. A single frequency weighting cannot provide a good indication of how all effects of hand-transmitted vibration depend on vibration frequency. Furthermore, a single frequency weighting provides only an approximate indication of any single response, because many factors influence the frequency-dependence of responses to hand-transmitted vibration, including the magnitude of vibration, contact conditions, and individual differences. Although the frequency weighting in current standards extends from 8 to 1,000 Hz, frequencies greater than 400 Hz rarely increase the weighted value on tools and there is currently little psychophysical or physiological evidence of their effects.

  15. Vibrational sum frequency generation spectroscopy using inverted visible pulses.

    PubMed

    Weeraman, Champika; Mitchell, Steven A; Lausten, Rune; Johnston, Linda J; Stolow, Albert

    2010-05-24

    We present a broadband vibrational sum frequency generation (BB-VSFG) scheme using a novel ps visible pulse shape. We generate the fs IR pulse via standard procedures and simultaneously generate an 'inverted' time-asymmetric narrowband ps visible pulse via second harmonic generation in the pump depletion regime using a very long nonlinear crystal which has high group velocity mismatch (LiNbO3). The 'inverted' ps pulse shape minimally samples the instantaneous nonresonant response but maximally samples the resonant response, maintaining high spectral resolution. We experimentally demonstrate this scheme, presenting SFG spectra of canonical organic monolayer systems in the C-H stretch region (2800-3000 cm(-1)).

  16. High force vibration testing with wide frequency range

    SciTech Connect

    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.

  17. A Study on the Vibration Frequency of Blasting Excavation in Highly Stressed Rock Masses

    NASA Astrophysics Data System (ADS)

    Yang, Jianhua; Lu, Wenbo; Jiang, Qinghui; Yao, Chi; Jiang, Shuihua; Tian, Lin

    2016-07-01

    During blasting excavation in deep-buried tunnels and mines characterized by high in situ stress, the rock vibration is attributed not only to blast loading, but also to dynamic unloading caused by transient release of the in situ stress on excavation faces in the process of rock fragmentation by blasting. Understanding the vibration frequency characteristics under these two excitation sources is of important signification to determine appropriate vibration threshold limits for structure damage in deep-buried opening excavations. With a theoretical model developed for a deep-buried circular tunnel excavation by the millisecond delay blasting sequence, frequency characteristics and their influence factors are investigated and discussed for the vibrations induced by the blast loading, the dynamic unloading and the combined effects, respectively. The results show that the rising time of blast loading, the duration of dynamic unloading and the dimension of excavation boundaries are the main factors that affect the vibration frequency of blasting excavation in highly stressed rock masses. It is found that, the blast loading with a much shorter rising time accentuates higher vibration frequency than the dynamic unloading with a long duration, and it causes the blast loading vibration to be more readily attenuated as the propagation distance increases. Thus, the unloading vibration may become the main vibration component at far distances where its low-frequency vibration may exceed the vibration limits. The vibration induced by the combined effects has two distinctly dominant frequency bands corresponding to the two vibration excitation sources. The frequency analyses of the vibration records from two underground projects excavated by blasting are presented to demonstrate this finding. The findings of this study also clearly reveal that, reducing the dimension of excavation boundaries is one of the most effective means to prevent the vibrational damage to structures as it

  18. Vibrational resonances in biological systems at microwave frequencies.

    PubMed Central

    Adair, Robert K

    2002-01-01

    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. PMID:11867434

  19. Wideband, low-frequency springless vibration energy harvesters: part II

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    This paper concludes a two-part investigation of a novel architecture for vibration energy harvesting (VEH), the springless VEH. In this part, we study vertical springless electromagnetic VEHs where the direction of motion is aligned with the gravitational field. Experimental results show the existence of three topologies in the response of vertical springless VEHs; linear, single-impact, and double-impact. A model, encompassing all three topologies, was developed and validated by comparison to experimental results. We found that vertical springless VEHs demonstrate low frequency harvesting (<20 Hz), widebeand harvesting (bandwidths up to \\text{BW}=11.2 Hz), and an optimal output power of P  =  7.52 mW at a base acceleration of 0.6 g. While horizontal springless VEHs typically offer more output power, the single-impact regime of the vertical springless VEHs offers the simultaneous advantages of wider harvesting bandwidths at lower operating frequencies.

  20. Vibrational frequencies and structural determinations of 1,4-thioxane

    NASA Astrophysics Data System (ADS)

    Ellzy, Michael W.; Jensen, James O.; Hameka, Hendrik F.; Kay, Jack G.; Zeroka, Daniel

    2001-10-01

    We present a detailed analysis of the structure and infrared spectra of 1,4-thioxane. The vibrational frequencies of the 1,4-thioxane molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-31G* basis set. The structural transformation of the chemical agent bis (2-chloroethyl) sulfide (HD, mustard gas) and the related symmetry to a previously study compound (4) makes the symmetry of the 1,4-thioxane molecule an interesting candidate for study. The molecule exists normally in a C s configuration similar to the chair form of cyclohexane. High-energy forms of 1,4-thioxane with C 1 and C 2 symmetry also exist.

  1. Vibrational frequencies and structural determinations of di-vinyl sulfone

    NASA Astrophysics Data System (ADS)

    Ellzy, Michael W.; Jensen, James O.; Kay, Jack G.

    2003-03-01

    We present a detailed analysis of the structure and infrared spectra of di-vinyl sulfone. The vibrational frequencies of the di-vinyl sulfone molecule were analyzed using standard quantum chemical techniques. Frequencies were calculated at the MP2 and DFT levels of theory using the standard 6-311G* basis set. The structural transformation of the chemical agent bis(2-chloroehtyl) sulfide (HD, mustard gas) and the related symmetry to a previously study compounds [Spectrochim. Acta Part A 55 (1999) 121; Spectrochim. Acta Part A 57 (2001) 2417] makes the symmetry of the di-vinyl sulfone molecule an interesting candidate for study. The molecule exists normally in a C2 configuration. High-energy forms of di-vinyl sulfone with CS and C1 symmetries also exist.

  2. Molecular orbital predictions of the vibrational frequencies of some molecular ions

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

    The initial detections of IR vibration-rotation bands in polyatomic molecular ions by recent spectroscopic advances were guided by ab initio prediction of vibrational frequencies. The present calculations predict the vibrational frequencies of additional ions which are candidates for laboratory analysis. Neutral molecule vibrational frequencies were computed at three levels of theory and then compared with experimental data; the effect of scaling was also investigated, in order to determine how accurately vibrational frequencies could be predicted. For 92 percent of the frequencies examined, the relatively simple HF/6-31G theory's vibrational frequencies were within 100/cm of experimental values, with a mean absolute error of 49/cm. On this basis, the frequencies of 30 molecular ions (many possessing astrophysical significance) were computed.

  3. [Theory study on glycine linear oligopeptide vibrational spectrum frequency shift].

    PubMed

    Ye, Zhi-Peng; Li, Xin; Yang, Meng-Shi; Chen, Liang; Xu, Can; Chu, Xiu-Xiang

    2014-04-01

    By using the density functional theory, glycine linear oligopeptide of different lengths was geometrically optimized on the 6-31G (d) basis set level, their growth processes were simulated, and the average binding energy and vibration frequency were calculated with geometry. The results showed that the average binding energies tend to change in a regular pattern and stabilize with the number of residues increasing; With the oligopeptide chain bond length analysis it was found that the chain to the radial direction there is a opposite trend for chain and radial direction, which is anisotropic. It was found by the IR spectrum analysis that red shifts and blue shifts occur respectively when the same group of peptide bond vibrate, which is anisotropic; These phenomena originate from that quasi one-dimensional nanostructures lead to the anisotropy of the bond length; the induced effects, coupling effects and hydrogen bonding etc. between the same groups lead to the vibration frequency red shifts and blue shifts. The authors conclude that the growth of glycine linear oligopeptide is conducive to stability of the structure, and the authors infer that the oligopeptide has the tendency of self-assembled growth; Through the conformation and spectrum, the authors infer that there is a size effect in physical and chemical properties. The physical and chemical properties of peptide chain end group are extremely stable and unaffected by the impact of the oligopeptide chain length The results are significant to measuring the length and the number of residue of peptide, and to manufacturing the special features oligopeptide chain.

  4. 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.

  5. 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

  6. Fundamental Study on the Effect of High Frequency Vibration on Ride Comfort

    NASA Astrophysics Data System (ADS)

    Nakagawa, Chizuru; Shimamune, Ryohei; Watanabe, Ken; Suzuki, Erimitsu

    To develop a more suitable method of evaluating ride comfort of high speed trains, a fundamental study was conducted on sensitivity of passengers to various frequencies of vibration with respect to ride comfort. Experiments were performed on 55 subjects using an electrodynamic vibration system that can generate vibrations in the frequency range of 1 to 80 Hz in the vertical direction. Results of experiments indicated that the subjects tend to experience greater discomfort when exposed to high frequency vibrations than that presumed by the conventional Japanese ride comfort assessment method, the "Ride Comfort Level."

  7. 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

  8. Evaluation of influences of frequency and amplitude on image degradation caused by satellite vibrations

    NASA Astrophysics Data System (ADS)

    Nan, Yi-Bing; Tang, Yi; Zhang, Li-Jun; Zheng, Cheng; Wang, Jing

    2015-05-01

    Satellite vibrations during exposure will lead to pixel aliasing of remote sensors, resulting in the deterioration of image quality. In this paper, we expose the problem and discuss the characteristics of satellite vibrations, and then present a pixel mixing model. The idea of mean mixing ratio (MMR) is proposed. MMR computations for different frequencies are implemented. In the mixing model, a coefficient matrix is introduced to estimate each mixed pixel. Thus, the simulation of degraded image can be performed when the vibration attitudes are known. The computation of MMR takes into consideration the influences of various frequencies and amplitudes. Therefore, the roles of these parameters played in the degradation progress are identified. Computations show that under the same vibration amplitude, the influence of vibrations fluctuates with the variation of frequency. The fluctuation becomes smaller as the frequency rises. Two kinds of vibration imaging experiments are performed: different amplitudes with the same frequency and different frequencies with the same amplitude. Results are found to be in very good agreement with the theoretical results. MMR has a better description of image quality than modulation transfer function (MTF). The influence of vibrations is determined mainly by the amplitude rather than the frequency. The influence of vibrations on image quality becomes gradually stable with the increase of frequency. Project supported by the National Basic Research Program of China (Grant No. 2013CB329202) and the Basic Industrial Technology Project of China (Grant No. J312012B002).

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

    SciTech Connect

    Hanson-Heine, Magnus W. D.

    2015-10-28

    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 is 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.

  10. Investigating buried polymer interfaces using sum frequency generation vibrational spectroscopy

    PubMed Central

    Chen, Zhan

    2010-01-01

    This paper reviews recent progress in the studies of buried polymer interfaces using sum frequency generation (SFG) vibrational spectroscopy. Both buried solid/liquid and solid/solid interfaces involving polymeric materials are discussed. SFG studies of polymer/water interfaces show that different polymers exhibit varied surface restructuring behavior in water, indicating the importance of probing polymer/water interfaces in situ. SFG has also been applied to the investigation of interfaces between polymers and other liquids. It has been found that molecular interactions at such polymer/liquid interfaces dictate interfacial polymer structures. The molecular structures of silane molecules, which are widely used as adhesion promoters, have been investigated using SFG at buried polymer/silane and polymer/polymer interfaces, providing molecular-level understanding of polymer adhesion promotion. The molecular structures of polymer/solid interfaces have been examined using SFG with several different experimental geometries. These results have provided molecular-level information about polymer friction, adhesion, interfacial chemical reactions, interfacial electronic properties, and the structure of layer-by-layer deposited polymers. Such research has demonstrated that SFG is a powerful tool to probe buried interfaces involving polymeric materials, which are difficult to study by conventional surface sensitive analytical techniques. PMID:21113334

  11. Diborane, dialane, and digallane: Accurate geometries and vibrational frequencies

    SciTech Connect

    Magers, D.H.; Hood, R.B.; Leszczynski, J.

    1994-12-31

    Optimum equilibrium geometries, harmonic vibrational frequencies, and infrared intensities within the double harmonic approximation are computed for diborane, B{sub 2}H{sub 6}, dialane, Al{sub 2}H{sub 6}, and digallane, Ga{sub 2}H{sub 6}, at both the SCF level of theory and the second-order perturbation theory [E(2)] using three large basis sets: 6-311G(d,p), 6-311G(2d,2p), and 6-311G(2df,2p). In particular, the results obtained with the latter basis set make this present work the first study to include f-type polarization functions in a systematic investigation of the molecular structure and properties of all three molecules in the series. Because of the good agreement of the present theoretical results with experimental data and with previous theoretical studies which employed a higher treatment of electron correlation, this study serves to show that large basis sets can in part compensate for the lack of a more advanced treatment of electron correlation in these electron-deficient systems. In addition, this study establishes the level of basis set needed for future work on these systems including a thorough description of the total electronic density at a correlated level.

  12. Bioparticles assembled using low frequency vibration immune to evacuation drifts.

    PubMed

    Shao, Fenfen; Whitehill, James David; Ng, Tuck Wah

    2012-08-01

    The use of low frequency vibration on suspensions of glass beads in a droplet has been shown to develop a strong degree of patterning (to a ring) due to the manner with which the surface waves are modified. Functionalized glass beads that serve as bioparticles permit for sensitive readings when concentrated at specific locations. However, a time controlled exposure with analytes is desirable. The replacement of the liquid medium with analyte through extraction is needed to conserve time. Nevertheless, we show here that extraction with a porous media, which is simple and useable in the field, will strongly displace the patterned beads. The liquid removal was found to be dependent on two mechanisms that affect the shape of the droplet, one of contact hysteresis due to the outer edge pinning, and the other of liquid being drawn into the porous media. From this, we developed and demonstrated a modified well structure that prevented micro-bead displacement during evacuation. An added strong advantage with this approach lies with its ability to require only analytes to be dispensed at the location of aggregated particles, which minimizes analyte usage. This was analytically established here.

  13. Frequency-dependent Effects of Vibration on Physiological Systems: Experiments with Animals and other Human Surrogates

    PubMed Central

    KRAJNAK, Kristine; RILEY, Danny A.; WU, John; MCDOWELL, Thomas; WELCOME, Daniel E.; XU, Xueyan S.; DONG, Ren G.

    2015-01-01

    Occupational exposure to vibration through the use of power- and pneumatic hand-tools results in cold-induced vasospasms, finger blanching, and alterations in sensorineural function. Collectively, these symptoms are referred to as hand-arm vibration syndrome (HAVS). Currently the International Standards Organization (ISO) standard ISO 5349-1 contains a frequency-weighting curve to help workers and employers predict the risk of developing HAVS with exposure to vibration of different frequencies. However, recent epidemiological and experimental evidence suggests that this curve under-represents the risk of injuries to the hands and fingers induced by exposure to vibration at higher frequencies (>100 Hz). To improve the curve, better exposure-response data need to be collected. The goal of this review is to summarize the results of animal and computational modeling studies that have examined the frequency-dependent effects of vibration, and discuss where additional research would be beneficial to fill these research gaps. PMID:23060248

  14. A broadband frequency-tunable dynamic absorber for the vibration control of structures

    NASA Astrophysics Data System (ADS)

    Komatsuzaki, T.; Inoue, T.; Terashima, O.

    2016-09-01

    A passive-type dynamic vibration absorber (DVA) is basically a mass-spring system that suppresses the vibration of a structure at a particular frequency. Since the natural frequency of the DVA is usually tuned to a frequency of particular excitation, the DVA is especially effective when the excitation frequency is close to the natural frequency of the structure. Fixing the physical properties of the DVA limits the application to a narrowband, harmonically excited vibration problem. A frequency-tunable DVA that can modulate its stiffness provides adaptability to the vibration control device against non-stationary disturbances. In this paper, we suggest a broadband frequency-tunable DVA whose natural frequency can be extended by 300% to the nominal value using the magnetorheological elastomers (MREs). The frequency adjustability of the proposed absorber is first shown. The real-time vibration control performance of the frequency-tunable absorber for an acoustically excited plate having multiple resonant peaks is then evaluated. Investigations show that the vibration of the structure can be effectively reduced with an improved performance by the DVA in comparison to the conventional passive- type absorber.

  15. Active low-frequency vertical vibration isolation system for precision measurements

    NASA Astrophysics Data System (ADS)

    Wu, Kang; Li, Gang; Hu, Hua; Wang, Lijun

    2017-01-01

    Low-frequency vertical vibration isolation systems play important roles in precision measurements to reduce seismic and environmental vibration noise. Several types of active vibration isolation systems have been developed. However, few researches focus on how to optimize the test mass install position in order to improve the vibration transmissibility. An active low-frequency vertical vibration isolation system based on an earlier instrument, the Super Spring, is designed and implemented. The system, which is simple and compact, consists of two stages: a parallelogram-shaped linkage to ensure vertical motion, and a simple spring-mass system. The theoretical analysis of the vibration isolation system is presented, including terms erroneously ignored before. By carefully choosing the mechanical parameters according to the above analysis and using feedback control, the resonance frequency of the system is reduced from 2.3 to 0.03 Hz, a reduction by a factor of more than 75. The vibration isolation system is installed as an inertial reference in an absolute gravimeter, where it improved the scatter of the absolute gravity values by a factor of 5. The experimental results verifies the improved performance of the isolation system, making it particularly suitable for precision experiments. The improved vertical vibration isolation system can be used as a prototype for designing high-performance active vertical isolation systems. An improved theoretical model of this active vibration isolation system with beam-pivot configuration is proposed, providing fundamental guidelines for vibration isolator design and assembling.

  16. Determining the Posture and Vibration Frequency that Maximize Pelvic Floor Muscle Activity During Whole-Body Vibration

    PubMed Central

    Lee, Juhyun; Lee, Kyeongjin; Song, Changho

    2016-01-01

    Background The aim of this study was to investigate the electromyogram (EMG) response of pelvic floor muscle (PFM) to whole-body vibration (WBV) while using different body posture and vibration frequencies. Material/Methods Thirteen healthy adults (7 men, 6 women) voluntarily participated in this cross-sectional study in which EMG data from PFM were collected in a total of 12 trials for each subject (4 body postures, 3 vibration frequencies). Pelvic floor EMG activity was recorded using an anal probe. The rating of perceived exertion (RPE) was assessed with a modified Borg scale. Results We found that vibration frequency, body posture, and muscle stimulated had a significant effect on the EMG response. The PFM had high activation at 12 Hz and 26 Hz (p<0.05). PFM activation significantly increased with knee flexion (p<0.05). The RPE significantly increased with increased frequency (p<0.05). Conclusions The knee flexion angle of 40° at 12 Hz frequency can be readily promoted in improving muscle activation during WBV, and exercise would be performed effectively. Based on the results of the present investigation, sports trainers and physiotherapists may be able to optimize PFM training programs involving WBV. PMID:27787476

  17. 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

  18. A Proposed Theory on Biodynamic Frequency Weighting for Hand-Transmitted Vibration Exposure

    PubMed Central

    DONG, Ren G.; WELCOME, Daniel E.; MCDOWELL, Thomas W.; XU, Xueyan S.; KRAJNAK, Kristine; WU, John Z.

    2015-01-01

    The objective of this study is to propose a theory on the biodynamic frequency weighting for studying hand-transmitted vibration exposures and vibration-induced effects. We hypothesize that the development of a vibration effect is the result of two consecutive but synergistic processes: biodynamic responses to input vibration and biological responses to the biomechanical stimuli resulting from the biodynamic responses. Hence, we further hypothesize that the frequency-dependency (W) of the effect generally includes two components: a biodynamic frequency weighting (W1) and a biological frequency weighting (W2), or W=W1•W2. These hypotheses are consistent with the stress and strain analysis theory and methods widely used in structural dynamics and biomechanics. The factorization may make it easier to study the complex frequency-dependency using different approaches: the biodynamic frequency weighting depends on the passive physical response of the system to vibration, and it can thus be determined by examining the biodynamic response of the system using various engineering methods; on the other hand, the biological frequency weighting depends on the biological mechanisms of the effects, and it can be investigated by studying the psychophysical, physiological, and pathological responses. To help test these hypotheses, this study reviewed and further developed methods to derive the finger biodynamic frequency weighting. As a result, preliminary finger biodynamic frequency weightings are proposed. The implications of the proposed theory and the preliminary biodynamic frequency weightings are also discussed. PMID:23060254

  19. 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

  20. The low frequency 2D vibration sensor based on flat coil element

    SciTech Connect

    Djamal, Mitra; Sanjaya, Edi; Islahudin; Ramli

    2012-06-20

    Vibration like an earthquake is a phenomenon of physics. The characteristics of these vibrations can be used as an early warning system so as to reduce the loss or damage caused by earthquakes. In this paper, we introduced a new type of low frequency 2D vibration sensor based on flat coil element that we have developed. Its working principle is based on position change of a seismic mass that put in front of a flat coil element. The flat coil is a part of a LC oscillator; therefore, the change of seismic mass position will change its resonance frequency. The results of measurements of low frequency vibration sensor in the direction of the x axis and y axis gives the frequency range between 0.2 to 1.0 Hz.

  1. Co-Assignment of the Molecular Vibrational Frequencies in Different Electronic States

    NASA Astrophysics Data System (ADS)

    Panchenko, Yurii; Abramenkov, Alexander

    2016-06-01

    Ultrafast electron diffraction experimental data for the structural parameters of molecules in excited electronic states are comparatively uncommon, hence these parameters are largely unknown. However, because differences between the molecular geometries of excited and ground electronic states cause differences in their experimental vibrational spectra it is important to establish a correspondence between the molecular vibrational frequencies in the ground state and those of the excited state of interest. The correct co-assignment of the experimental vibrational frequencies between two different electronic states of a molecule may be determined by the analog of the Duschinsky matrix D. This matrix D is defined as D = (LI)-1LII where LI and LII are the matrices of the vibrational modes of the two states of the molecule under investigation. They are obtained by solving the vibrational problems in the I and II electronic states, respectively. Choosing the dominant elements in columns of the D matrix and permuting these columns to arrange these elements along the diagonal of the transformed matrix Dast makes it possible to establish the correct co-assignment of the calculated frequencies in the two electronic states. The rows of Dast are for the vibrations in the I electronic state, whereas the columns are for vibrations in the II electronic state. The results obtained may be tested by analogous calculations of Dast for isotopologues. The feasibility of co-assignments of the vibrational frequencies in the ground and T_1 and S_1 excited electronic states are demonstrated for trans-C_2O_2F_2. The analogs of the Duschinsky matrix Dast were used to juxtapose the vibrational frequencies of this molecule calculated at the CASPT2/cc-pVTZ level in the S_0, T_1 and S_1 states. F. Duschinsky, Acta Physicochim. URSS, 7(4), 551-566 (1937). Yu. N. Panchenko, Vibrational spectroscopy, 68, 236-240 (2013).

  2. Influence of whole body vibration platform frequency on neuromuscular performance of community-dwelling older adults.

    PubMed

    Furness, Trentham P; Maschette, Wayne E

    2009-08-01

    The purpose of this study was to progressively overload vibration platform frequency to describe sea-saw whole body vibration influence on neuromuscular performance of community-dwelling older adults. Seventy-three community-dwelling older adults (aged 72 +/- 8 years) were randomly assigned to 4 groups (zero, one, 2, and 3 whole body vibration sessions per week). Quantifiers of neuromuscular performance such as the 5-Chair Stands test, the Timed Up and Go (TUG) test, and the Tinetti test were recorded. Furthermore, Health-related quality of life was qualified with the SF-36 Health Survey. A 6-week whole body vibration intervention significantly improved the quantifiers of neuromuscular performance in a community-dwelling older adult sample. Whole body vibration was shown to significantly reduce time taken to complete the 5-Chair Stands test (p < 0.05) and the TUG test (p < 0.05). Tinetti test scores significantly improved (p < 0.05). as did all components of health-related quality of life (p < 0.05). Overall, progressively overloaded frequency elicited more beneficial improvement for the 3 whole body vibration sessions per week group. It was concluded that progressively overloaded frequency was effective in improving quantifiable measures of neuromuscular performance in the sample and that practitioners may confidently prescribe 3 whole body vibration sessions per week with more precise knowledge of the effects of whole body vibration on neuromuscular performance and health-related quality-of-life effects.

  3. 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.

  4. 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.

  5. Detection of two identical frequency vibrations by phase discrimination in polarization-OTDR

    NASA Astrophysics Data System (ADS)

    Wang, Feng; Pan, Yun; Zhang, MingJiang; Cao, Chunqi; Zhang, Xuping

    2017-04-01

    In this paper, a new detection method for two identical frequency vibrations along optic fiber is proposed, by discrimination of their phase relationship in polarization optical time-domain reflectometer (POTDR). A vibration on fiber would modulate its index and birefringence, then it can consequently change the state of polarization (SOP) of the scattering signal. However, multiple simultaneous vibrations at different positions would result in random fluctuating SOP of the scattering signal, which make them very difficult to be identified. In our proposed method, the phase of the vibration signal along the fiber is obtained by Fast Fourier Transform. Therefore, two vibration events with the same frequency could be distinguished effectively by using the pattern of the phase distribution. The principle of the method is analyzed in detail. Both simulation and experiment results are presented to demonstrate the validity and limitation of this method. It could be widely used for safety monitoring of long distance perimeters, electrical transmission line, and so on.

  6. Qualitative Behavior of the Low-Frequency Vibrational Dynamics of Microtubules and the Surrounding Water.

    PubMed

    Moix, Jeremy M; Parker, James E; Echchgadda, Ibtissam

    2017-04-13

    The dynamics of the low-frequency vibrational modes of microtubules play a key role in many theoretical models regarding their biological function. We analyze these dynamics through large scale, classical molecular dynamics simulations of a microtubule composed of 42 tubulin heterodimers to provide insights into the qualitative nature of the vibrational energy absorption and dissipation mechanisms. The computed microtubule absorption spectra and vibrational density of states in the terahertz regime are presented, along with an analysis of the vibrational dephasing rates of the tubulin monomer center of mass dynamics, which are shown to be overdamped. Additionally, the presence of the microtubule modifies the dynamical properties of the solvation shell structure within roughly 10 Å of the protein. These vibrational properties are similar to those seen in other globular proteins and indicate microtubules are unlikely candidates for any large scale collective vibrational processes in the terahertz regime such as Fröhlich condensates.

  7. Active vibration control using optimized modified acceleration feedback with Adaptive Line Enhancer for frequency tracking

    NASA Astrophysics Data System (ADS)

    Nima Mahmoodi, S.; Craft, Michael J.; Southward, Steve C.; Ahmadian, Mehdi

    2011-03-01

    Modified acceleration feedback (MAF) control, an active vibration control method that uses collocated piezoelectric actuators and accelerometer is developed and its gains optimized using an optimal controller. The control system consists of two main parts: (1) frequency adaptation that uses Adaptive Line Enhancer (ALE) and (2) an optimized controller. Frequency adaptation method tracks the frequency of vibrations using ALE. The obtained frequency is then fed to MAF compensators. This provides a unique feature for MAF, by extending its domain of capabilities from controlling a certain mode of vibrations to any excited mode. The optimized MAF controller can provide optimal sets of gains for a wide range of frequencies, based on the characteristics of the system. The experimental results show that the frequency tracking method works quite well and fast enough to be used in a real-time controller. ALE parameters are numerically and experimentally investigated and tuned for optimized frequency tracking. The results also indicate that the MAF can provide significant vibration reduction using the optimized controller. The control power varies for vibration suppression at different resonance frequencies; however, it is always optimized.

  8. Comparative analysis of high-frequency dynamic measurement experiment for vibration sensor and GPS receiver

    NASA Astrophysics Data System (ADS)

    Ding, Keliang; Song, Zichao; Zhou, Mingduan; Liu, Miao

    2015-12-01

    Sensor technology applied in dynamic measurement in recent years become the mainly focus subject of attention. In this paper, the high-frequency data collected by two kinds of sensors from vibration sensor and GPS receiver are comparatively analyzed. The integrated scheme of dynamic measurement is proposed based on the high-frequency data for vibration sensor and GPS receiver. The result of experiment is shown that the above sensors with the some same characteristics based on the advantages of the sensors applied in the scheme. Finally, the feasibility and effectiveness of the integrated scheme for the vibration sensor and GPS receiver is verified in the dynamic measurement experiment.

  9. High-precision absolute distance and vibration measurement with frequency scanned interferometry

    SciTech Connect

    Yang, H.-J.; Deibel, Jason; Nyberg, Sven; Riles, Keith

    2005-07-01

    We report high-precision absolute distance and vibration measurements performed with frequency scanned interferometry using a pair of single-mode optical fibers. Absolute distance was determined by counting the interference fringes produced while scanning the laser frequency. A high-finesse Fabry-Perot interferometer was used to determine frequency changes during scanning. Two multiple-distance-measurement analysis techniques were developed to improve distance precision and to extract the amplitude and frequency of vibrations. Under laboratory conditions, measurement precision of {approx}50 nm was achieved for absolute distances ranging from 0.1 to 0.7 m by use of the first multiple-distance-measurement technique. The second analysis technique has the capability to measure vibration frequencies ranging from 0.1 to 100 Hz with an amplitude as small as a few nanometers without a priori knowledge.

  10. High-precision absolute distance and vibration measurement with frequency scanned interferometry.

    PubMed

    Yang, Hai-Jun; Deibel, Jason; Nyberg, Sven; Riles, Keith

    2005-07-01

    We report high-precision absolute distance and vibration measurements performed with frequency scanned interferometry using a pair of single-mode optical fibers. Absolute distance was determined by counting the interference fringes produced while scanning the laser frequency. A high-finesse Fabry-Perot interferometer was used to determine frequency changes during scanning. Two multiple-distance-measurement analysis techniques were developed to improve distance precision and to extract the amplitude and frequency of vibrations. Under laboratory conditions, measurement precision of approximately 50 nm was achieved for absolute distances ranging from 0.1 to 0.7 m by use of the first multiple-distance-measurement technique. The second analysis technique has the capability to measure vibration frequencies ranging from 0.1 to 100 Hz with an amplitude as small as a few nanometers without a priori knowledge.

  11. Coarse-fine adaptive tuned vibration absorber with high frequency resolution

    NASA Astrophysics Data System (ADS)

    Wang, Xi; Yang, Bintang; You, Jiaxin; Gao, Zhe

    2016-11-01

    The speed fluctuation of satellite-rotary-mechanisms causes vibration of slightly different frequencies. The critical requirements of satellites need a vibration control device with high frequency resolution to suppress the vibration. This paper presents a coarse-fine adaptive tuned vibration absorber (ATVA) with high frequency resolution. The coarse-fine ATVA which simultaneously satisfies the requirements of high resolution and relatively wide effective bandwidth is capable of tracking the variable exciting frequency adaptively to suppress the vibration of the primary system. The coarse-fine ATVA is divided into a coarse tuning segment and a fine tuning segment. The coarse tuning segment is used to tune the required natural frequency in a relatively wide effective bandwidth and the fine tuning segment can achieve precise tune in a tiny-scale bandwidth. The mathematical model of the coarse tuning and the fine tuning is proposed to design the parameters of the coarse-fine ATVA. The experimental test results indicate the coarse tuning bandwidth of the coarse-fine ATVA is 8.7 Hz to 29 Hz and the minimum resolution of the fine tuning is 0.05 Hz. Moreover, a significant vibration attenuation of 15dB is verified in the effective bandwidth.

  12. 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.

  13. 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.

  14. The influence of vibration type, frequency, body position and additional load on the neuromuscular activity during whole body vibration.

    PubMed

    Ritzmann, Ramona; Gollhofer, Albert; Kramer, Andreas

    2013-01-01

    This study aimed to assess the influence of different whole body vibration (WBV) determinants on the electromyographic (EMG) activity during WBV in order to identify those training conditions that cause highest neuromuscular responses and therefore provide optimal training conditions. In a randomized cross-over study, the EMG activity of six leg muscles was analyzed in 18 subjects with respect to the following determinants: (1) vibration type (side-alternating vibration (SV) vs. synchronous vibration (SyV), (2) frequency (5-10-15-20-25-30 Hz), (3) knee flexion angle (10°-30°-60°), (4) stance condition (forefoot vs. normal stance) and (5) load variation (no extra load vs. additional load equal to one-third of the body weight). The results are: (1) neuromuscular activity during SV was enhanced compared to SyV (P < 0.05); (2) a progressive increase in frequency caused a progressive increase in EMG activity (P < 0.05); (3) the EMG activity was highest for the knee extensors when the knee joint was 60° flexed (P < 0.05); (4) for the plantar flexors in the forefoot stance condition (P < 0.05); and (5) additional load caused an increase in neuromuscular activation (P < 0.05). In conclusion, large variations of the EMG activation could be observed across conditions. However, with an appropriate adjustment of specific WBV determinants, high EMG activations and therefore high activation intensities could be achieved in the selected muscles. The combination of high vibration frequencies with additional load on an SV platform led to highest EMG activities. Regarding the body position, a knee flexion of 60° and forefoot stance appear to be beneficial for the knee extensors and the plantar flexors, respectively.

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

    PubMed

    Mildren, Robyn Lynne; Peters, Ryan M; Hill, Aimee J; Blouin, Jean-Sebastien; Carpenter, Mark Gregory; Inglis, J Timothy

    2017-02-16

    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 proprioceptive 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 two-minutes 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 were 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 a) accurate reflex estimates could be obtained with <60 s of low-level (RMS=10 m/s(2)) vibration, b) responses did not habituate over two-minutes of exposure, and importantly c) noisy vibration had a minimal influence on standing balance. Our findings suggest noisy tendon vibration is an effective novel approach to characterize proprioceptive reflexes.

  16. 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

  17. 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.

  18. Measurement of small mechanical vibrations of brain tissue exposed to extremely-low-frequency electric fields.

    PubMed

    Spiegel, R J; Ali, J S; Peoples, J F; Joines, W T

    1986-01-01

    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 exposure cell is a section of X-band waveguide that was modified by the addition of a center conductor to form a small TEM cell within the waveguide structure. The ELF signal is applied to the center conductor of the TEM cell. The applied ELF electric field generates an electrostrictive force on the surface of the brain tissue. This force causes the tissue to vibrate at a frequency equal to twice the frequency of the applied sinusoidal signal. An X-band signal is fed through the waveguide, scattered by the vibrating sample, and detected by a phase-sensitive receiver. Using a time-averaging spectrum analyzer, a vibration sensitivity of approximately 0.2 nmp-p can be achieved. The amplitude of the brain tissue vibrational response is constant for vibrational frequencies below 50 Hz; between 50 and 200 Hz resonant phenomena were observed; and above 200 Hz the amplitude fall-off is rapid.

  19. 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

  20. 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.

  1. Development and application of a low-frequency FBG vibration sensor

    NASA Astrophysics Data System (ADS)

    Nan, Qiu-ming

    2010-10-01

    Dynamic monitoring is part of bridge structural health monitoring. Real-time and online monitoring for bridge's dynamic performance is an important technology means for model updating, damage detection of structure and security evaluation of bridge. Nowadays dynamic monitoring system is generally installed on new long-span bridges. Vibration sensor is key part of the technology means. Vibration of a large-scale bridge belongs to low frequency one, but traditional electromagnetic vibration sensors are restricted for use in the field due to such defects as signal unable to long distance transmission, hard to measure ultra-low frequency vibration, so it is inevitable and imminent to develop a novel-type vibration sensor instead of them. Aiming at the above-mentioned problems, the author in the paper develops a low-frequency vibration sensor with double-cantilever beam structure, based on fiber Bragg grating (FBG) and matching filtering demodulation. Some experiments are done to study its sensing properties and the results indicate that it has good temperature compensation, its natural frequency is about 35Hz, measurement bandwidth from 0.1Hz to 20Hz, sensitivity is 1000mv/g or so, linearity degree is over 0.9992, repeatability is superior to 2.4%, acceleration measurement range is 1g, and cross anti-interference is 5.6%. Such sensors have been successfully used on Wuhan Tianxingzhou Yangtze River Bridge(WTYRB). The most transmission distance of measurement signal is 10km or so and the lowest measurement frequency is 0.24 Hz. The application results show it can detect accurately dynamic properties of vital areas of the bridge and can meet the demands for dynamic measurement. To sum up, the sensor developed in the paper can overcome the shortcomings of electromagnetic sensors and has very good sensing properties, so it is very suitable to be used for low-frequency vibration measurement.

  2. 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.

  3. 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

  4. 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.

  5. Analysis of damped tissue vibrations in time-frequency space: a wavelet-based approach.

    PubMed

    Enders, Hendrik; von Tscharner, Vinzenz; Nigg, Benno M

    2012-11-15

    There is evidence that vibrations of soft tissue compartments are not appropriately described by a single sinusoidal oscillation for certain types of locomotion such as running or sprinting. This paper discusses a new method to quantify damping of superimposed oscillations using a wavelet-based time-frequency approach. This wavelet-based method was applied to experimental data in order to analyze the decay of the overall power of vibration signals over time. Eight healthy subjects performed sprinting trials on a 30 m runway on a hard surface and a soft surface. Soft tissue vibrations were quantified from the tissue overlaying the muscle belly of the medial gastrocnemius muscle. The new methodology determines damping coefficients with an average error of 2.2% based on a wavelet scaling factor of 0.7. This was sufficient to detect differences in soft tissue compartment damping between the hard and soft surface. On average, the hard surface elicited a 7.02 s(-1) lower damping coefficient than the soft surface (p<0.05). A power spectral analysis of the muscular vibrations occurring during sprinting confirmed that vibrations during dynamic movements cannot be represented by a single sinusoidal function. Compared to the traditional sinusoidal approach, this newly developed method can quantify vibration damping for systems with multiple vibration modes that interfere with one another. This new time-frequency analysis may be more appropriate when an acceleration trace does not follow a sinusoidal function, as is the case with multiple forms of human locomotion.

  6. Modeling, design and analysis of low frequency platform for attenuating micro-vibration in spacecraft

    NASA Astrophysics Data System (ADS)

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

    2010-08-01

    One of the most important factors that affect the pointing of precision payloads and devices in space platforms is the vibration generated due to static and dynamic unbalanced forces of rotary equipments placed in the neighborhood of payload. Generally, such disturbances are of low amplitude, less than 1 kHz, and are termed as 'micro-vibrations'. Due to low damping in the space structure, these vibrations have long decay time and they degrade the performance of payload. This paper addresses the design, modeling and analysis of a low frequency space frame platform for passive and active attenuation of micro-vibrations. This flexible platform has been designed to act as a mount for devices like reaction wheels, and consists of four folded continuous beams arranged in three dimensions. Frequency and response analysis have been carried out by varying the number of folds, and thickness of vertical beam. Results show that lower frequencies can be achieved by increasing the number of folds and by decreasing the thickness of the blade. In addition, active vibration control is studied by incorporating piezoelectric actuators and sensors in the dynamic model. It is shown using simulation that a control strategy using optimal control is effective for vibration suppression under a wide variety of loading conditions.

  7. Painting biological low-frequency vibrational modes from small peptides to proteins.

    PubMed

    Perticaroli, S; Russo, D; Paolantoni, M; Gonzalez, M A; Sassi, P; Nickels, J D; Ehlers, G; Comez, L; Pellegrini, E; Fioretto, D; Morresi, A

    2015-05-07

    Protein low-frequency vibrational modes are an important portion of a proteins' dynamical repertoire. Yet, it is notoriously difficult to isolate specific vibrational features in the spectra of proteins. Given an appropriately chosen model peptide, and using different experimental conditions, we can simplify the system and gain useful insights into the protein vibrational properties. Combining neutron scattering, depolarized light scattering, and molecular dynamics simulations, we analyse the low frequency vibrations of biological molecules, comparing the results from a small globular protein, lysozyme, and an amphiphilic peptide, NALMA, both in solution and in powder states. Lysozyme and NALMA present similar spectral features in the frequency range between 1 and 10 THz. With the aid of MD simulations, we assign the spectral features to methyl groups' librations (1-5 THz) and hindered torsions (5-10 THz) in NALMA. Our data also show that, while proteins display boson peak vibrations in both powder and solution forms, NALMA exhibits boson peak vibrations in powder form only. This provides insight into the nature of this feature, suggesting a connection of BP collective motions to a characteristic length scale of heterogeneities present in the system. These results provide context for the use of model peptide systems to study protein dynamics; demonstrating both their utility, and the great care that has to be used in extrapolating results observed in powder to solutions.

  8. 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.

  9. A magnetic-spring-based, low-frequency-vibration energy harvester comprising a dual Halbach array

    NASA Astrophysics Data System (ADS)

    Salauddin, M.; Halim, M. A.; Park, J. Y.

    2016-09-01

    Energy harvesting that uses low-frequency vibrations is attractive due to the availability of such vibrations throughout the ambient environment. Significant power generation at low-frequency vibrations, however, is challenging because the power flow decreases as the frequency decreases; moreover, designing a spring-mass system that is suitable for low-frequency-vibration energy harvesting is difficult. In this work, our proposed device overcomes both of these challenges by using a dual Halbach array and magnetic springs. Each Halbach array concentrates the magnetic-flux lines on one side of the array while suppressing the flux lines on the other side; therefore, a dual Halbach array allows for an interaction between the concentrated magnetic-flux lines and the same coil so that the maximum flux linkage occurs. During the experiment, vibration was applied in a horizontal direction to reduce the gravity effect on the Halbach-array structure. To achieve an increased power generation at low-amplitude and low-frequency vibrations, the magnetic structure of the dual Halbach array and the magnetic springs were optimized in terms of the operating frequency and the power density; subsequently, a prototype was fabricated and tested. The prototype device offers a normalized power density of 133.45 μW cm-3 g-2 that is much higher than those of recently reported electromagnetic energy harvesters; furthermore, it is capable of delivering a maximum average power of 1093 μW to a 44 Ω optimum load, at an 11 Hz resonant frequency and under a 0.5 g acceleration.

  10. Measurement of small mechanical vibrations of brain tissue exposed to extremely-low-frequency electric fields

    SciTech Connect

    Spiegel, R.J.; Ali, J.S.; Peoples, J.F.; Joines, W.T.

    1986-01-01

    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 exposure cell is a section of X-band waveguide that was modified by the addition of a center conductor to form a small TEM cell within the waveguide structure. The ELF signal is applied to the center conductor of the TEM cell. The applied ELF electric field generates an electrostrictive force on the surface of the brain tissue. This force causes the tissue to vibrate at a frequency equal to twice the frequency of the applied sinusoidal signal. An X-band signal is fed through the waveguide, scattered by the vibrating sample, and detected by a phrase-sensitive receiver. Using a time-averaging spectrum analyzer, a vibration sensitivity of approximately 0.2 nmpp can be achieved. The amplitude of the brain tissue vibrational frequencies below 50 Hz; between 50 and 200 Hz resonant phenomena were observed; and above 200 Hz the amplitude fall-off is rapid.

  11. Estimation of turbine blade natural frequencies from casing pressure and vibration measurements

    NASA Astrophysics Data System (ADS)

    Forbes, Gareth L.; Randall, Robert B.

    2013-04-01

    Non-contact measurement of gas turbine rotor blade vibration is a non-trivial task, with no method available which achieves this aim without some significant draw-backs . This paper presents a truly non-contact method to estimate rotor blade natural frequencies from casing vibration measurements at a single engine operating speed. An analytical model is derived to simulate the internal casing pressure in a turbine engine including the effects of blade vibration on this pressure signal. It is shown that the internal pressure inside a turbine contains measureable information about the rotor blade natural frequencies and in-turn the casing vibration response also contains this information. The results presented herein show the residual, pressure and casing vibration, spectrum can be used to determine the rotor blade natural frequencies with validation provided for the analytical model by experimental measurements on a simplified test rig. A simulated blade fault in one of the rotor blades is introduced with successful estimation of the simulated faulty blade natural frequency.

  12. 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

  13. A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion

    SciTech Connect

    Sun, Kyung Ho; Kim, Young-Cheol; Kim, Jae Eun

    2014-10-15

    While environmental vibrations are usually in the range of a few hundred Hertz, small-form-factor piezoelectric vibration energy harvesters will have higher resonant frequencies due to the structural size effect. To address this issue, we propose a resonant frequency-down conversion based on the theory of dynamic vibration absorber for the design of a small-form-factor piezoelectric vibration energy harvester. The proposed energy harvester consists of two frequency-tuned elastic components for lowering the first resonant frequency of an integrated system but is so configured that an energy harvesting beam component is inverted with respect to the other supporting beam component for a small form factor. Furthermore, in order to change the unwanted modal characteristic of small separation of resonant frequencies, as is the case with an inverted configuration, a proof mass on the supporting beam component is slightly shifted toward a second proof mass on the tip of the energy harvesting beam component. The proposed small-form-factor design capability was experimentally verified using a fabricated prototype with an occupation volume of 20 × 39 × 6.9 mm{sup 3}, which was designed for a target frequency of as low as 100 Hz.

  14. A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion

    NASA Astrophysics Data System (ADS)

    Sun, Kyung Ho; Kim, Young-Cheol; Kim, Jae Eun

    2014-10-01

    While environmental vibrations are usually in the range of a few hundred Hertz, small-form-factor piezoelectric vibration energy harvesters will have higher resonant frequencies due to the structural size effect. To address this issue, we propose a resonant frequency-down conversion based on the theory of dynamic vibration absorber for the design of a small-form-factor piezoelectric vibration energy harvester. The proposed energy harvester consists of two frequency-tuned elastic components for lowering the first resonant frequency of an integrated system but is so configured that an energy harvesting beam component is inverted with respect to the other supporting beam component for a small form factor. Furthermore, in order to change the unwanted modal characteristic of small separation of resonant frequencies, as is the case with an inverted configuration, a proof mass on the supporting beam component is slightly shifted toward a second proof mass on the tip of the energy harvesting beam component. The proposed small-form-factor design capability was experimentally verified using a fabricated prototype with an occupation volume of 20 × 39 × 6.9 mm3, which was designed for a target frequency of as low as 100 Hz.

  15. Stiffness Corrections for the Vibration Frequency of a Stretched Wire

    ERIC Educational Resources Information Center

    Hornung, H. G.; Durie, M. J.

    1977-01-01

    Discusses the need of introducing corrections due to wire stiffness arising from end constraints and wire axis distribution curvature in the measurement of ac electrical frequency by exciting transverse standing waves in a stretched steel wire. (SL)

  16. The Effect of the Weight Scheme on DFT Vibrational Frequencies

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles; Ricca, Alessandra

    1999-01-01

    All-electron B3LYP harmonic frequencies of Ge2H5 and Ge2H6 are computed for several choices of grid and using both the Becke and the Stratmann, Scuseria, and Frisch atomic partition functions (weight scheme). For large grids, the results are independent of the weighting scheme. The lowest frequency mode is much more stable with respect to the number of grid points when the Stratmann, Scuseria, and Frisch weights are used.

  17. Broadband electromagnetic power harvester from vibrations via frequency conversion by impact oscillations

    SciTech Connect

    Yuksek, N. S.; Almasri, M.; Feng, Z. C.

    2014-09-15

    In this paper, we propose an electromagnetic power harvester that uses a transformative multi-impact approach to achieve a wide bandwidth response from low frequency vibration sources through frequency-up conversion. The device consists of a pick-up coil, fixed at the free edge of a cantilever beam with high resonant frequency, and two cantilever beams with low excitation frequencies, each with an impact mass attached at its free edge. One of the two cantilevers is designed to resonate at 25 Hz, while the other resonates at 50 Hz within the range of ambient vibration frequency. When the device is subjected to a low frequency vibration, the two low-frequency cantilevers responded by vibrating at low frequencies, and thus their thick metallic masses made impacts with the high resonance frequency cantilever repeatedly at two locations. This has caused it along with the pick-up coil to oscillate, relative to the permanent magnet, with decaying amplitude at its resonance frequency, and results in a wide bandwidth response from 10 to 63 Hz at 2 g. A wide bandwidth response between 10–51 Hz and 10–58 Hz at acceleration values of 0.5 g and 2 g, respectively, were achieved by adjusting the impact cantilever frequencies closer to each other (25 Hz and 45 Hz). A maximum output power of 85 μW was achieved at 5 g at 30 Hz across a load resistor, 2.68 Ω.

  18. The geometry and frequency content of planetary gear single-mode vibration

    NASA Astrophysics Data System (ADS)

    Cooley, Christopher G.; Parker, Robert G.

    2013-10-01

    The geometry and frequency content of single-mode vibrations of spur planetary gears are investigated in the rotating carrier-fixed and the stationary reference frames. Planetary gears with equally spaced or diametrically opposed planets have exactly three mode types, called planet, rotational, and translational modes. The properties of these vibration modes lead to response with well-defined geometry. The frequency content of the motion differs between the rotating carrier-fixed and stationary bases. The results from this work assist the analysis of experimental planetary gear measurements.

  19. Geometric origin of excess low-frequency vibrational modes in weakly connected amorphous solids

    NASA Astrophysics Data System (ADS)

    Wyart, M.; Nagel, S. R.; Witten, T. A.

    2005-11-01

    Glasses have an excess number of low-frequency vibrational modes in comparison with most crystalline solids. We show that such a feature necessarily occurs in solids with low coordination. In particular, we analyze the density D(ω) of normal-mode frequencies ω and the nature of the low-frequency normal modes of a recently simulated system (O'Hern C., Silbert L. E., Liu A. J. and Nagel S. R., Phys. Rev. E, 68 (2003) 011306) comprised of weakly compressed spheres at zero temperature. We account for the observed a) convergence of D(ω) toward a non-zero constant as the frequency goes to zero, b) appearance of a low-frequency cutoff ω*, and c) power law increase of ω* with compression. We introduce a length scale l* which characterizes the vibrational modes that appear at ω*.

  20. Intramolecular vibrations in low-frequency normal modes of amino acids: L-alanine in the neat solid state.

    PubMed

    Zhang, Feng; Wang, Houng-Wei; Tominaga, Keisuke; Hayashi, Michitoshi

    2015-03-26

    This paper presents a theoretical analysis of the low-frequency phonons of L-alanine by using the solid-state density functional theory at the Γ point. We are particularly interested in the intramolecular vibrations accessing low-frequency phonons via harmonic coupling with intermolecular vibrations. A new mode-analysis method is introduced to quantify the vibrational characteristics of such intramolecular vibrations. We find that the torsional motions of COO(-) are involved in low-frequency phonons, although COO(-) is conventionally assumed to undergo localized torsion. We also find the broad distributions of intramolecular vibrations relevant to important functional groups of amino acids, e.g., the COO(-) and NH3(+) torsions, in the low-frequency phonons. The latter finding is illustrated by the concept of frequency distribution of vibrations. These findings may lead to immediate implications in other amino acid systems.

  1. 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.

  2. 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.

  3. Influence of low-frequency vibrations on blood flow improvement in human's limbs.

    PubMed

    Venslauskas, Mantas; Ostasevicius, Vytautas; Vilkinis, Paulius

    2017-01-01

    The fundamental cause of diabetic limbs' problem is insufficient blood supply. The aim of the current work was to experimentally and numerically investigate the blood flow velocity and pressure changes in the channel during vibrational excitation. The micro-scale Particle Image Velocimetry (μPIV) technique as well as corresponding numerical channel model in COMSOL Multiphysics software were used to investigate the influence of external vibrations. Momentum upstream flow were noted on the fluid that was influenced by vibrations. Furthermore, momentum flow velocity increased by more than 3 times in both experimentally and theoretically. These results show that suggested novel low-frequency vibrational excitation method should be investigated in clinical studies in case of improvement of blood circulation in human limbs.

  4. Vibrational Coupling at the Topmost Surface of Water Revealed by Heterodyne-Detected Sum Frequency Generation Spectroscopy.

    PubMed

    Suzuki, Yudai; Nojima, Yuki; Yamaguchi, Shoichi

    2017-03-15

    Unraveling vibrational coupling is the key to consistently interpret vibrational spectra of complex molecular systems. The vibrational spectrum of the water surface heavily suffers from vibrational coupling, which hinders complete understanding of the molecular structure and dynamics of the water surface. Here we apply heterodyne-detected sum frequency generation spectroscopy to the water surface and accomplish the assignment of a weak vibrational band located at the lower energy side of the free OH stretch. We find that this band is due to a combination mode of the hydrogen-bonded OH stretch and a low-frequency intermolecular vibration, and this combination band appears in the surface vibrational spectrum through anharmonic vibrational coupling that takes place exclusively at the topmost surface.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. Frequencies and Normal Modes of Vibration of Benz[a]anthracene Radical Ions

    NASA Astrophysics Data System (ADS)

    Kubba, Rehab M.; Al-ani, Raghida I.; Shanshal, Muthana

    2005-03-01

    MINDO/3-FORCES calculations were carried out for the radical ions of benz[a]anthracene. Both ions exhibit Cs symmetry with C-C bond alternation in all four rings. The obtained equilibrium geometry was applied for the calculation of all 3N - 6 vibration frequencies of each ion, and for the analysis of their normal coordinates. The so calculated frequencies of the radical cation were close to the experimental frequencies and those of the ab initio calculations. They fall in the ranges νCHstr. (3034 - 3087 cm-1), νCCstr. (1237 - 1609 cm-1), δCH (1142 - 1216 cm-1). Interesting correlations could be obtained for the frequencies of similar vibrations, e. g. νsymCHstr. >νasymCHstr. Exception is the frequency of vibration of CHα in ring A for the radical cation and the same bond in ring D for the radical anion. The vibration frequencies for the CH bonds depend on the σ -electron densities of the corresponding carbon atoms, i. e. νCH.+str. >νCHstr. >νCH.-str., where σ -ρĊ+ >σ -ρC >σ -ρĊ- . For the C-C stretching vibrations the relation ν(C-C)str. >ν(C-C).-str. >ν(C-C).+str. holds, with the exception of the Cβ -Cβ bond, for which the relation ν(C-C)str. >ν(C-C).+str. >ν(C-C).-str. is found. As for the in-plane and out of-plane deformations, the following general correlations δ (CH) >δ (CH).- >δ (CH).+ and γ (CC) >γ (CC).- >γ (CC).+.

  10. A New Ultra-low Frequency Passive Vertical Vibration Isolation System

    NASA Astrophysics Data System (ADS)

    Zhao, Peng-Fei; Huang, Yu-Ying; Tang, Meng-Xi

    2002-02-01

    A new ultra-low frequency passive vertical vibration isolation system is constructed by connecting the torsion spring isolator with a reverse pendulum. The theoretical analysis shows that the new system can achieve a much longer resonant period and have a smaller size than the current torsion spring isolators with the same geometric parameters.

  11. Dependence of local sound vibration on time frequency in a monolithic array transducer

    SciTech Connect

    Saiga, N.; Suzuki, T.

    1982-02-01

    An approach of increasing spatial resolution in a monolithic array transducer was carried out which utilized the thickness vibration at frequencies slightly lower than the resonance band. At those frequencies, the optical probing manifested that an usual spatial impulse response shifted into a more sharp and monotonously damping one with a peak amplitude comparable to those in resonance. An actual imaging as a receiving array demonstrated the improvement of spatial resolution and the high uniformity of image contrast.

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

    NASA Astrophysics Data System (ADS)

    Venanzoni, Andrea; De Ryck, Laurent; Cuenca, Jacques

    2016-06-01

    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 motion 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 content

  13. Low-frequency vibrational modes and infrared absorbance of red, blue and green opsin.

    PubMed

    Thirumuruganandham, Saravana Prakash; Urbassek, Herbert M

    2009-08-01

    Vibrational excitations of low-frequency collective modes are essential for functionally important conformational transitions in proteins. We carried out an analysis of the low-frequency modes in the G protein coupled receptors (GPCR) family of cone opsins based on both normal-mode analysis and molecular dynamics (MD) simulations. Power spectra obtained by MD can be compared directly with normal modes. In agreement with existing experimental evidence related to transmembrane proteins, cone opsins have functionally important transitions that correspond to approximately 950 modes and are found below 80 cm(-1). This is in contrast to bacteriorhodopsin and rhodopsin, where the important low-frequency transition modes are below 50 cm(-1). We find that the density of states (DOS) profile of blue opsin in a solvent (e.g. water) has increased populations in the very lowest frequency modes (<15 cm(-1)); this is indicative of the increased thermostability of blue opsin. From our work we found that, although light absorption behaves differently in blue, green and red opsins, their low-frequency vibrational motions are similar. The similarities and differences in the domain motions of blue, red and green opsins are discussed for several representative modes. In addition, the influence of the presence of a solvent is reported and compared with vacuum spectra. We thus demonstrate that terahertz spectroscopy of low-frequency modes might be relevant for identifying those vibrational degrees of freedom that correlate to known conformational changes in opsins.

  14. Active control of high-frequency vibration: Optimisation using the hybrid modelling method

    NASA Astrophysics Data System (ADS)

    Muthalif, Asan G. A.; Langley, Robin S.

    2012-06-01

    This work presents active control of high-frequency vibration using skyhook dampers. The choice of the damper gain and its optimal location is crucial for the effective implementation of active vibration control. In vibration control, certain sensor/actuator locations are preferable for reducing structural vibration while using minimum control effort. In order to perform optimisation on a general built-up structure to control vibration, it is necessary to have a good modelling technique to predict the performance of the controller. The present work exploits the hybrid modelling approach, which combines the finite element method (FEM) and statistical energy analysis (SEA) to provide efficient response predictions at medium to high frequencies. The hybrid method is implemented here for a general network of plates, coupled via springs, to allow study of a variety of generic control design problems. By combining the hybrid method with numerical optimisation using a genetic algorithm, optimal skyhook damper gains and locations are obtained. The optimal controller gain and location found from the hybrid method are compared with results from a deterministic modelling method. Good agreement between the results is observed, whereas results from the hybrid method are found in a significantly reduced amount of time.

  15. Harvesting Ambient Vibration Energy over a Wide Frequency Range for Self-Powered Electronics.

    PubMed

    Wang, Xiaofeng; Niu, Simiao; Yi, Fang; Yin, Yajiang; Hao, Chenglong; Dai, Keren; Zhang, Yue; You, Zheng; Wang, Zhong Lin

    2017-02-28

    Vibration is one of the most common energy sources in ambient environment. Harvesting vibration energy is a promising route to sustainably drive small electronics. This work introduces an approach to scavenge vibrational energy over a wide frequency range as an exclusive power source for continuous operation of electronics. An elastic multiunit triboelectric nanogenerator (TENG) is rationally designed to efficiently harvest low-frequency vibration energy, which can provide a maximum instantaneous output power density of 102 W·m(-3) at as low as 7 Hz and maintain its stable current outputs from 5 to 25 Hz. A self-charging power unit (SCPU) combining the TENG and a 10 mF supercapacitor gives a continuous direct current (DC) power delivery of 1.14 mW at a power management efficiency of 45.6% at 20 Hz. The performance of the SCPU can be further enhanced by a specially designed power management circuit, with a continuous DC power of 2 mW and power management efficiency of 60% at 7 Hz. Electronics such as a thermometer, hygrometer, and speedometer can be sustainably powered solely by the harvested vibration energy from a machine or riding bicycle. This approach has potential applications in self-powered systems for environment monitoring, machine safety, and transportation.

  16. 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

  17. Vibrational Spectral Signatures of Crystalline Cellulose Using High Resolution Broadband Sum Frequency Generation Vibrational Spectroscopy (HR-BB-SFG-VS)

    SciTech Connect

    Zhang, Libing; Lu, Zhou; Velarde Ruiz Esparza, Luis A.; Fu, Li; Pu, Yunqiao; Ding, Shi-You; Ragauskas, Art J.; Wang, Hongfei; Yang, Bin

    2015-03-03

    Here we reported the first sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) study on both the C-H and O-H region spectra of crystalline cellulose. HR-BB-SFG-VS has about 10 times better resolution than the conventional scanning SFG-VS and is known to be able to measure the intrinsic spectral lineshape and to resolve much more spectral details. With HR-BB-SFG-VS, we found that in cellulose from different sources, including Avicel and cellulose crystals isolated from algae Valonia (Iα) and tunicates (Iβ), the spectral signatures in the OH regions were unique for different allomorphs, i.e. Iα and Iβ, while the spectral signatures in the C-H regions varied in all samples examined. Even though the origin of the different behaviors of the crystalline cellulose in the O-H and C-H vibrational frequency regions is yet to be correlated to the structure of cellulose, these results provided new spectroscopic methods and opportunities to classify and understand the basic crystalline structure, as well as variations, in polymorphism of the crystalline cellulose structure.

  18. Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

    SciTech Connect

    Zhang, Libing; Lu, Zhou; Velarde, Luis; Fu, Li; Pu, Yunqiao; Ding, Shi-You; Ragauskas, Arthur; Wang, Hong-Fei; Yang, Bin

    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 signatures 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.

  19. Temperature dependence of vibrational frequency fluctuation of N3- in D2O

    NASA Astrophysics Data System (ADS)

    Tayama, Jumpei; Ishihara, Akane; Banno, Motohiro; Ohta, Kaoru; Saito, Shinji; Tominaga, Keisuke

    2010-07-01

    We have studied the temperature dependence of the vibrational frequency fluctuation of the antisymmetric stretching mode of N3- in D2O by three-pulse infrared (IR) photon echo experiments. IR pump-probe measurements were also carried out to investigate the population relaxation and the orientational relaxation of the same band. It was found that the time-correlation function (TCF) of the frequency fluctuation of this mode is well described by a biexponential function with a quasistatic term. The faster decay component has a time constant of about 0.1 ps, and the slower component varies from 1.4 to 1.1 ps in the temperature range from 283 to 353 K. This result indicates that liquid dynamics related to the frequency fluctuation are not highly sensitive to temperature. We discuss the relationship between the temperature dependence of the vibrational frequency fluctuation and that of the molecular motion of the system to investigate the molecular origin of the frequency fluctuation of the solute. We compare the temperature dependence of the frequency fluctuation with that of other dynamics such as dielectric relaxation of water. In contrast to the Debye dielectric relaxation time of D2O, the two time constants of the TCF of the frequency fluctuation do not exhibit strong temperature dependence. We propose a simple theoretical model for the frequency fluctuation in solutions based on perturbation theory and the dipole-dipole interaction between the vibrational mode of the solute and the solvent molecules. This model suggests that the neighboring solvent molecules in the vicinity of the solute play an important role in the frequency fluctuation. We suggest that the picosecond component of the frequency fluctuation results from structural fluctuation of the hydrogen-bonding network in water.

  20. [Pulsed low-frequency electrotherapy of vibration disease associated with osteoarthrosis].

    PubMed

    Chudinova, O A; Fedorov, A A; Venediktov, D L; Samokhvalova, G N; Il'ina, M I; Budlianskaia, S V

    2010-01-01

    The study involving 185 patients with vibration disease and concomitant osteoarthrosis has demonstrated the positive influence of pulsed low-frequency currents in combination with hydrogen sulphide baths on the clinical course of the disease. This combined therapy produced good immediate and late post-treatment results. The data obtained suggest high efficiency of differential application of complex-modulated pulsed and fluctuating currents in patients with vibration disease. It is concluded that amplipulse therapy is the method of choice for the management of this pathology in the absence of apparatuses emitting pulsed currents in the running way regime.

  1. Closed-Form Solutions for Free Vibration Frequencies of Functionally Graded Euler-Bernoulli Beams

    NASA Astrophysics Data System (ADS)

    Chen, W. R.; Chang, H.

    2017-03-01

    The bending vibration of a functionally graded Euler-Bernoulli beam is investigated by the transformed-section method. The material properties of the functionally graded beam (FGB) are assumed to vary across its thickness according to a simple power law. Closed-form solutions for free vibration frequencies of FGBs with classical boundary conditions are derived. Some analytical results are compared with numerical results found in the published literature to verify the accuracy of the model presented, and a good agreement between them is observed.

  2. 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.

  3. Quantitative Sum-Frequency Generation Vibrational Spectroscopy of Molecular Surfaces and Interfaces: Lineshape, Polarization and Orientation

    SciTech Connect

    Wang, Hongfei; Velarde, Luis; Gan, Wei; Fu, Li

    2015-04-01

    Sum-frequency generation vibrational spectroscopy (SFG) can provide detailed information and understanding of molecular vibrational spectroscopy, orientational and conformational structure, and interactions of molecular surfaces and interfaces, through quantitative measurement and analysis. In this review, we present the current status and discuss the main developments on the measurement of intrinsic SFG spectral lineshape, formulations for polarization measurement and orientation analysis of the SFG-VS spectra. The main focus is to present a coherent formulation and discuss the main concepts or issues that can help to make SFG-VS a quantitative analytical and research tool in revealing the chemistry and physics of complex molecular surface and interface.

  4. Classical harmonic vibrations with micro amplitudes and low frequencies monitored by quantum entanglement

    NASA Astrophysics Data System (ADS)

    Huang, Yong-Yi

    2016-02-01

    We study the entanglement dynamics of the two two-level atoms coupled with a single-mode polarized cavity field after incorporating the decoupled atomic centers of mass classical harmonic vibrations with micro amplitudes and low frequencies. We discover a new quantum mechanical measurement effect for the entanglement dynamics. We propose a quantitative vibrant factor to modify the concurrence of the two atomic states. When the vibrant frequencies are very low, we obtain that: (1) the factor depends on the relative vibrant displacements and the initial phases rather than the absolute amplitudes, and reduces the concurrence to three orders of magnitude; (2) the concurrence increases with the increase of the initial phases; (3) the frequency of the harmonic vibration can be obtained by measuring the maximal value of the concurrence during a small measurement time. These results indicate that the extremely weak classical harmonic vibrations can be monitored by the entanglement of quantum states. The effect reported in the paper always works well as long as the internal degrees of freedom of the system (regardless of unitary evolution or non-unitary evolution with time) are decoupled with the external classical harmonic vibrations of atomic centers of mass.

  5. Two-dimensional resonance frequency tuning approach for vibration-based energy harvesting

    NASA Astrophysics Data System (ADS)

    Dong, Lin; Prasad, M. G.; Fisher, Frank T.

    2016-06-01

    Vibration-based energy harvesting seeks to convert ambient vibrations to electrical energy and is of interest for, among other applications, powering the individual nodes of wireless sensor networks. Generally it is desired to match the resonant frequencies of the device to the ambient vibration source to optimize the energy harvested. This paper presents a two-dimensionally (2D) tunable vibration-based energy harvesting device via the application of magnetic forces in two-dimensional space. These forces are accounted for in the model separately, with the transverse force contributing to the transverse stiffness of the system while the axial force contributes to a change in axial stiffness of the beam. Simulation results from a COMSOL magnetostatic 3D model agree well with the analytical model and are confirmed with a separate experimental study. Furthermore, analysis of the three possible magnetization orientations between the fixed and tuning magnets shows that the transverse parallel magnetization orientation is the most effective with regards to the proposed 2D tuning approach. In all cases the transverse stiffness term is in general significantly larger than the axial stiffness contribution, suggesting that from a tuning perspective it may be possible to use these stiffness contributions for coarse and fine frequency tuning, respectively. This 2D resonant frequency tuning approach extends earlier 1D approaches and may be particularly useful in applications where space constraints impact the available design space of the energy harvester.

  6. 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.

  7. Low-frequency band gap mechanism of torsional vibration of lightweight elastic metamaterial shafts

    NASA Astrophysics Data System (ADS)

    Li, Lixia; Cai, Anjiang

    2016-07-01

    In this paper, the low-frequency band gap mechanism of torsional vibration is investigated for a kind of light elastic metamaterial (EM) shafts architecture comprised of a radial double-period element periodically as locally resonant oscillators with low frequency property. The dispersion relations are calculated by a method combining the transfer matrix and a lumped-mass method. The theoretical results agree well with finite method simulations, independent of the density of the hard material ring. The effects of the material parameters on the band gaps are further explored numerically. Our results show that in contrast to the traditional EM shaft, the weight of our proposed EM shaft can be reduced by 27% in the same band gap range while the vibration attenuation is kept unchanged, which is very convenient to instruct the potential engineering applications. Finally, the band edge frequencies of the lower band gaps for this light EM shaft are expressed analytically using physical heuristic models.

  8. Use of chaotic and random vibrations to generate high frequency test inputs

    SciTech Connect

    Gregory, D. L.; Paez, T. L.

    1990-01-01

    This paper and a companion paper show the traditional limits on amplitude and frequency that can be generated in a laboratory test on a vibration exciter can be substantially extended. This is accomplished by attaching a device to the shaker that permits controlled metal to metal impacts that generate high frequency, high acceleration environment on a test surface. A companion paper (Reference 1) shows that a sinusoidal or random shaker input can be used to generate a random vibration environment on the test surface. This paper derives the three response components that occur on the test surface due to an impact on the bottom surface and the base driven response from the shaker input. These response components are used to generate impulse response functions and frequency response functions which are used in the companion paper to derive power spectral density functions for the overall response. 9 refs., 8 figs.

  9. Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.

    PubMed

    Laury, Marie L; Carlson, Matthew J; Wilson, Angela K

    2012-11-15

    Calculated harmonic vibrational frequencies systematically deviate from experimental vibrational frequencies. The observed deviation can be corrected by applying a scale factor. Scale factors for: (i) harmonic vibrational frequencies [categorized into low (<1000 cm(-1)) and high (>1000 cm(-1))], (ii) vibrational contributions to enthalpy and entropy, and (iii) zero-point vibrational energies (ZPVEs) have been determined for widely used density functionals in combination with polarization consistent basis sets (pc-n, n = 0,1,2,3,4). The density functionals include pure functionals (BP86, BPW91, BLYP, HCTH93, PBEPBE), hybrid functionals with Hartree-Fock exchange (B3LYP, B3P86, B3PW91, PBE1PBE, mPW1K, BH&HLYP), hybrid meta functionals with the kinetic energy density gradient (M05, M06, M05-2X, M06-2X), a double hybrid functional with Møller-Plesset correlation (B2GP-PLYP), and a dispersion corrected functional (B97-D). The experimental frequencies for calibration were from 41 organic molecules and the ZPVEs for comparison were from 24 small molecules (diatomics, triatomics). For this family of basis sets, the scale factors for each property are more dependent on the functional selection than on basis set level, and thus allow for a suggested scale factor for each density functional when employing polarization consistent basis sets (pc-n, n = 1,2,3,4). A separate scale factor is recommended when the un-polarized basis set, pc-0, is used in combination with the density functionals.

  10. Frequency domain active vibration control of a flexible plate based on neural networks

    NASA Astrophysics Data System (ADS)

    Liu, Jinxin; Chen, Xuefeng; He, Zhengjia

    2013-06-01

    A neural-network (NN)-based active control system was proposed to reduce the low frequency noise radiation of the simply supported flexible plate. Feedback control system was built, in which neural network controller (NNC) and neural network identifier (NNI) were applied. Multi-frequency control in frequency domain was achieved by simulation through the NN-based control systems. A pre-testing experiment of the control system on a real simply supported plate was conducted. The NN-based control algorithm was shown to perform effectively. These works lay a solid foundation for the active vibration control of mechanical structures.

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

    NASA Technical Reports Server (NTRS)

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

  12. Frontside-micromachined planar piezoresistive vibration sensor: Evaluating performance in the low frequency test range

    SciTech Connect

    Zhang, Lan; Lu, Jian Takagi, Hideki; Maeda, Ryutaro

    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 of 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.

  13. 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.

  14. 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.

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

    SciTech Connect

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

    2015-10-15

    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.

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

    PubMed

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

    2010-06-01

    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-beta, 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 <1 x g, where g=9.81m/s(2), 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 (0.3 x g) vibrations to osteocyte-like MLO-Y4 cells at various frequencies (30, 60, 90 Hz) for 1h. We found that osteocytes were sensitive to this vibration stimulus at the transcriptional level: COX-2 maximally increased by 344% at 90Hz, while RANKL decreased most significantly (-55%, p<0.01) at 60Hz. Conditioned medium collected from the vibrated MLO-Y4 cells attenuated the formation of large osteoclasts (> or =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 PGE(2) release was also significantly decreased (-61%, p<0.01). We conclude that osteocytes are able to sense LMHF vibration and respond by producing

  17. Electric-field effects on the OH vibrational frequency and infrared absorption intensity for water

    NASA Astrophysics Data System (ADS)

    Hermansson, Kersti

    1993-07-01

    The variations of the anharmonic OH frequency and the infrared absorption intensity with field strength have been calculated for the uncoupled OH stretching vibration of a water molecule in a static, homogeneous electric field using ab initio methods at the MP4 level with a nearly saturated basis set. The OH frequency is found to be virtually independent of the field components perpendicular to the vibrating OH bond. For the parallel component, the frequency vs field curve is close to quadratic, with a maximum for a slightly negative (directed from H to O) field strength. The external field perturbation, defined as Vext(E∥,rOH)=Vtot(E∥, rOH)-Vfree(rOH), is found to be closely linear in rOH, except when the field strength E∥ is both large and negative. The linear external force constant is almost perfectly accounted for by the sum of two terms, -E∥ṡdμ∥free/drOH and -1/2ṡE∥ṡ∂μ∥induced/∂rOH. These derivatives are quite insensitive to the choice of basis-set. The ∂μ∥induced/∂rOH derivative is approximately proportional to E∥, and gives rise to the arclike shape of the frequency vs field curve. The frequency maximum occurs where ∂μ∥tot/∂rOH≊0. It is the sign of dμ∥free/drOH which determines that the frequency maximum occurs at a negative field strength for water (but at a positive field strength for OH-, for example), i.e., that a frequency red-shift (blue-shift for OH-) occurs when the molecule is bound. The linear relationship between the infrared absorption intensity and frequency of the water OH vibration is derived.

  18. Statistics and Properties of Low-Frequency Vibrational Modes in Structural Glasses.

    PubMed

    Lerner, Edan; Düring, Gustavo; Bouchbinder, Eran

    2016-07-15

    Low-frequency vibrational modes play a central role in determining various basic properties of glasses, yet their statistical and mechanical properties are not fully understood. Using extensive numerical simulations of several model glasses in three dimensions, we show that in systems of linear size L sufficiently smaller than a crossover size L_{D}, the low-frequency tail of the density of states follows D(ω)∼ω^{4} up to the vicinity of the lowest Goldstone mode frequency. We find that the sample-to-sample statistics of the minimal vibrational frequency in systems of size Lfrequency modes are spatially quasilocalized and that their localization and associated quartic anharmonicity are largely frequency independent. The effect of preparation protocols on the low-frequency modes is elucidated, and a number of glassy length scales are briefly discussed.

  19. 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.

  20. Measurements of high frequency vibration using fiber Bragg grating sensors packaged on PZT plate

    NASA Astrophysics Data System (ADS)

    Fang, Qiaofeng; Chen, Wentao; Yin, Zhenyu; Liu, Yunqi

    2014-11-01

    We demonstrate the fiber Bragg grating (FBG) vibration sensors working at a frequency up to 900 kHz. The FBGs were surface-mounted on the piezoelectric (PZT) ceramic, which is used as the vibration sensor head. A nonlinear response was measured with a periodically strong response at the frequencies of 1 kHz, 5 kHz, 12 kHz, 40 kHz, 70 kHz and 400 kHz. Four kind of polymer were used to package the FBG on the PZT plate. The gratings have similar pattern of vibration response with different deviation on the output voltage. The FBGs packaged with the polymer 705B and EPO-TEK 353ND were found to have a better response at lower frequency, while the FBGs packaged with the polymer T120-023-C2 and TRA-BOND F112 have a better response at higher frequency. The sensors could be developed for the real-time monitoring of the large infrastructure.

  1. Time frequency characterization of hand-transmitted, impulsive vibrations using analytic wavelet transform

    NASA Astrophysics Data System (ADS)

    Kim, Jay; Welcome, Daniel E.; Dong, Ren G.; Joon Song, Won; Hayden, Charles

    2007-11-01

    Current guidelines to assess health risk of hand-arm vibration are based on the frequency-weighted rms acceleration level, therefore do not fully consider the effect of temporal variations of the spectral energy. Time averaging effect involved with the frequency analysis may severely underestimate the risk of impact tools. A time-frequency ( T- F) analysis is necessary to characterize a highly transient signal whose spectral characteristics change rapidly in time. The analytic wavelet transform (AWT) is an ideal T- F analysis tool as it possesses the advantages of both the Fourier and wavelet transforms. The AWT is applied to acceleration signals measured from six tools, five impact type tools and one relatively steady-type tool, to explore possible improvements of the current risk assessment method of hand-arm vibration exposure. Based on the unique capability of the AWT, several new concepts including frequency-weighted time history, cumulative injury function, and cumulative injury index are defined in this study. Possible applications of these new concepts to hand-arm vibration research are described. Based on the results from this study, needs for future research are discussed.

  2. 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

  3. Vibrational Spectra and Adsorption of Trisiloxane Superspreading Surfactant at Air/Water Interface Studied with Sum Frequency Generation Vibrational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Feng, Jun; Wu, Dan; Wen, Jia; Liu, Shi-lin; Wang, Hong-fei

    2008-08-01

    The C-H stretch vibrational spectra of the trisiloxane superspreading surfactant Silwet L-77 ((CH3)3Si-O-Si(CH3)(C3H6)(OCH2CH2)7-8OCH3)-O-Si(CH3)3) at the air/water interface are measured with the surface Sum Frequency Generation Vibrational Spectroscopy (SFG-VS). The spectra are dominated with the features from the -Si-CH3 groups around 2905 cm-1 (symmetric stretch or SS mode) and 2957 cm-1 (mostly the asymmetric stretch or AS mode), and with the weak but apparent contribution from the -O-CH2- groups around 2880 cm-1 (symmetric stretch or SS mode). Comparison of the polarization dependent SFG spectra below and above the critical aggregate or micelle concentration (CAC) indicates that the molecular orientation of the C-H related molecular groups remained unchanged at different surface densities of the Silwet L-77 surfactant. The SFG-VS adsorption isotherm suggested that there was no sign of Silwet L-77 bilayer structure formation at the air/water interface. The Gibbs adsorption free energy of the Silwet surfactant to the air/water interface is -42.2±0.8kcal/mol, indicating the unusually strong adsorption ability of the Silwet L-77 superspreading surfactant.

  4. 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

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

    SciTech Connect

    Costalonga, M.; Brunet, P.; Peerhossaini, H.

    2015-01-15

    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 phenomenon 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.

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

    SciTech Connect

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

    2016-01-15

    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.

  7. Frequency Response of the Sample Vibration Mode in Scanning Probe Acoustic Microscope

    NASA Astrophysics Data System (ADS)

    Zhao, Ya-Jun; Cheng, Qian; Qian, Meng-Lu

    2010-05-01

    Based on the interaction mechanism between tip and sample in the contact mode of a scanning probe acoustic microscope (SPAM), an active mass of the sample is introduced in the mass-spring model. The tip motion and frequency response of the sample vibration mode in the SPAM are calculated by the Lagrange equation with dissipation function. For the silicon tip and glass assemblage in the SPAM the frequency response is simulated and it is in agreement with the experimental result. The living myoblast cells on the glass slide are imaged at resonance frequencies of the SPAM system, which are 20kHz, 30kHz and 120kHz. It is shown that good contrast of SPAM images could be obtained when the system is operated at the resonance frequencies of the system in high and low-frequency regions.

  8. Development and Validation of Transferable Amide I Vibrational Frequency Maps for Peptides

    PubMed Central

    Wang, L.; Middleton, C. T.; Zanni, M. T.; Skinner, J. L.

    2012-01-01

    Infrared (IR) spectroscopy of the amide I band has been widely utilized for the analysis of peptides and proteins. Theoretical modeling of IR spectra of proteins requires an accurate and efficient description of the amide I frequencies. In this paper, amide I frequency maps for protein backbone and side chain groups are developed from experimental spectra and vibrational lifetimes of N-methylacetamide and acetamide in different solvents. The frequency maps, along with established nearest-neighbor frequency shift and coupling schemes, are then applied to a variety of peptides in aqueous solution and reproduce experimental spectra well. The frequency maps are designed to be transferable to different environments; therefore, they can be used for heterogeneous systems, such as membrane proteins. PMID:21405034

  9. An Accurate Quartic Force Field and Vibrational Frequencies for HNO and DNO

    NASA Technical Reports Server (NTRS)

    Dateo, Christopher E.; Lee, Timothy J.; Schwenke, David W.

    1994-01-01

    An accurate ab initio quartic force field for HNO has been determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T), in conjunction with the correlation consistent polarized valence triple zeta (cc-pVTZ) basis set. Improved harmonic frequencies were determined with the cc-pVQZ basis set. Fundamental vibrational frequencies were determined using a second-order perturbation theory analysis and also using variational calculations. The N-0 stretch and bending fundamentals are determined well from both vibrational analyses. The H-N stretch, however, is shown to have an unusually large anharmonic correction, and is not well determined using second-order perturbation theory. The H-N fundamental is well determined from the variational calculations, demonstrating the quality of the ab initio quartic force field. The zero-point energy of HNO that should be used in isodesmic reactions is also discussed.

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

    NASA Astrophysics Data System (ADS)

    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. 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.

  12. 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.

  13. Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets.

    PubMed

    Jacobsen, Ruth L; Johnson, Russell D; Irikura, Karl K; Kacker, Raghu N

    2013-02-12

    Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure methods is less well characterized. We compare the accuracy of harmonic and anharmonic predictions from Hartree-Fock, second-order perturbation, and density functional theories combined with 6-31G(d) and 6-31+G(d,p) basis sets. As expected, anharmonic frequencies are closer than harmonic frequencies to experimental fundamentals. However, common practice is to correct harmonic predictions using multiplicative scaling. The surprising conclusion is that scaled anharmonic calculations are no more accurate than scaled harmonic calculations for the basis sets we used. The data used are from the Computational Chemistry Comparison and Benchmark Database (CCCBDB), maintained by the National Institute of Standards and Technology, which includes more than 3939 independent vibrations for 358 molecules.

  14. On the linear elastic, isotropic modeling of poroelastic distributed vibration absorbers at low frequencies

    NASA Astrophysics Data System (ADS)

    Harne, R. L.

    2013-07-01

    Several past works have considered a passive vibration absorber device utilizing distributed mass and spring layers. The thickness of the poroelastic foam spring and the area density of the mass layer are modified to achieve a target natural frequency of the device while the foam itself provides adequate dissipation of energy as the mass dynamically compresses it at resonance. A model of the device earlier developed is briefly reviewed and validated by new experiments. The dependence of the absorber natural frequency and damping on the poroelastic spring thickness is observed in detail and is found to be consistent with past work on poroelastic material elastic characteristics outside of the linear dynamic regime. The results set a practical limit on the applicability of linearity assumptions in the present modeling of the distributed poroelastic vibration absorbers and thus determine a design parameter range for which the computationally efficient model is accurate.

  15. 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.

  16. Changes in postural sway frequency and complexity in altered sensory environments following whole body vibrations.

    PubMed

    Dickin, D Clark; McClain, Matthew A; Hubble, Ryan P; Doan, Jon B; Sessford, David

    2012-10-01

    Studies assessing whole body vibration (WBV) have produced largely positive effects, with some neutral, on postural control with frequencies between 25 and 40 Hz. However no conclusive evidence indicates that 25-40 Hz elicits the optimal beneficial effects. To address this issue, a larger range of vibration intensity (10-50 Hz at peak-to-peak amplitudes of 2 and 5mm) was employed while increasing the postural complexity (altered somatosensory and/or visual information) to assess acute effects of 4-min of WBV on postural control. Twelve healthy young adults underwent postural assessment at four time intervals (prior to, immediately following and 10 and 20 min post WBV). Findings revealed both postural sway frequency and sway complexity/regularity were affected by WBV. Baseline posture demonstrated increased sway frequency (p=.04) following WBV with no changes in sway complexity. When the support surface was altered, changes in both the frequency and complexity of sway were elicited (p=.027, .002, respectively). When both somatosensory and visual information were altered delayed improvements in postural control were elicited (p=.05 and .01, for frequency and complexity, respectively). Given the differential acute effects as a function of postural task complexity, future longitudinal studies could determine the overall training effect on sway frequency and complexity.

  17. Low-frequency vibration study of amino acids using terahertz spectroscopy and solid-state density functional theory

    NASA Astrophysics Data System (ADS)

    Zhang, Feng; Tominaga, Keisuke; Hayashi, Michitoshi; Wang, Houng-Wei

    2014-11-01

    Understanding the low-frequency normal modes of amino acids, the building blocks of proteins, is crucial to reveal the vibration-function relationship in the macromolecular system. Recent advances in terahertz spectroscopy (THz) and solid-state density functional theory (DFT) have ensured an accurate description of low-frequency modes of amino acids. New knowledge people have learnt so far is that the inter- and intra-molecular vibrations are strongly mixed with each other in the THz region through the vibrational coordinate mixing. Rich information is believed embedded in this phenomenon. We introduce a generalized mode-analysis method that allows for the accurate decomposition of a normal mode of interest into the three intermolecular translations, three principal librations and various intrinsic intramolecular vibrations. This mode-analysis method will be demonstrated in the crystalline C60 systems and then applied to shed light on the nature of low-frequency phonons of glycine, diglycine and triglycine. This method helps reveal new intramolecular vibrational modes on the first hand, and more importantly, illuminate a new phenomenon of the frequency distribution of intramolecular vibrations (FDIV). FDIV describes the possible broad distributions of important intramolecular vibrations in the low-frequency normal modes. The FDIV concept may indicate an additional mechanism for the intramolecular vibrations to become thermally active and participate in various biological functions.

  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. Effect of transient heating on vibration frequencies of some simple wing structures

    NASA Technical Reports Server (NTRS)

    Vosteen, Louis F; Mcwithey, Robert R; Thomson, Robert G

    1957-01-01

    Thermal stresses, which may result from transient heating, can cause changes in the effective stiffness of wing structures. Some effects of this change in stiffness were investigated experimentally by radiantly heating three types of simple wing structures: a uniform plate, a solid double-wedge section, and a circular-arc multiweb-wing section. Changes in stiffness were determined by measuring the changes in natural frequency of vibration during transient heating. Some comparisons are made between theoretical calculations and the measured data.

  20. Low-frequency vibration treatment of bone marrow stromal cells induces bone repair in vivo

    PubMed Central

    He, Shengwei; Zhao, Wenzhi; Zhang, Lu; Mi, Lidong; Du, Guangyu; Sun, Chuanxiu; Sun, Xuegang

    2017-01-01

    Objective(s): To study the effect of low-frequency vibration on bone marrow stromal cell differentiation and potential bone repair in vivo. Materials and Methods: Forty New Zealand rabbits were randomly divided into five groups with eight rabbits in each group. For each group, bone defects were generated in the left humerus of four rabbits, and in the right humerus of the other four rabbits. To test differentiation, bones were isolated and demineralized, supplemented with bone marrow stromal cells, and implanted into humerus bone defects. Varying frequencies of vibration (0, 12.5, 25, 50, and 100 Hz) were applied to each group for 30 min each day for four weeks. When the bone defects integrated, they were then removed for histological examination. mRNA transcript levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor κ-B ligan, and pre-collagen type 1 α were measured. Results: Humeri implanted with bone marrow stromal cells displayed elevated callus levels and wider, more prevalent, and denser trabeculae following treatment at 25 and 50 Hz. The mRNA levels of runt-related transcription factor 2, osteoprotegerin, receptor activator of nuclear factor κ-B ligand, and pre-collagen type 1 α were also markedly higher following 25 and 50 Hz treatment. Conclusion: Low frequency (25–50 Hz) vibration in vivo can promote bone marrow stromal cell differentiation and repair bone injury. PMID:28133520

  1. 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.

  2. Analysis of vibration and frequency transmission of high speed EMU with flexible model

    NASA Astrophysics Data System (ADS)

    Ren, Zun-Song; Yang, Guang; Wang, Shan-Shan; Sun, Shou-Guang

    2014-12-01

    When the operation speed of the high-speed train increases and the weight of the carbody becomes lighter, not only does the sensitivity of the wheel/rail contact get higher, but also the vibration frequency range of the vehicle system gets enlarged and more frequencies are transmitted from the wheelset to the carbody. It is important to investigate the vibration characteristics and the dynamic frequency transmission from the wheel/rail interface to the carbody of the high-speed electric multi-uint (EMU). An elastic highspeed vehicle dynamics model is established in which the carbody, bogieframes, and wheelsets are all dealt with as flexible body. A rigid high-speed vehicle dynamics model is set up to compare with the simulation results of the elastic model. In the rigid vehicle model, the carbody, bogieframes and wheelsets are treated as rigid component while the suspension and structure parameters are the same as used in the elastic model. The dynamic characteristic of the elastic high speed vehicle is investigated in time and frequency domains and the difference of the acceleration, frequency distribution and transmission of the two types of models are presented. The results show that the spectrumpower density of the vehicle decreases from the wheelset to the carbody and the acceleration transmission ratio is approximately from 1% to 10% for each suspension system. The frequency of the wheelset rotation is evident in the vibration of the flexible model and is transmitted from the wheelset to the bogieframe and to the carbody. The results of the flexible model are more reasonable than that of the rigid model. A field test data of the high speed train are presented to verify the simulation results. It shows that the simulation results are coincidentwith the field test data.

  3. Nonlinear Microstructured Material to Reduce Noise and Vibrations at Low Frequencies

    NASA Astrophysics Data System (ADS)

    Lavazec, Deborah; Cumunel, Gwendal; Duhamel, Denis; Soize, Christian; Batou, Anas

    2016-09-01

    At low frequencies, for which the wavelengths are wide, the acoustic waves and the mechanical vibrations cannot easily be reduced in the structures at macroscale by using dissipative materials, contrarily to the middle- and high-frequency ranges. The final objective of this work is to reduce the vibrations and the induced noise on a broad low-frequency band by using a microstructured material by inclusions that are randomly arranged in the material matrix. The dynamical regimes of the inclusions will be imposed in the nonlinear domain in order that the energy be effectively pumped over a broad frequency band around the resonance frequency, due to the nonlinearity. The first step of this work is to design and to analyze the efficiency of an inclusion, which is made up of a hollow frame including a point mass centered on a beam. This inclusion is designed in order to exhibit nonlinear geometric effects in the low-frequency band that is observed. For this first step, the objective is to develop the simplest mechanical model that has the capability to roughly predict the experimental results that are measured. The second step, which is not presented in the paper, will consist in developing a more sophisticated nonlinear dynamical model of the inclusion. In this paper, devoted to the first step, it is proved that the nonlinearity induces an attenuation on a broad frequency band around the resonance, contrarily to its linear behavior for which the attenuation is only active in a narrow frequency band around the resonance. We will present the design in terms of geometry, dimension and materials for the inclusion, the experimental manufacturing of this system realized with a 3D printing system, and the experimental measures that have been performed. We compare the prevision given by the stochastic computational model with the measurements. The results obtained exhibit the physical attenuation over a broad low-frequency band, which were expected.

  4. 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

  5. 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

  6. Vibration sensor data denoising using a time-frequency manifold for machinery fault diagnosis.

    PubMed

    He, Qingbo; Wang, Xiangxiang; Zhou, Qiang

    2013-12-27

    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.

  7. A Frequency-Independent Vibrational Energy Harvester using Symmetrically Charged Comb-Drive Electrodes with Heavily Doped Ion Electrets

    NASA Astrophysics Data System (ADS)

    Mitsuya, H.; Ashizawa, H.; Ishibashi, K.; Homma, H.; Ataka, M.; Hashiguchi, G.; Fujita, H.; Toshiyoshi, H.

    2016-11-01

    An energy harvester has been developed to efficiently earn energy from both cyclic and impulse vibrations by using a symmetric pair of comb-electrodes that are heavily doped with potassium-ions to form electrets. By equalizing the electromechanical forces on the opposing comb-drives, energy conversion efficiency is enhanced for both impulses and broad-frequency harmonic vibrations.

  8. Electrostatic MEMS vibration energy harvester for HVAC applications with impact-based frequency up-conversion

    NASA Astrophysics Data System (ADS)

    Oxaal, J.; Hella, M.; Borca-Tasciuc, D.-A.

    2016-12-01

    This paper reports on electrostatic MEMS vibration energy harvesters with gap-closing interdigitated electrodes, designed for and tested on HVAC air ducts. The harvesters were fabricated on SOI wafers with 200 µm device layer using a custom microfabrication process. Designs with aspects ratio (electrodes’ gap versus depth) of 10 and 20 were implemented, while the overall footprint was approximately 1 cm  ×  1 cm in both cases. In order to enhance the power output, a dual-level physical stopper system was designed to control the minimum gap between the electrodes, which is a key parameter in the conversion process. The dual-level stopper utilizes cantilever beams to absorb a portion of the impact energy as the electrodes approach the impact point, and a film of parylene with nanometer thickness deposited on the electrode sidewalls. The parylene layer defines the absolute minimum gap and provides electrical insulation. The fabricated devices were first tested on a vibration shaker to characterize the resonant behavior. Devices with aspect ratio 10 were found to exhibit frequency up-conversion, which enhances the amount of converted power. Devices with both aspect ratios were found to exhibits spring hardening due to impact with the stoppers and spring softening behavior at increasing voltage bias. The highest power measured on shaker table for sinusoidal vibrations was 3.13 µW (includes enhancement due to frequency up-conversion driven by impact) for aspect ratio 10, and 0.166 µW for aspect ratio 20. The corresponding dimensional figure-of-merit, defined as the power output normalized to vibration acceleration and frequency, squared voltage and device mass, was in the range of 10 · 10-8 m V-2 for both devices, about an order of magnitude higher than state-of-the-art. Testing was carried out on HVAC air duct vibrating with an RMS acceleration of 155 mg RMS, a primary frequency of 60 Hz and a PSD of 7.15 · 10-2 g2 Hz-1. The peak power measured was

  9. The vibrating reed frequency meter: digital investigation of an early cochlear model

    PubMed Central

    Wit, Hero P.

    2015-01-01

    The vibrating reed frequency meter, originally employed by Békésy and later by Wilson as a cochlear model, uses a set of tuned reeds to represent the cochlea’s graded bank of resonant elements and an elastic band threaded between them to provide nearest-neighbour coupling. Here the system, constructed of 21 reeds progressively tuned from 45 to 55 Hz, is simulated numerically as an elastically coupled bank of passive harmonic oscillators driven simultaneously by an external sinusoidal force. To uncover more detail, simulations were extended to 201 oscillators covering the range 1–2 kHz. Calculations mirror the results reported by Wilson and show expected characteristics such as traveling waves, phase plateaus, and a response with a broad peak at a forcing frequency just above the natural frequency. The system also displays additional fine-grain features that resemble those which have only recently been recognised in the cochlea. Thus, detailed analysis brings to light a secondary peak beyond the main peak, a set of closely spaced low-amplitude ripples, rapid rotation of phase as the driving frequency is swept, frequency plateaus, clustering, and waxing and waning of impulse responses. Further investigation shows that each reed’s vibrations are strongly localised, with small energy flow along the chain. The distinctive set of equally spaced ripples is an inherent feature which is found to be largely independent of boundary conditions. Although the vibrating reed model is functionally different to the standard transmission line, its cochlea-like properties make it an intriguing local oscillator model whose relevance to cochlear mechanics needs further investigation. PMID:26623180

  10. Vibration Powered RF-Transponder for Sensing Low Frequency Motion Events

    NASA Astrophysics Data System (ADS)

    Gupta, S. K.; Pinrod, V.; Nadig, S.; Davaji, B.; Lal, A.

    2016-11-01

    Vibration energy harvesting offers a pathway to developing battery-less sensing solutions to be deployed in wireless sensor network nodes. The integration of the energy harvesters require regulation by power conditioning and control circuitry that consume some of the energy generated, reducing the effective energy available for node function. By designing a unique 3D-printed plastic structure for low frequency sensitivity and mechanical switching, and a lateral PZT bimorph for capturing energy from environmental vibrations, we report a zero-power consumption RF-transponder capable of detecting and reporting motion events without a battery. We have successfully picked up wireless transmissions on an external receiver placed ∼25cm away from the transponder, shaken at 0.75 g and 20 Hz. We have additionally demonstrated the ability to harvest energy from 5 Hz vibrations up to just under 150 Hz. When placed on an oil-based electric generator, which vibrates when operating, the RF-transponder has successfully picked up the differing harmonics to identify the mode of operation as the economy or regular power setting.

  11. Chiral Vibrational Structures of Proteins at Interfaces Probed by Sum Frequency Generation Spectroscopy

    PubMed Central

    Fu, Li; Wang, Zhuguang; Yan, Elsa C.Y.

    2011-01-01

    We review the recent development of chiral sum frequency generation (SFG) spectroscopy and its applications to study chiral vibrational structures at interfaces. This review summarizes observations of chiral SFG signals from various molecular systems and describes the molecular origins of chiral SFG response. It focuses on the chiral vibrational structures of proteins and presents the chiral SFG spectra of proteins at interfaces in the C-H stretch, amide I, and N-H stretch regions. In particular, a combination of chiral amide I and N-H stretches of the peptide backbone provides highly characteristic vibrational signatures, unique to various secondary structures, which demonstrate the capacity of chiral SFG spectroscopy to distinguish protein secondary structures at interfaces. On the basis of these recent developments, we further discuss the advantages of chiral SFG spectroscopy and its potential application in various fields of science and technology. We conclude that chiral SFG spectroscopy can be a new approach to probe chiral vibrational structures of protein at interfaces, providing structural and dynamic information to study in situ and in real time protein structures and dynamics at interfaces. PMID:22272140

  12. Application of ground vibration frequency spectrum analysis as a tool for optimizing the blast design in large open pit mines

    SciTech Connect

    Rao, K.R.

    1994-12-31

    This paper explains the methodology for assessing the efficiency of rockmass fragmentation by explosive blasting, from ground vibration frequency spectrum analysis of the blast event. Explosives are used in the mining, quarrying and construction industries for fragmenting rockmass to a suitable size. When an explosive charge is detonated, in addition to fragmenting the rockmass, it will also generate ground vibration and air vibrations. Efficiency of a blast depend upon percentage of blast energy wasted in generating ground vibrations and air vibrations. This in turn will depend upon rockmass characteristics, amount of explosive energy used per delay and spatial distribution of explosive in the rockmass. Ground vibrations and air vibrations, arising out of explosive detonation in a rockmass, could be captured by micro-computer based engineering seismograph and sound level meter. Typical frequency range indicative of efficient rockmass fragmentation for a particular rockmass can be identified from ground vibration frequency spectra analysis of the blast event on a personal computer applying Fast Fourier transforms (FFT). The typical frequency range indicative of efficient rockmass fragmentation depends upon rockmass impedance and can be estimated from rockmass characteristics and monitoring few trial blasts. Blast event efficiency is estimated by comparing the typical frequency range with the dominant frequency range of the blast event record. A large number of blast events monitored and analyzed by the author in different rockmass formations and correlation of the results with observations made while fragmented material is lifted and loaded into trucks indicated that ground vibration frequency spectrum analysis could be used as a reliable and cost effective tool for assessing the blasting efficiency and optimizing blast design in large open-pit mines.

  13. Strain-induced vibration and temperature sensing BOTDA system combined frequency sweeping and slope-assisted techniques.

    PubMed

    Hu, Junhui; Xia, Lan; Yang, Li; Quan, Wenwen; Zhang, Xuping

    2016-06-13

    A BOTDA sensing scheme combined frequency sweeping and slope-assisted techniques is proposed and experimentally demonstrated for simultaneously temperature and strain-induced vibration sensing. In this scheme, during sweeping Brillouin gain spectrum (BGS) for temperature measurement, we simultaneously perform FFT to the time-domain traces whose probe-pump frequency difference (PPFD) is within the FWHM of the BGS at each position of fiber, and the location and the frequency of the strain-induced vibration event can be acquired based on SA-BOTDA technique. In this way, the vibration can be continuously measured at each selected working frequency point during the BGS scanning process and multiple measurements of vibration event can be completed in one whole BGS scanning process. Meanwhile, double sidebands probe method is employed to reduce the nonlocal effects. In our experiment, a temperature event and two vibration events with the frequency of 7.00Hz or 10.00Hz are simultaneously measured near the end of 10.6km long sensing fiber in a traditional BOTDA system. The system shows 1.2°C temperature accuracy and 0.67Hz frequency resolution, as well as a 3m spatial resolution. The proposed method may find some potential applications where both the strain-induced vibration frequency and temperature are the diagnostic objects.

  14. a Hamiltonian to Obtain a Global Frequency Analysis of all the Vibrational Bands of Ethane

    NASA Astrophysics Data System (ADS)

    Moazzen-Ahmadi, Nasser; Norooz Oliaee, Jalal

    2016-06-01

    The interest in laboratory spectroscopy of ethane stems from the desire to understand the methane cycle in the atmospheres of planets and their moons and from the importance of ethane as a trace species in the terrestrial atmosphere. Solar decomposition of methane in the upper part of these atmospheres followed by a series of reactions leads to a variety of hydrocarbon compounds among which ethane is often the second most abundant species. Because of its high abundance, ethane spectra have been measured by Voyager and Cassini in the regions around 30, 12, 7, and 3 μm. Therefore, a complete knowledge of line parameters of ethane is crucial for spectroscopic remote sensing of planetary atmospheres. Experimental characterization of torsion-vibration states of ethane lying below 1400 cm-1 have been made previously, but extension of the Hamiltonian model for treatment of the strongly perturbed νb{8} fundamental and the complex band system of ethane in the 3 micron region requires careful examination of the operators for many new torsionally mediated vibration-rotation interactions. Following the procedures outlined by Hougen, we have re-examined the transformation properties of the total angular momentum, the translational and vibrational coordinates and momenta of ethane, and for vibration-torsion-rotation interaction terms constructed by taking products of these basic operators. It is found that for certain choices of phase, the doubly degenerate vibrational coordinates with and symmetry can be made to transform under the group elements in such a way as to yield real matrix elements for the torsion-vibration-rotation couplings whereas other choices of phase may require complex algebra. In this talk, I will discuss the construction of a very general torsion-vibration-rotation Hamiltonian for ethane, as well as the prospect for using such a Hamiltonian to obtain a global frequency analysis (based in large part on an extension of earlier programs and ethane fits^a from

  15. Temperature dependence of the low frequency dynamics of myoglobin. Measurement of the vibrational frequency distribution by inelastic neutron scattering.

    PubMed Central

    Cusack, S; Doster, W

    1990-01-01

    Inelastic neutron scattering spectra of myoglobin hydrated to 0.33 g water (D2O)/g protein have been measured in the low frequency range (1-150 cm-1) at various temperatures between 100 and 350 K. The spectra at low temperatures show a well-resolved maximum in the incoherent dynamic structure factor Sinc(q, omega) at approximately 25 cm-1 and no elastic broadening. This maximum becomes gradually less distinct above 180 K due to the increasing amplitude of quasielastic scattering which extends out to 30 cm-1. The vibrational frequency distribution derived independently at 100 and 180 K are very similar, suggesting harmonic behavior at these temperatures. This result has been used to separate the vibrational motion from the quasielastic motion at temperatures above 180 K. The form of the density of states of myoglobin is discussed in relation to that of other amorphous systems, to theoretical calculations of low frequency modes in proteins, and to previous observations by electron-spin relaxation of fractal-like spectral properties of proteins. The onset of quasielastic scattering above 180 K is indicative of a dynamic transition of the system and correlates with an anomalous increase in the atomic mean-squared displacements observed by Mössbauer spectroscopy (Parak, F., E. W. Knapp, and D. Kucheida. 1982. J. Mol. Biol. 161: 177-194.) and inelastic neutron scattering (Doster, W., S. Cusack, and W. Petry, 1989. Nature [Lond.]. 337: 754-756.) Similar behavior is observed for a hydrated powder of lysozyme suggesting that the low frequency dynamics of globular proteins have common features. PMID:2166599

  16. On the efficacy of the wavelet decomposition for high frequency vibration analyses

    NASA Astrophysics Data System (ADS)

    Zhang, S.; Cheng, L.

    2016-10-01

    This paper reports the extraordinary ability of the wavelet decomposition for vibration analyses under the framework of Rayleigh-Ritz method. Using a beam as an example, Daubechies wavelet scale functions are used as admissible functions for decomposing the flexural displacement of the structure, along with the artificial springs at the boundary, to predict vibration of an Euler-Bernoulli beam in an extremely large frequency range. It is shown that the use of wavelet basis allows reaching very high frequencies, typically covering more than 1000 modes using conventional computational facility within the available numerical dynamics of the computers with no particular care needed for round-off errors. As a side benefit, the use of spring boundary also allows handling any elastic boundary conditions through a dynamic contribution in the Hamiltonian of the beam. The wavelet decomposed approach combines the flexibility of the global methods and the accuracy of local methods by inheriting the versatility of the Rayleigh-Ritz approach and the superior fitting ability of the wavelets. Numerical results on both free and forced vibrations are given, in excellent agreement with predictions of classical methods.

  17. The effect of lubricant supply and frequency upon the behaviour of EHD films subjected to vibrations

    NASA Astrophysics Data System (ADS)

    Glovnea, R.; Zhang, X.; Sugimura, J.

    2017-02-01

    Machine elements such as rolling element bearings or gears often experience vibrations due to for example geometrical inaccuracies, shock loading, rotating unbalanced masses, and others. These machine elements rely on a very thin lubricant film to protect the metallic surfaces from direct contact and eventual damage. During rapid variation of load the elastohydrodynamic contact is influenced by the so-called squeeze film effect, however, when both entrainment and squeeze are present, the conditions of film formation are more complex. It is expected that the lubricant film thickness is influenced by the amplitude and frequency of the vibrations. At the same time, as it is known that the film thickness is established in the inlet of the contact, it is equally important to evaluate what is the role played by the supply of lubricant to the contact under oscillatory conditions. To date there are not many studies on the effect of the oscillatory motion parameters upon the behaviour of the lubricant film. In this study the focus is on the effect of the frequency of vibrations and the supply of lubricant upon the film thickness.

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

    PubMed Central

    Bauhofer, Anton; Krödel, Sebastian; Palermo, Antonio; Daraio, Chiara

    2016-01-01

    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. PMID:27410042

  19. 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.

  20. Ultralow frequency acoustic bandgap and vibration energy recovery in tetragonal folding beam phononic crystal

    NASA Astrophysics Data System (ADS)

    Gao, Nansha; Wu, Jiu Hui; Yu, Lie; Hou, Hong

    2016-06-01

    This paper investigates ultralow frequency acoustic properties and energy recovery of tetragonal folding beam phononic crystal (TFBPC) and its complementary structure. The dispersion curve relationships, transmission spectra and displacement fields of the eigenmodes are studied with FEA in detail. Compared with the traditional three layer phononic crystal (PC) structure, this structure proposed in this paper not only unfold bandgaps (BGs) in lower frequency range (below 300 Hz), but also has lighter weight because of beam structural cracks. We analyze the relevant physical mechanism behind this phenomenon, and discuss the effects of the tetragonal folding beam geometric parameters on band structure maps. FEM proves that the multi-cell structures with different arrangements have different acoustic BGs when compared with single cell structure. Harmonic frequency response and piezoelectric properties of TFBPC are specifically analyzed. The results confirm that this structure does have the recovery ability for low frequency vibration energy in environment. These conclusions in this paper could be indispensable to PC practical applications such as BG tuning and could be applied in portable devices, wireless sensor, micro-electro mechanical systems which can recycle energy from vibration environment as its own energy supply.

  1. 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.

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

    PubMed

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

    2016-07-26

    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.

  3. Instantaneous pair theory for high-frequency vibrational energy relaxation in fluids

    NASA Astrophysics Data System (ADS)

    Larsen, Ross E.; Stratt, Richard M.

    1999-01-01

    Notwithstanding the long and distinguished history of studies of vibrational energy relaxation, exactly how it is that high frequency vibrations manage to relax in a liquid remains somewhat of a mystery. Both experimental and theoretical approaches seem to say that there is a natural frequency range associated with intermolecular motion in liquids, typically spanning no more than a few hundred cm-1. Landau-Teller-type theories explain rather easily how a solvent can absorb any vibrational energy within this "band," but how is it that molecules can rid themselves of superfluous vibrational energies significantly in excess of these values? In this paper we develop a theory for such processes based on the idea that the crucial liquid motions are those that most rapidly modulate the force on the vibrating coordinate — and that by far the most important of these motions are those involving what we have called the mutual nearest neighbors of the vibrating solute. Specifically, we suggest that whenever there is a single solvent molecule sufficiently close to the solute that the solvent and solute are each other's nearest neighbors, then the instantaneous scattering dynamics of the solute-solvent pair alone suffices to explain the high-frequency relaxation. This highly reduced version of the dynamics has implications for some of the previous theoretical formulations of this problem. Previous instantaneous-normal-mode theories allowed us to understand the origin of a band of liquid frequencies, and even had some success in predicting relaxation within this band, but lacking a sensible picture of the effects of liquid anharmonicity on dynamics, were completely unable to treat higher frequency relaxation. When instantaneous-normal-mode dynamics is used to evaluate the instantaneous pair theory, though, we end up with a multiphonon picture of the relaxation which is in excellent agreement with the exact high-frequency dynamics — suggesting that the critical anharmonicity

  4. Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against ab Initio Calculations.

    PubMed

    Bâldea, Ioan

    2017-03-23

    Recent advances in nano/molecular electronics and electrochemistry made it possible to continuously tune the fractional charge q of single molecules and to use vibrational spectroscopic methods to monitor such changes. Approaches to compute vibrational frequencies ω(q) of fractionally charged species based on the density functional theory (DFT) are faced with an important issue: the basic quantity used in these calculations, the total energy, should exhibit piecewise linearity with respect to the fractional charge, but approximate, commonly utilized exchange correlation functionals do not obey this condition. In this paper, with the aid of a simple and representative example, we benchmark results for ω(q) obtained within the DFT against ab initio methods, namely, coupled cluster singles and doubles and also second- and third-order Møller-Plesset perturbation) expansions. These results indicate that, in spite of missing the aforementioned piecewise linearity, DFT-based values ω(q) can reasonably be trusted.

  5. Low Frequency Vibrating Optical System for Detecting Objects Buried in Turbid Media: Preliminary Results

    NASA Astrophysics Data System (ADS)

    Cywiak, D.; Cywiak, M.; Pérez-Solano, R.; Gutiérrez-Juárez, G.

    2012-11-01

    Preliminary results of an in-plane vibrating system to image objects buried in turbid media are presented. The incident optical beam is vibrated in a periodic back-and-forth motion at low frequency and small constant amplitude in a plane perpendicular to the direction of the beam. The detection is performed in the AC mode, blocking the DC component. The system shows a dramatic increase in the AC signal whenever the target boundary intersects with the reference line between the incident laser beam and a photodiode after a small aperture. The system was capable to render visible 2 mm width objects buried at depths up to 3 cm from the front surface of a 1% intralipid sample.

  6. Frequency-resolved optical gating technique for retrieving the amplitude of a vibrational wavepacket

    PubMed Central

    Nabekawa, Yasuo; Furukawa, Yusuke; Okino, Tomoya; Amani Eilanlou, A.; Takahashi, Eiji J.; Yamanouchi, Kaoru; Midorikawa, Katsumi

    2015-01-01

    We propose a novel method to determine the complex amplitude of each eigenfunction composing a vibrational wavepacket of / molecular ions evolving with a ~10 fs time scale. We find that the two-dimensional spectrogram of the kinetic energy release (KER) of H+/D+ fragments plotted against the time delay of the probe pulse is equivalent to the spectrogram used in the frequency-resolved optical gating (FROG) technique to retrieve the complex amplitude of an ultrashort optical pulse. By adapting the FROG algorithm to the delay-KER spectrogram of the vibrational wavepacket, we have successfully reconstructed the complex amplitude. The deterioration in retrieval accuracy caused by the bandpass filter required to process actual experimental data is also discussed. PMID:26068640

  7. Diffusion regime for high-frequency vibrations of randomly heterogeneous structures.

    PubMed

    Savin, Eric

    2008-12-01

    The evolution of the high-frequency vibrational energy density of slender heterogeneous structures such as Timoshenko beams or thick shells is depicted by transport equations or radiative transfer equations (RTEs) in the presence of random heterogeneities. A diffusive regime arises when their correlation lengths are comparable to the wavelength, among other possible situations, and waves are multiply scattered. The purpose of this paper is to expound how diffusion approximations of the RTEs for elastic structures can be derived and to discuss the relevance of the vibrational conductivity analogy invoked in the structural acoustics literature. Its main contribution is the consideration of a heterogeneous background medium with varying parameters and the effects of polarization of elastic waves. The paper also outlines some of the remarkable features of the diffusive regime: depolarization of waves, energy equipartition, and asymptotic Fick's law.

  8. Frequency-resolved optical gating technique for retrieving the amplitude of a vibrational wavepacket

    NASA Astrophysics Data System (ADS)

    Nabekawa, Yasuo; Furukawa, Yusuke; Okino, Tomoya; Amani Eilanlou, A.; Takahashi, Eiji J.; Yamanouchi, Kaoru; Midorikawa, Katsumi

    2015-06-01

    We propose a novel method to determine the complex amplitude of each eigenfunction composing a vibrational wavepacket of / molecular ions evolving with a ~10 fs time scale. We find that the two-dimensional spectrogram of the kinetic energy release (KER) of H+/D+ fragments plotted against the time delay of the probe pulse is equivalent to the spectrogram used in the frequency-resolved optical gating (FROG) technique to retrieve the complex amplitude of an ultrashort optical pulse. By adapting the FROG algorithm to the delay-KER spectrogram of the vibrational wavepacket, we have successfully reconstructed the complex amplitude. The deterioration in retrieval accuracy caused by the bandpass filter required to process actual experimental data is also discussed.

  9. 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.

  10. Modal identification using the frequency-scale domain decomposition technique of ambient vibration responses

    NASA Astrophysics Data System (ADS)

    Le, Thien-Phu; Argoul, Pierre

    2016-12-01

    This paper proposes a new modal identification method of ambient vibration responses. The application of the singular value decomposition to continuous wavelet transform of power spectral density matrix gives singular values and singular vectors in frequency-scale domain. Analytical development shows a direct relation between local maxima in frequency-scale representation of singular values and modal parameters. This relation is then carried on for the identification of modal parameters via a complete practical procedure. The main novelties of this work involve the new formulation in frequency-scale domain and the capacity for the identification of modal parameters without the step of ridges extraction in comparison with previous wavelet-based modal identification methods.

  11. Time-domain filtered-x-Newton narrowband algorithms for active isolation of frequency-fluctuating vibration

    NASA Astrophysics Data System (ADS)

    Li, Yan; He, Lin; Shuai, Chang-geng; Wang, Fei

    2016-04-01

    A time-domain filtered-x Newton narrowband algorithm (the Fx-Newton algorithm) is proposed to address three major problems in active isolation of machinery vibration: multiple narrowband components, MIMO coupling, and amplitude and frequency fluctuations. In this algorithm, narrowband components are extracted by narrowband-pass filters (NBPF) and independently controlled by multi-controllers, and fast convergence of the control algorithm is achieved by inverse secondary-path filtering of the extracted sinusoidal reference signal and its orthogonal component using L×L numbers of 2nd-order filters in the time domain. Controller adapting and control signal generation are also implemented in the time domain, to ensure good real-time performance. The phase shift caused by narrowband filter is compensated online to improve the robustness of control system to frequency fluctuations. A double-reference Fx-Newton algorithm is also proposed to control double sinusoids in the same frequency band, under the precondition of acquiring two independent reference signals. Experiments are conducted with an MIMO single-deck vibration isolation system on which a 200 kW ship diesel generator is mounted, and the algorithms are tested under the vibration alternately excited by the diesel generator and inertial shakers. The results of control over sinusoidal vibration excited by inertial shakers suggest that the Fx-Newton algorithm with NBPF have much faster convergence rate and better attenuation effect than the Fx-LMS algorithm. For swept, frequency-jumping, double, double frequency-swept and double frequency-jumping sinusoidal vibration, and multiple high-level harmonics in broadband vibration excited by the diesel generator, the proposed algorithms also demonstrate large vibration suppression at fast convergence rate, and good robustness to vibration with frequency fluctuations.

  12. A vibration isolation system in low frequency excitation region using negative stiffness structure for vehicle seat

    NASA Astrophysics Data System (ADS)

    Le, Thanh Danh; Ahn, Kyoung Kwan

    2011-12-01

    This paper designs and fabricates a vibration isolation model for improving vibration isolation effectiveness of the vehicle seat under low excitation frequencies. The feature of the proposed system is to use two symmetric negative stiffness structures (NSS) in parallel to a positive stiffness structure. Here, theoretical analysis of the proposed system is clearly presented. Then, the design procedure is derived so that the resonance peak of frequency-response curve drifts to the left, the load support capacity of the system is maintained, the total size of the system is reduced for easy practical application and especially, the bending of the frequency-response curve is minimized. Next the dynamic equation of the proposed system is set up. Then, the harmonic balance (HB) method is employed to seek the characteristic of the motion transmissibility of the proposed system at the steady state for each of the excitation frequency. From this characteristic, the curves of the motion transmission are predicted according to the various values of the configurative parameters of the system. Then, the time responses to the sinusoidal, multi frequency and random excitations are also investigated by simulation and experiment. In addition, the isolation performance comparison between the system with NSS and system without NSS is realized. The simulation results reveal that the proposed system has larger frequency region of isolation than that of the system without NSS. The experimental results confirm also that with a random excitation mainly spreading from 0.1 to 10 Hz, the isolation performance of the system with NSS is greatly improved, where the RMS values of the mass displacement may be reduced to 67.2%, whereas the isolation performance of the system without NSS is bad. Besides, the stability of the steady-state response is also studied. Finally, some conclusions are given.

  13. 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.

  14. Multiscale wireless sensor node for impedance-based SHM and low-frequency vibration data acquisition

    SciTech Connect

    Taylor, Stuart G; Farinholt, Kevin M; Park, Gyuhae; Farrar, Charles R; Todd, Michael D

    2009-01-01

    This paper presents recent developments in an extremely compact, wireless impedance sensor node (WID3, Wireless Impedance Device) at Los Alamos National Laboratory for use in impedance-based structural health monitoring (SHM), Sensor diagnostics and low-frequency vibrational data acquisition. The current generation WID3 is equipped with an Analog Devices AD5933 impedance chip that can resolve measurements up to 100 kHz, a frequency range ideal for many SHM applications. An integrated set of multiplexers allows the end user to monitor seven piezoelectric sensors from a single sensor node. The WID3 combines on-board processing using an Atmega1281 microcontroller, data storage using flash memory, wireless communications capabilities, and a series of internal and external triggering options into a single package to realize a truly comprehensive, self-contained wireless active-sensor node for SHM applications. Furthermore, we recently extended the capability of this device by implementing low-frequency analog to digital and digital and analog converters so that the same device can measure structural vibration data. The WID3 requires less than 70 mW of power to operate, and it can operate in various wireless network paradigms. The performance of this miniaturized and portable device is compared to our previous results and its broader capabilities are demonstrated.

  15. Relationship between low-frequency aircraft noise and annoyance due to rattle and vibration.

    PubMed

    Fidell, Sanford; Pearsons, Karl; Silvati, Laura; Sneddon, Matthew

    2002-04-01

    A near-replication of a study of the annoyance of rattle and vibration attributable to aircraft noise [Fidell et al., J. Acoust. Soc. Am. 106, 1408-1415 (1999)] was conducted in the vicinity of Minneapolis-St. Paul International Airport (MSP). The findings of the current study were similar to those reported earlier with respect to the types of objects cited as sources of rattle in homes, frequencies of notice of rattle, and the prevalence of annoyance due to aircraft noise-induced rattle. A reliably lower prevalence rate of annoyance (but not of complaints) with rattle and vibration was noted among respondents living in homes that had been treated to achieve a 5-dB improvement in A-weighted noise reduction than among respondents living in untreated homes. This difference is not due to any substantive increase in low-frequency noise reduction of acoustically treated homes, but may be associated with installation of nonrattling windows. Common interpretations of the prevalence of a consequential degree of annoyance attributable to low-frequency aircraft noise may be developed from the combined results of the present and prior studies.

  16. The effect of classical and quantum dynamics on vibrational frequency shifts of H2 in clathrate hydrates.

    PubMed

    Plattner, Nuria; Meuwly, Markus

    2014-01-14

    Vibrational frequency shifts of H2 in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H2 in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H2 in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H2 vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H2 in the 5(12) cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5(12) cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5(12)6(4) cages for which higher occupation numbers than one H2 per cage are likely.

  17. The effect of classical and quantum dynamics on vibrational frequency shifts of H{sub 2} in clathrate hydrates

    SciTech Connect

    Plattner, Nuria; Meuwly, Markus

    2014-01-14

    Vibrational frequency shifts of H{sub 2} in clathrate hydrates are important to understand the properties and elucidate details of the clathrate structure. Experimental spectra of H{sub 2} in clathrate hydrates have been measured for different clathrate compositions, temperatures, and pressures. In order to establish reliable relationships between the clathrate structure, dynamics, and observed frequencies, calculations of vibrational frequency shifts in different clathrate environments are required. In this study, a combination of classical molecular dynamics simulations, electronic structure calculations, and quantum dynamical simulation is used to calculate relative vibrational frequencies of H{sub 2} in clathrate hydrates. This approach allows us to assess dynamical effects and simulate the change of vibrational frequencies with temperature and pressure. The frequency distributions of the H{sub 2} vibrations in the different clathrate cage types agree favorably with experiment. Also, the simulations demonstrate that H{sub 2} in the 5{sup 12} cage is more sensitive to the details of the environment and to quantum dynamical effects, in particular when the cage is doubly occupied. We show that for the 5{sup 12} cage quantum effects lead to frequency increases and double occupation is unlikely. This is different for the 5{sup 12}6{sup 4} cages for which higher occupation numbers than one H{sub 2} per cage are likely.

  18. Temporal response of biological cells to high-frequency optical jumping and vibrating tweezers

    NASA Astrophysics Data System (ADS)

    Yu, Lingyao; Sheng, Yunlong

    2014-09-01

    We analyzed the temporal responses of biological cells in the jumping and vibrating optical tweezers for tugging, wiggling and stretching the cells with the finite element method. Some new concepts were established, which might be investigated in the future experiments, such as the jumping of local stress and local strain, independently on the recovery time of the viscoelastic material and on the jumping frequency, the energy dissipation in the hysteresis cycles, the cytoplasm fluid field and its interaction with the cell membrane. The cell was modeled with full 3D structure and viscoelastic continuum materials.

  19. Computational procedures for evaluating the sensitivity derivatives of vibration frequencies and Eigenmodes of framed structures

    NASA Technical Reports Server (NTRS)

    Fetterman, Timothy L.; Noor, Ahmed K.

    1987-01-01

    Computational procedures are presented for evaluating the sensitivity derivatives of the vibration frequencies and eigenmodes of framed structures. Both a displacement and a mixed formulation are used. The two key elements of the computational procedure are: (a) Use of dynamic reduction techniques to substantially reduce the number of degrees of freedom; and (b) Application of iterative techniques to improve the accuracy of the derivatives of the eigenmodes. The two reduction techniques considered are the static condensation and a generalized dynamic reduction technique. Error norms are introduced to assess the accuracy of the eigenvalue and eigenvector derivatives obtained by the reduction techniques. The effectiveness of the methods presented is demonstrated by three numerical examples.

  20. Comparison of DFT with Traditional Methods for the Calculation of Vibrational Frequencies and Bond Energies

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

    The vibrational frequencies of MO2 are computed at many levels of theory, including HF, B3LYP, BP86, CASSCF, MP2, and CCSD(T). The computed results are compared with the available experimental results. Most of the methods fail for at least one state of the systems considered. The accuracy of the results and the origin of the observed failures are discussed. The B3LYP bond energies are compared with traditional methods for a variety of systems, ranging from FeCOn+ to SiCln and its positive ions. The cases where B3LYP differs from the traditional methods are discussed.

  1. First-Principles Framework to Compute Sum-Frequency Generation Vibrational Spectra of Semiconductors and Insulators

    NASA Astrophysics Data System (ADS)

    Wan, Quan; Galli, Giulia

    2015-12-01

    We present a first-principles framework to compute sum-frequency generation (SFG) vibrational spectra of semiconductors and insulators. The method is based on density functional theory and the use of maximally localized Wannier functions to compute the response to electric fields, and it includes the effect of electric field gradients at surfaces. In addition, it includes quadrupole contributions to SFG spectra, thus enabling the verification of the dipole approximation, whose validity determines the surface specificity of SFG spectroscopy. We compute the SFG spectra of ice Ih basal surfaces and identify which spectra components are affected by bulk contributions. Our results are in good agreement with experiments at low temperature.

  2. Vibrational frequencies of anti-diabetic drug studied by terahertz time-domain spectroscopy

    NASA Astrophysics Data System (ADS)

    Du, S. Q.; Li, H.; Xie, L.; Chen, L.; Peng, Y.; Zhu, Y. M.; Li, H.; Dong, P.; Wang, J. T.

    2012-04-01

    By using terahertz time-domain spectroscopy, the absorption spectra of seven anti-diabetic pills have been investigated. For gliquidone, glipizide, gliclazide, and glimepiride, an obvious resonance peak is found at 1.37 THz. Furthermore, to overcome the limit of density functional theory that can analyze the normal mode frequencies of the ground state of organic material, we also present a method that relies on pharmacophore recognition, from which we can obtain the resonance peak at 1.37 THz can be attributed to the vibration of sulfonylurea group. The results indicate that the veracity of density functional theory can be increased by combining pharmacophore recognition.

  3. 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.

  4. 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.

  5. Proteins at interfaces probed by chiral vibrational sum frequency generation spectroscopy.

    PubMed

    Yan, Elsa C Y; Wang, Zhuguang; Fu, Li

    2015-02-19

    Characterizations of protein structures at interfaces are important in solving an array of fundamental and engineering problems, including understanding transmembrane signal transduction and molecular transport processes and development of biomaterials to meet the needs of biomedical and energy research. However, in situ and real-time characterization of protein secondary structures is challenging because it requires physical methods that are selective to both interface and secondary structures. Here, we summarize recent experimental developments in our laboratory of chiral vibrational sum frequency generation spectroscopy (SFG) for analyzing protein structures at interfaces. We showed that chiral SFG provides vibrational optical signatures of the peptide N-H stretch and amide I modes that can distinguish various protein secondary structures. Using these signatures, we further applied chiral SFG to probe orientations and folding kinetics of proteins at interfaces. Our results show that chiral SFG is a background-free, label-free, in situ, and real-time vibrational method for studying proteins at interfaces. This recent progress demonstrates the potential of chiral SFG in solving problems related to proteins and other chiral biopolymers at interfaces.

  6. 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.

  7. 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.

  8. Postural responses to various frequencies of vibration of the triceps surae and forefoot sole during quiet standing.

    PubMed

    Naka, Masami; Fujiwara, Katsuo; Kiyota, Naoe

    2015-01-01

    The purpose of this study was to determine the role of somatosensory input to the sensory reference system in quiet standing. We applied vibration (0.5 mm amplitude, 1-60 Hz) to the triceps surae and the forefoot sole to stimulate the muscle spindles and the mechanoreceptors, respectively, and evaluated postural responses. Thirteen young healthy adults who showed backward-lean and forward-lean responses to vibration at high and low frequencies, respectively, participated in the full experiment. The lowest vibration frequencies inducing backward-lean responses (B-LF) were 15-55 Hz for the triceps surae and 16-60 Hz for the forefoot sole. The highest frequencies inducing forward-lean responses (F-HF) were 3-18 Hz for the triceps surae and 1-20 Hz for the forefoot sole. When vibration was simultaneously applied to the triceps surae and forefoot sole at F-HF, no response was induced in 70% of trials. A forward-lean response was induced in the remaining 30% of trials. Simultaneous vibration of the triceps surae and forefoot sole at B-LF induced backward-lean responses in all trials. All postural responses occurred 0.5-4.3 s after vibration onset. Postural responses to high-frequency vibration conceivably occur as a compensatory movement to the illusionary perception that standing position is deviating forward from quiet standing, which must be a reference position. Postural responses to low-frequency vibration possibly occur to equalize the positional information that is received from the triceps surae and the forefoot sole. Both postural responses are likely to involve the sensory reference system, which is located in the supraspinal nervous system.

  9. On Enhancement of Fluid Flow in Porous Media by Application of Low-Frequency Sonic Vibrations

    NASA Astrophysics Data System (ADS)

    Iassonov, P. P.; Beresnev, I. A.

    2001-05-01

    Numerous observations and laboratory experiments show that application of vibrations at different frequencies may significantly enhance transport of non-aqueous phase liquids (NAPLs) in porous media. However, the physical mechanisms governing the coupling between stress (seismic) waves and multiphase fluid flow are poorly understood. There are many mechanisms thought to be responsible for the observed fluid-sound interaction. Among these are the reduction in the effect of capillary forces, destruction of films adsorbed on pore boundaries, fluid resonance, coalescence of NAPL ganglia, and peristaltic transport. The high-frequency sonic waves as an aid in the stimulation of NAPL flow are extremely limited in distance range due to high attenuation. Only low-frequency waves can reach regions of the reservoirs or aquifers that are far from boreholes. Our analyses suggest that, in the low-frequency range, non-linear rheology of the fluid and capillary forces may be the predominant mechanisms of stimulation. Our theoretical model thus incorporates these mechanisms for a case of a flow through a circular tube. It was shown in earlier studies that crude oil demonstrates yield-stress behavior; the yield-stress rheology was thus assumed in our model. The exact rheological parameters of higher-grade oils in the near-zero stress range are unknown; however, these parameters can be indirectly estimated from field data. The model shows that low-frequency waves of relatively low intensity can significantly enhance the flow rate of a yield-stress fluid under small external-pressure gradients. We estimated the parameters of the sonic field for a possible field implementation and the range of its applicability. As opposed to rheological properties, the capillary effects on the flow are well known, but only the resonance effects have been previously studied in connection with the effect of vibrations. We have demonstrated that, due to the effect of "pinning" of NAPL menisci on the

  10. 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.

  11. Low-frequency and wideband vibration energy harvester with flexible frame and interdigital structure

    SciTech Connect

    Li, Pengwei Wang, Yanfen; Luo, Cuixian; Li, Gang; Hu, Jie; Zhang, Wendong; Liu, Ying; Liu, Wei

    2015-04-15

    As an alternative to traditional cantilever beam structures and their evolutions, a flexible beam based, interdigital structure, vibration energy harvester has been presented and investigated. The proposed interdigital-shaped oscillator consists of a rectangular flexible frame and series of cantilever beams interdigitally bonded to it. In order to achieve low frequency and wide-bandwidth harvesting, Young’s modulus of materials, frame size and the amount of the cantilevers have been studied systematically. The measured frequency responses of the designed device (PDMS frame, quintuple piezoelectric cantilever beams) show a 460% increase in bandwidth below 80Hz. When excited at an acceleration of 1.0 g, the energy harvester achieves to a maximum open-circuit voltage of 65V, and the maximum output power 4.5 mW.

  12. Vibration energy harvester with low resonant frequency based on flexible coil and liquid spring

    NASA Astrophysics Data System (ADS)

    Wang, Y.; Zhang, Q.; Zhao, L.; Tang, Y.; Shkel, A.; Kim, E. S.

    2016-11-01

    This paper reports an electromagnetic vibration-energy harvester with low resonant frequency based on liquid spring composed of ferrofluid. Cylinder magnet array formed by four disc NdFeB magnets is suspended by ferrofluid in a laser-machined acrylic tube which is wrapped by flexible planar coil fabricated with microfabrication process. The magnet array and coil are aligned automatically by the ferrofluid. Restoring force when the magnet array is deviated from the balance position is proportional to the deviated distance, which makes the ferrofluid work as a liquid spring obeying Hook's law. Experimental results show that the electromagnetic energy harvester occupying 1.8 cc and weighing 5 g has a resonant frequency of 16 Hz and generates an induced electromotive force of Vrms = 2.58 mV (delivering 79 nW power into matched load of 21 Ω) from 3 g acceleration at 16 Hz.

  13. A vibrating reed apparatus to measure the natural frequency of multilayered thin films

    NASA Astrophysics Data System (ADS)

    Gamboa, F.; López, A.; Avilés, F.; Corona, J. E.; Oliva, A. I.

    2016-04-01

    An apparatus for measuring the natural frequency of sub-micrometric layered films in cantilever beam configuration is presented. The instrument comprises a specially designed test rig with a sample holder, an electronic excitation source, a vibration sensor and an automated software for the excitation and data recollection. The beam is excited by means of an air pulse and the oscillation amplitude of its free end is measured through a laser diode-photosensor arrangement. The instrument provides a very low uncertainty (˜1 mHz, for frequencies of the order of tens Hz) for repeated sequential tests and the major source of uncertainty (˜0.2 Hz, corresponding to a coefficient of variation of 0.18%) arises from the difficulty of placing the sample in an exactly identical location upon clamping. This high sensitivity renders the capability of measuring very small frequency shifts upon deposition of sub-micrometric films over thicker substrates. In order to assess the reliability of the apparatus, cantilever beams of 125 μm thick neat Kapton (substrate) and thin layered films of Au/Kapton and Al/Au/Kapton of 200-250 nm film thickness were fabricated and their natural frequency and damping factor were measured. Calculations of the natural frequency of such beams by finite element analysis further support the accuracy of the experimental measurements.

  14. The dispersion correction and weak-hydrogen-bond network in low-frequency vibration of solid-state salicylic acid

    NASA Astrophysics Data System (ADS)

    Takahashi, Masae; Ishikawa, Yoichi; Ito, Hiromasa

    2012-04-01

    We perform the dispersion-corrected first-principles calculations of vibrational absorption and the far-infrared (terahertz) spectroscopic experiments at different temperature to examine the effect of weak-hydrogen-bond network on the low-frequency vibrations of solid-state salicylic acid. By dispersion correction, calculated frequencies improve especially in the intermonomer torsion and interdimer translational modes which are closely related to the weak hydrogen bonds. The calculated frequencies and their relative intensities reproduce the observed spectrum in the accuracy of 10 cm-1 or less. Weak-hydrogen-bond network causes a large frequency shift of out-of-plane intermonomer modes and enhances interdimer translational modes accompanied by the O⋯H stretching vibrations.

  15. A new aromatic probe - The ring stretching vibration Raman spectroscopy frequency

    NASA Astrophysics Data System (ADS)

    Guo, Yan-bo; Liu, Zi-zhong; Liu, Hong-xia; Zhang, Feng-ying; Yin, Jun-qing

    2016-07-01

    A new aromatic criterion is presented to determine the aromatic degree of the high symmetric molecules. Group theory is used to explain the correlation between the aromatic degree and the value of Ring Stretching Vibration Raman Spectroscopic Frequency (RSVRSF). The calculations of the geometrical optimization, nucleus-independent chemical shifts (NICS) and values of the Raman Spectroscopy for the aromatic molecules-LnHn (L = C, Si, Ge, n = 3, 5-8) were performed using the Density Functional Theory (DFT) Method, as well as the correlations between the values of their RSVRSF and NICS values by Statistic Package for Social Science (SPSS17.0). There are high positive correlations between the theoretical calculated the NICS values and the value of the RSVRSF (A1g/A1‧) of the LnHn (L = C, Si, Ge, n = 3, 5-8). The bigger the aromatic degree, the bigger the RSVRSF is. The value of the RSVRSF is a new probe of aromaticity. Expectedly, it is predicted that the experimental determination of the aromatic degree can be achieved by the determination of the ring stretching vibration (A1g/A1‧) Raman spectrum frequencies for the aromatic target molecules.

  16. Low-frequency vibration modulation of guided waves to image nonlinear scatterers for structural health monitoring

    NASA Astrophysics Data System (ADS)

    Jiao, J. P.; Drinkwater, B. W.; Neild, S. A.; Wilcox, P. D.

    2009-06-01

    Guided wave structural health monitoring offers the prospect of continuous interrogation of large plate-like structures with a sparse network of permanently attached sensors. Currently, the most common approach is to monitor changes in the received signals by subtraction from a reference signal obtained when the structure was known to be defect-free. In this paper a comparison is made between this defect-free subtraction approach and a technique in which low-frequency vibration modulation of guided wave signals is used to detect nonlinear scatterers. The modulation technique potentially overcomes the need for the defect-free reference measurement as the subtraction is now made between different parts of an externally applied low-frequency vibration. Linear defects were simulated by masses bonded onto a plate and nonlinear scatterers were simulated by loading a similar mass against the plate. The experimental results show that the defect-free subtraction technique performs well in detecting the bonded mass whereas the modulation technique is able to discriminate between the bonded and loaded masses. Furthermore, because the modulation technique does not require a defect-free reference, it is shown to be relatively independent of temperature effects, a significant problem for reference based subtraction techniques.

  17. 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.

  18. Reorganization of intramolecular high frequency vibrational modes and dynamic solvent effect in electron transfer reactions.

    PubMed

    Yudanov, Vladislav V; Mikhailova, Valentina A; Ivanov, Anatoly I

    2012-04-26

    The possibility of the multichannel stochastic model to adequately describe all principal regularities observed in thermal electron transfer kinetics has been demonstrated. The most important are as follows: (i) the model predicts the solvent controlled regime in the Marcus normal region and its almost full suppression in the Marcus inverted region as well as a continuous transition between them in the vicinity of the activationless region; (ii) the suppression of dynamic solvent effect (DSE) is principally caused by the reorganization of high frequency vibrational modes; (iii) an additional factor of the DSE suppression stems from fast solvent relaxation component; (iv) in the inverted region, the multichannel stochastic model predicts the apparent activation energy to be much less than that calculated with Marcus equation. The exploration of the multichannel stochastic model has allowed one to conclude that the reorganization of high frequency vibrational modes can (i) raise the maximum rate constant above the solvent controlled limit by 2 and more orders of magnitude, (ii) shift the rate constant maximum to larger values of the free energy gap, and (iii) approach the electron transfer kinetics to the nonadiabatic regime.

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

    PubMed

    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/s(2), 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).

  20. [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.

  1. Optical multi-frequency swept sensing for wide-field vibration measurement of interior surfaces in biological tissue

    NASA Astrophysics Data System (ADS)

    Choi, S.; Nin, F.; Hibino, H.; Suzuki, T.

    2015-12-01

    Multifrequency sensing technique adopting the wide field heterodyne detection technique is demonstrated for interior surface vibration measurements in thick biological tissue. These arrangements allow obtaining not only 3D tomographic images but also various vibration parameters such as spatial amplitude, phase, and frequency, with high temporal and transverse resolutions over a wide field. The axial resolution and the accuracy of vibration amplitude measurement were estimated to be 2.5 μm and 3 nm, respectively. This wide-field tomographic sensing method can be applied for measuring microdynamics of a variety of biological samples, thus contributing to the progress in life sciences research.

  2. 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.

  3. Focusing vibrating targets in frequency-modulation continuous-wave-synthetic aperture radar with Doppler keystone transform

    NASA Astrophysics Data System (ADS)

    Hu, Yuxin; Zhang, Yuan; Sun, Jinping; Lei, Peng

    2016-04-01

    Vibrating targets generally induce sinusoidal micro-Doppler modulation in high resolution synthetic aperture radar (SAR). They could cause defocused and ghost results by conventional imaging algorithms. This paper proposes a method on vibrating target imaging in frequency-modulation continuous-wave (FMCW) SAR systems. The continuous motion of sensor platform during pulse time is considered in the signal model. Based on Bessel series expansion of the signal in the azimuth direction, the influence of platform motion on the azimuth frequency is eliminated after dechirp and deskew. In addition, the range walk is compensated in the two-dimensional frequency domain by Doppler keystone transform. Next, using range cell migration correction, the azimuth quadratic phase compensation and the range curvature correction are made in range-Doppler domain for the focus of paired echoes. The residual video phase of paired echoes is eliminated, and vibration parameters are estimated to compensate in the sinusoidal modulation phase. Then the deghosted image of vibrating targets can be obtained. The proposed method is applicable to multiple targets with various vibrating states due to no need of a priori knowledge of targets. Finally, simulations are carried out to validate the effectiveness of the method in FMCW-SAR imaging of vibrating targets.

  4. Definitions of non-stationary vibration power for time-frequency analysis and computational algorithms based upon harmonic wavelet transform

    NASA Astrophysics Data System (ADS)

    Heo, YongHwa; Kim, Kwang-joon

    2015-02-01

    While the vibration power for a set of harmonic force and velocity signals is well defined and known, it is not as popular yet for a set of stationary random force and velocity processes, although it can be found in some literatures. In this paper, the definition of the vibration power for a set of non-stationary random force and velocity signals will be derived for the purpose of a time-frequency analysis based on the definitions of the vibration power for the harmonic and stationary random signals. The non-stationary vibration power, defined as the short-time average of the product of the force and velocity over a given frequency range of interest, can be calculated by three methods: the Wigner-Ville distribution, the short-time Fourier transform, and the harmonic wavelet transform. The latter method is selected in this paper because band-pass filtering can be done without phase distortions, and the frequency ranges can be chosen very flexibly for the time-frequency analysis. Three algorithms for the time-frequency analysis of the non-stationary vibration power using the harmonic wavelet transform are discussed. The first is an algorithm for computation according to the full definition, while the others are approximate. Noting that the force and velocity decomposed into frequency ranges of interest by the harmonic wavelet transform are constructed with coefficients and basis functions, for the second algorithm, it is suggested to prepare a table of time integrals of the product of the basis functions in advance, which are independent of the signals under analysis. How to prepare and utilize the integral table are presented. The third algorithm is based on an evolutionary spectrum. Applications of the algorithms to the time-frequency analysis of the vibration power transmitted from an excitation source to a receiver structure in a simple mechanical system consisting of a cantilever beam and a reaction wheel are presented for illustration.

  5. Communication: Quantitative multi-site frequency maps for amide I vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Reppert, Mike; Tokmakoff, Andrei

    2015-08-01

    An accurate method for predicting the amide I vibrational spectrum of a given protein structure has been sought for many years. Significant progress has been made recently by sampling structures from molecular dynamics simulations and mapping local electrostatic variables onto the frequencies of individual amide bonds. Agreement with experiment, however, has remained largely qualitative. Previously, we used dipeptide fragments and isotope-labeled constructs of the protein G mimic NuG2b as experimental standards for developing and testing amide I frequency maps. Here, we combine these datasets to test different frequency-map models and develop a novel method to produce an optimized four-site potential (4P) map based on the CHARMM27 force field. Together with a charge correction for glycine residues, the optimized map accurately describes both experimental datasets, with average frequency errors of 2-3 cm-1. This 4P map is shown to be convertible to a three-site field map which provides equivalent performance, highlighting the viability of both field- and potential-based maps for amide I spectral modeling. The use of multiple sampling points for local electrostatics is found to be essential for accurate map performance.

  6. Communication: Quantitative multi-site frequency maps for amide I vibrational spectroscopy

    SciTech Connect

    Reppert, Mike; Tokmakoff, Andrei

    2015-08-14

    An accurate method for predicting the amide I vibrational spectrum of a given protein structure has been sought for many years. Significant progress has been made recently by sampling structures from molecular dynamics simulations and mapping local electrostatic variables onto the frequencies of individual amide bonds. Agreement with experiment, however, has remained largely qualitative. Previously, we used dipeptide fragments and isotope-labeled constructs of the protein G mimic NuG2b as experimental standards for developing and testing amide I frequency maps. Here, we combine these datasets to test different frequency-map models and develop a novel method to produce an optimized four-site potential (4P) map based on the CHARMM27 force field. Together with a charge correction for glycine residues, the optimized map accurately describes both experimental datasets, with average frequency errors of 2–3 cm{sup −1}. This 4P map is shown to be convertible to a three-site field map which provides equivalent performance, highlighting the viability of both field- and potential-based maps for amide I spectral modeling. The use of multiple sampling points for local electrostatics is found to be essential for accurate map performance.

  7. Time-dependent wave packet averaged vibrational frequencies from femtosecond stimulated Raman spectra

    NASA Astrophysics Data System (ADS)

    Wu, Yue-Chao; Zhao, Bin; Lee, Soo-Y.

    2016-02-01

    Femtosecond stimulated Raman spectroscopy (FSRS) on the Stokes side arises from a third order polarization, P(3)(t), which is given by an overlap of a first order wave packet, |" separators=" Ψ2 ( 1 ) ( p u , t ) > , prepared by a narrow band (ps) Raman pump pulse, Epu(t), on the upper electronic e2 potential energy surface (PES), with a second order wave packet, <" separators=" Ψ1 ( 2 ) ( p r ∗ , p u , t ) | , that is prepared on the lower electronic e1 PES by a broadband (fs) probe pulse, Epr(t), acting on the first-order wave packet. In off-resonant FSRS, |" separators=" Ψ2 ( 1 ) ( p u , t ) > resembles the zeroth order wave packet |" separators=" Ψ1 ( 0 ) ( t ) > on the lower PES spatially, but with a force on |" separators=" Ψ2 ( 1 ) ( p u , t ) > along the coordinates of the reporter modes due to displacements in the equilibrium position, so that <" separators=" Ψ1 ( 2 ) ( p r ∗ , p u , t ) | will oscillate along those coordinates thus giving rise to similar oscillations in P(3)(t) with the frequencies of the reporter modes. So, by recovering P(3)(t) from the FSRS spectrum, we are able to deduce information on the time-dependent quantum-mechanical wave packet averaged frequencies, ω ¯ j ( t ) , of the reporter modes j along the trajectory of |" separators=" Ψ1 ( 0 ) ( t ) > . The observable FSRS Raman gain is related to the imaginary part of P(3)(ω). The imaginary and real parts of P(3)(ω) are related by the Kramers-Kronig relation. Hence, from the FSRS Raman gain, we can obtain the complex P(3)(ω), whose Fourier transform then gives us the complex P(3)(t) to analyze for ω ¯ j ( t ) . We apply the theory, first, to a two-dimensional model system with one conformational mode of low frequency and one reporter vibrational mode of higher frequency with good results, and then we apply it to the time-resolved FSRS spectra of the cis-trans isomerization of retinal in rhodopsin [P. Kukura et al., Science 310, 1006 (2005)]. We obtain the vibrational

  8. Time-dependent wave packet averaged vibrational frequencies from femtosecond stimulated Raman spectra.

    PubMed

    Wu, Yue-Chao; Zhao, Bin; Lee, Soo-Y

    2016-02-07

    Femtosecond stimulated Raman spectroscopy (FSRS) on the Stokes side arises from a third order polarization, P(3)(t), which is given by an overlap of a first order wave packet, |Ψ2(1)(pu,t)>, prepared by a narrow band (ps) Raman pump pulse, Epu(t), on the upper electronic e2 potential energy surface (PES), with a second order wave packet, <Ψ1(2)(pr(∗),pu,t)|, that is prepared on the lower electronic e1 PES by a broadband (fs) probe pulse, Epr(t), acting on the first-order wave packet. In off-resonant |FSRS, Ψ2(1)(pu,t)> resembles the zeroth order wave packet |Ψ1(0)(t)> on the lower PES spatially, but with a force on |Ψ2(1)(pu,t)> along the coordinates of the reporter modes due to displacements in the equilibrium position, so that <Ψ1(2)(pr(∗),pu,t)| will oscillate along those coordinates thus giving rise to similar oscillations in P(3)(t) with the frequencies of the reporter modes. So, by recovering P(3)(t) from the FSRS spectrum, we are able to deduce information on the time-dependent quantum-mechanical wave packet averaged frequencies, ω̄j(t), of the reporter modes j along the trajectory of |Ψ1 (0)(t)>. The observable FSRS Raman gain is related to the imaginary part of P(3)(ω). The imaginary and real parts of P(3)(ω) are related by the Kramers-Kronig relation. Hence, from the FSRS Raman gain, we can obtain the complex P(3)(ω), whose Fourier transform then gives us the complex P(3)(t) to analyze for ω̄j(t). We apply the theory, first, to a two-dimensional model system with one conformational mode of low frequency and one reporter vibrational mode of higher frequency with good results, and then we apply it to the time-resolved FSRS spectra of the cis-trans isomerization of retinal in rhodopsin [P. Kukura et al., Science 310, 1006 (2005)]. We obtain the vibrational frequency up-shift time constants for the C12-H wagging mode at 216 fs and for the C10-H wagging mode at 161 fs which are larger than for the C11-H wagging mode at 127 fs, i.e., the C11-H

  9. Vibration signal analysis using parameterized time-frequency method for features extraction of varying-speed rotary machinery

    NASA Astrophysics Data System (ADS)

    Yang, Y.; Dong, X. J.; Peng, Z. K.; Zhang, W. M.; Meng, G.

    2015-01-01

    In real application, when rotary machinery frequently involves variable-speed, unsteady load and defect, it will produce non-stationary vibration signal. Such signal can be characterized by mono- or multi-component frequency modulation (FM) and its internal instantaneous patterns are closely related to operation condition of the rotary machinery. For example, instantaneous frequency (IF) and instantaneous amplitude (IA) of a non-stationary signal are two important time-frequency features to be inspected. For vibration signal analysis of the rotary machinery, time-frequency analysis (TFA), known for analyzing the signal in the time and frequency domain simultaneously, has been accepted as a key signal processing tool. Particularly, parameterized TFA, among various TFAs, has shown great potential to investigate time-frequency features of non-stationary signals. It attracts more attention for improving time-frequency representation (TFR) with signal-dependent transform parameters. However, the parameter estimation and component separation are two problems to tackle with while using the parameterized TFA to extract time-frequency features from non-stationary vibration signal of varying-speed rotary machinery. In this paper, we propose a procedure for the parameterized TFA to analyze the non-stationary vibration signal of varying-speed rotary machinery. It basically includes four steps: initialization, estimation of transform parameter, component separation and parameterized TFA, as well as feature extraction. To demonstrate the effectiveness of the proposed method in analyzing mono- and multi-component signals, it is first used to analyze the vibration response of a laboratory rotor during a speed-up and run-down process, and then extract the instantaneous time-frequency signatures of a hydro-turbine rotor in a hydroelectric power station during a shut-down stage. In addition, the results are compared with several traditional TFAs and the proposed method outperforms

  10. A systematic theoretical study of harmonic vibrational frequencies: The ammonium ion NH4+ and other simple molecules

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Yukio; Schaefer, Henry F.

    1980-09-01

    Analytic gradient techniques have been used to predict the harmonic vibrational frequencies of HCN, H2CO, H2O, CH4 and NH4+ at several levels of molecular electronic structure theory. Basis sets of double zeta, double zeta plus polarization, and extended plus polarization quality have been used in conjunction with self-consistent-field and configuration interaction methods. For the four spectroscopically characterized molecules, comparison with theory is particularly appropriate because experimental harmonic frequencies are available. For the 16 vibrational frequencies thus considered, the DZ SCF level of theory yields average errors of 166 cm-1 or 8.0%. The DZ+P SCF results are of comparable accuracy, differing on the average from experiment by 176 cm-1 or 8.3%. With the extended basis set, the comparable SCF frequency errors are only slightly less. The explicit incorporation of correlation effects qualitatively improves the agreement between theoretical and experimental harmonic vibrational frequencies. The DZ CI frequencies differ on the average by only 44 cm-1 or 2.0%. Perhaps surprisingly, the use of larger basis sets in conjunction with CI including all singly and doubly excited configurations leads to larger average errors in the vibrational frequencies. For example, the DZ+P CI frequencies have average errors of 80 cm-1 or 3.5%. Thus it seems clear that higher excitations (probably unlinked clusters especially) have a significant effect (order of 50 cm-1) on the theoretical prediction of polyatomic vibrational frequencies. The apparent discrepancy between the theoretical and experimental equilibrium geometry of CH4 is resolved here, and shown to have been a simple consequence of basis set incompleteness. Finally, the gas phase NH4+ equilibrium bond distance is predicted to be 1.022 Å, or 0.01-0.02 Å shorter than found by Ibers and Stevenson for NH4+ in crystalline NH4Cl and NH4F.

  11. Detecting the classical harmonic vibrations of micro amplitudes and low frequencies with an atomic Mach-Zehnder interferometer

    NASA Astrophysics Data System (ADS)

    Huang, Yong-Yi

    2014-01-01

    We study the effects of atomic beams classical harmonic vibrations of micro amplitudes and low frequencies perpendicular to the wave vectors of atomic branches on the mean numbers of atoms arriving at the detectors in an atomic Mach-Zehnder interferometer, where the two atomic beams are in the same wave surface and have the same phase. We propose a vibrant factor to quantitatively describe the effects of atomic beams vibrations. It shows that: (i) the vibrant factor depends on the relative vibrant displacement and the initial phase rather than the absolute amplitude, (ii) the factor increases with the increase of the initial phase, and (iii) the frequencies can be derived from equal time interval measurements of the mean numbers of atoms arriving at the detectors. These results indicate that it is possible to detect the classical harmonic vibrations of micro amplitudes and low frequencies by measuring the variations in the mean numbers of atoms arriving at the detectors.

  12. Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts.

    PubMed

    Morales, Christine M; Thompson, Ward H

    2007-06-28

    A detailed analysis of the origins of vibrational frequency shifts of diatomic molecules (I2 and ICl) in a rare gas (Xe) liquid is presented. Specifically, vibrationally adiabatic mixed quantum-classical molecular dynamics simulations are used to obtain the instantaneous frequency shifts and correlate the shifts to solvent configurations. With this approach, important mechanistic questions are addressed, including the following: How many solvent atoms determine the frequency shift? What solvent atom configurations lead to blue shifts, and which lead to red shifts? What is the effect of solute asymmetry? The mechanistic analysis can be generally applied and should be useful in understanding what information is provided by infrared and Raman spectra about the environment of the probed vibrational mode.

  13. Vibrational spectroscopy at interfaces by IR-VIS sum-frequency generation using CLIO FEL

    SciTech Connect

    Peremans, A.; Tadjeddine, A.; Wan Quan, Z.

    1995-12-31

    IR-vis sum-frequency generation (SFG) has developed into a versatile technique for probing the vibrational structure of interfaces. To overcome the limited spectral range accessible by benchtop IR lasers, we have developed an SFG spectrometer that makes use of the broad band tuneable infrared beam provided by the CLIO-FEL. We will evaluate the gain in sensitivity of the FEL-SFG spectrometer in comparison to that of benchtop lasers, taking account of the surface damage by laser heating. Thereafter, we review the different research projects undertaken using this facility: (1) The interface selectivity of SFG makes it particularly suitable for probing buried liquid/solid interface. We took advantage of the spectrometer sensitivity to monitor the electrochemical deposition of hydrogen on platinum single crystals at under- and overpotential (2) Because of its sensitivity to the molecular symmetry, SFG allows probing the conformation of self assembled monolayers deposited on metals. We discuss SFG spectra of {omega}(4-nitroanilino)-dodecane adsorbed on polycrystalline gold and silver films; in the 1550 - 900 cm{sup -1} spectral range. (3) We have undertaken a spectroscopic approach for the investigation of polymer films adhesion on glass. Polyurethane/glass interface is investigated in the 2200 - 1600 cin{sup -1} spectral region. (4) The use of the CLIO FEL allows probing of the vibrational dynamics of the prominent IR active vibrations between 1500 and 500 cm{sup -1} of fullerene epitaxial films. These modes are modified upon charge transfer from the substrate to the C{sub 60} molecules. Preliminary SFG spectra of C{sub 60}/Ag interface are presented. (5) Site specific detection of CO adsorption and CO + O coadsorption on Pd(111) are studied.

  14. Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.

    1993-01-01

    The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbation estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10, 472 +/- 5, and 2051 +/- 10 cm(exp -1) for omega(sub 1), omega(sub 2), and omega(sub 3), respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental nu(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

  15. Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Dateo, Christopher E.; Gazdy, Bela; Bowman, Joel M.

    1993-01-01

    The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10,472 +/- 5, and 2051 +/-10/cm for omega1, omega2, and omega3, respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental v(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

  16. 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.

  17. Revealing structural properties of the marine nanolayer from vibrational sum frequency generation spectra

    NASA Astrophysics Data System (ADS)

    Laß, K.; Friedrichs, G.

    2011-08-01

    Natural nanolayers originating from sea surface and subsurface water samples collected in the Baltic Sea have been investigated using surface-sensitive vibrational sum frequency generation (VSFG) spectroscopy. Distinct spectral signatures of CH and OH bond stretch vibrations have been detected at wavenumbers ranging from 2700 to 3900 cm-1. Measured water-air interface spectra as well as observed signal intensity trends are discussed in terms of composition and structure of the natural organic nanolayer. Reasoning was based on the comparison with reference spectra, spectral trends inferred from previous VSFG studies, reported average composition of dissolved organic matter in seawater, and simplified assumption that surfactants can be classified as soluble (wet) and insoluble (dry) surfactants. Wet surfactants have been found to be dominant, and often lipid-like compounds form a very dense surfactant nanolayer. Supported by comparison spectra of xanthan gum solutions, the observed VSFG spectral signatures were tentatively assigned to lipopolysaccharides or other lipid-like compounds embedded in colloidal matrices of polymeric material. In addition, VSFG spectra of a polluted harbor water sample and a water sample covered with diesel oil are reported.

  18. The acute effects of different whole-body vibration amplitudes and frequencies on flexibility and vertical jumping performance.

    PubMed

    Gerodimos, Vassilis; Zafeiridis, Andreas; Karatrantou, Konstantina; Vasilopoulou, Theodora; Chanou, Konstantina; Pispirikou, Eleni

    2010-07-01

    Frequency and amplitude determine the training load of whole-body vibration (WBV) exercise and thereby possible neuromuscular adaptations. We investigated the effects of amplitude and frequency of a single bout of WBV on flexibility and squat jump performance (SJ) and the time-course of these effects. In the amplitude study, twenty-five females performed three vibration protocols (VPs) for 6 min at frequency of 25Hz and amplitudes of 4 mm, 6 mm, and 8 mm and one control protocol (CP). In the frequency study, eighteen females performed three VPs at 6mm amplitude and frequencies of 15 Hz, 20 Hz, and 30 Hz and one CP. Flexibility and SJ were measured before, immediately-post and 15 min recovery. All protocols were performed on a side-to-side alternating vibration plate. In the amplitude study, flexibility was improved (p<0.01) immediately-post in VP4, VP6, VP8 (31.8+/-8.2, 31.9+/-7.6, 31.5+/-7.9, respectively) and at 15 min recovery (31.6+/-8.1, 31.5+/-7.9, 31.0+/-8.2, respectively) vs. pre-vibration (30.2+/-8.6, 30.3+/-8.1, 30.2+/-8.3, respectively), but remained unchanged in CP (30.6+/-8.3 immediately-post, 30.7+/-8.2 at 15 min vs. 30.4+/-8.2 pre-vibration). In the frequency study, flexibility was improved (p<0.01) immediately-post in VP15, VP20, VP30 (31.5+/-5.2, 31.3+/-5, 31.7+/-5.3, respectively) and at 15 min recovery (31.3+/-5.4, 31.3+/-5.0, 31.3+/-5.3, respectively) vs. pre-vibration (30.6+/-5.4, 30.2+/-5.7, 30.3+/-5.9, respectively), but not in CP (30.7+/-5.1 immediately-post, 30.6+/-5 at 15 min vs. pre-vibration 30.5+/-5.7). There were no significant effects of amplitude or frequency on SJ. In conclusion, a single WBV bout using a side-to-side alternating vibration plate may increase flexibility which persists for at least 15 min, without altering jumping performance. These effects were observed irrespective of frequency and amplitude.

  19. Stability of high-frequency periodic motions of a heavy rigid body with a horizontally vibrating suspension point

    NASA Astrophysics Data System (ADS)

    Belichenko, M. V.

    2016-11-01

    The motion of a heavy rigid body one of whose points (the suspension point) executes horizontal harmonic high-frequency vibrations with small amplitude is considered. The problem of existence of high-frequency periodic motions with period equal to the period of the suspension point vibrations is considered. The stability conditions for the revealed motions are obtained in the linear approximation. The following three special cases of mass distribution in the body are considered; a body whose center of mass lies on the principal axis of inertia, a body whose center of mass lies in the principal plane of inertia, and a dynamically symmetric body.

  20. Note: A kinematic shaker system for high amplitude, low frequency vibration testing

    NASA Astrophysics Data System (ADS)

    Swaminathan, Anand; Poese, Matthew E.; Smith, Robert W. M.; Garrett, Steven L.

    2015-11-01

    This note describes a shaker system capable of high peak-velocity, large amplitude, low frequency, near-sinusoidal excitation that has been constructed and employed in experiments on the inhibition of Rayleigh-Bénard convection using acceleration modulation. The production of high peak-velocity vibration is of interest in parametric excitation problems of this type and reaches beyond the capabilities of standard electromagnetic shakers. The shaker system described employs a kinematic linkage to two counter-rotating flywheels, driven by a variable-speed electrical motor, producing peak-to-peak displacements of 15.24 cm to a platform mounted on two guide rails. In operation, this shaker has been demonstrated to produce peak speeds of up to 3.7 m/s without failure.

  1. Note: A kinematic shaker system for high amplitude, low frequency vibration testing.

    PubMed

    Swaminathan, Anand; Poese, Matthew E; Smith, Robert W M; Garrett, Steven L

    2015-11-01

    This note describes a shaker system capable of high peak-velocity, large amplitude, low frequency, near-sinusoidal excitation that has been constructed and employed in experiments on the inhibition of Rayleigh-Bénard convection using acceleration modulation. The production of high peak-velocity vibration is of interest in parametric excitation problems of this type and reaches beyond the capabilities of standard electromagnetic shakers. The shaker system described employs a kinematic linkage to two counter-rotating flywheels, driven by a variable-speed electrical motor, producing peak-to-peak displacements of 15.24 cm to a platform mounted on two guide rails. In operation, this shaker has been demonstrated to produce peak speeds of up to 3.7 m/s without failure.

  2. Mixed Polarization Vibrational Sum Frequency Generation Spectra of Organic Semiconducting Thin Films

    NASA Astrophysics Data System (ADS)

    Kearns, Patrick; Sohrabpour, Zahara; Massari, Aaron M.

    2014-06-01

    The buried interface of an organic semiconductor at the dielectric has a large on influence on the function of organic field effect transistors (OFETs). The use of vibrational sum frequency generation (VSFG) to obtain structural and orientational information on the buried interfaces of organic thin films has historically been complicated by the signals from other interfaces in the system. A thin film of N,N'-Dioctyl-3,4,9,10-perylenedicarboximide (PTCDI-C8) was deposited on a SiO2 dielectric to simulate the interfaces found in OFETs. We will show how probing the sample with a varying mixture of linear polarizations in the experimental setup can deconvolute contributions to the overall signal from multiple interfaces.

  3. 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

  4. Sum Frequency Generation Vibrational Spectroscopy of Pyridine Hydrogenation on Platinum Nanoparticles

    SciTech Connect

    Bratlie, Kaitlin M.; Komvopoulos, Kyriakos; Somorjai, Gabor A.

    2008-02-22

    Pyridine hydrogenation in the presence of a surface monolayer consisting of cubic Pt nanoparticles stabilized by tetradecyltrimethylammonium bromide (TTAB) was investigated by sum frequency generation (SFG) vibrational spectroscopy using total internal reflection (TIR) geometry. TIR-SFG spectra analysis revealed that a pyridinium cation (C{sub 5}H{sub 5}NH{sup +}) forms during pyridine hydrogenation on the Pt nanoparticle surface, and the NH group in the C{sub 5}H{sub 5}NH{sup +} cation becomes more hydrogen bound with the increase of the temperature. In addition, the surface coverage of the cation decreases with the increase of the temperature. An important contribution of this study is the in situ identification of reaction intermediates adsorbed on the Pt nanoparticle monolayer during pyridine hydrogenation.

  5. 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.

  6. A study of the eigenvectors of the low-frequency vibrational modes in crystalline adenosine via high pressure Raman spectroscopy.

    PubMed

    Lee, Scott A; Pinnick, David A; Anderson, A

    2014-12-01

    High-pressure Raman spectroscopy has been used to study the eigenvectors and eigenvalues of the vibrational modes of crystalline adenosine at 295 K by evaluating the logarithmic derivative of the vibrational frequency with respect to pressure: [Formula: see text]. Crystalline samples of molecular materials such as adenosine will 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 found to be a diagnostic probe of the nature of the eigenvector of the vibrational modes. Stretching modes which are predominantly internal to the molecule have low logarithmic derivatives while external modes have higher logarithmic derivatives. Particular interest is paid to the low-frequency (≤150 cm(-1)) modes. Based on the pressure dependence of its logarithmic derivative, a mode near 49 cm(-1) is identified as internal mode. The other modes below 400 cm(-1) have pressure dependences of their logarithmic derivatives consistent with being either (1) modes which are mainly external, meaning that the molecules of the unit cell vibrate against each other in translational or librational motions (or linear combinations thereof), or (2) torsional or bending modes involving a large number of atoms, mainly within a molecule. The modes above 400 cm(-1) all have pressure dependences of their logarithmic derivatives consistent with being mainly internal modes.

  7. 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

  8. First-principles investigation for M(CO)n/Ag(110) (M=Fe, Co, Ni, Cu, Zn, and Ag; n=1, 2) systems: Geometries, STM images, and vibrational frequencies

    NASA Astrophysics Data System (ADS)

    Yuan, Lan-Feng; Yang, Jinlong; Li, Qunxiang; Zhu, Qing-Shi

    2002-01-01

    Fe, Cu atoms and CO molecules were manipulated with a scanning tunneling microscope (STM) on a Ag(110) surface, and one or two CO can transfer from the surface and bond with a metal atom through the STM tip [H. J. Lee and W. Ho, Science 286, 1719 (1999); Phys. Rev. B 61, R16347 (2000)]. We perform a density-functional cluster model investigation for the systems. The experimental geometries are validated and understood using the frontier orbital theory. The STM topographic images are reproduced. The vibrational frequencies of the adsorbate systems are obtained by diagonalizing the second-derivative matrices and are in excellent agreement with the experimental measurements. The geometries and C-O stretch frequencies are predicted for systems with the adsorbate metal atom being Co, Ni, Zn, and Ag. These systems can be divided to two classes, and each class exhibits a different set of properties.

  9. 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.

  10. Influence of high-frequency vibrations on the onset of convection in a two-layer system

    NASA Astrophysics Data System (ADS)

    Zenkovskaya, Svetlana M.; Novosiadliy, Vasili A.

    2008-03-01

    This Note deals with the influence of high-frequency translational oscillations on the onset of convection in a two-layer system of weakly heterogeneous immiscible fluids with deformable interface. The averaging method is applied to the generalized Oberbeck-Boussinesq equations. Vibration-generated forces and tensions appear as the result. A transition to the Oberbeck-Boussinesq approximation is made in the averaged equations. Analysis of averaged equations leads to the following conclusions. Horizontal vibrations are obtained not influencing the onset of convection, and in the cases of other directions the influence of vibration is determined by a single parameter, depending on velocity amplitude and direction. Vibration is shown to generate effective surface tension, smoothing the interface. Critical parameters are calculated for the case of homogeneous fluids. To cite this article: S.M. Zenkovskaya, V.A. Novosiadliy, C. R. Mecanique 336 (2008).

  11. Accurate Lineshapes from Sub-1 cm-1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α-Pinene at Room Temperature

    SciTech Connect

    Mifflin, Amanda L.; Velarde Ruiz Esparza, Luis A.; Ho, Junming; Psciuk, Brian; Negre, Christian; Ebben, Carlena J.; Upshur, Mary Alice; Lu, Zhou; Strick, Benjamin; Thomson, Regan; Batista, Victor; Wang, Hongfei; Geiger, Franz M.

    2015-02-26

    Room temperature sub-wavenumber high-resolution broadband sum frequency generation (HR-BB-SFG) spectra of the common terpene (+)-α-pinene reveal ten peaks in the C–H stretching region. The spectral resolution exceeds that of Fourier transform infrared, femtosecond stimulated Raman, and traditional BB-SFG and scanning SFG spectroscopy of the same molecule. Experiment and simulation show the spectral lineshapes to be accurate. Homogeneous vibrational decoherence lifetimes of up to 1.7 psec are assigned to specific oscillators and compare favorably to lifetimes computed from density functional tight binding molecular dynamics calculations, while phase-resolved spectra yield orientation information for them. We propose the new spectroscopy as an attractive alternative to time-resolved vibrational spectroscopy or heterodyne-detection schemes for studying vibrational energy relaxation and vibrational coherences in molecules.

  12. Rovibrational Spectroscopic Constants and Fundamental Vibrational Frequencies for Isotopologues of Cyclic and Bent Singlet HC2N isomers

    NASA Technical Reports Server (NTRS)

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

    2013-01-01

    Through established, highly-accurate ab initio quartic force fields (QFFs), a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1(sup 1) 1A' and bent 2(sup 1)A' DCCN, H(C13)CCN, HC(C-13)N, and HCC(N-15) isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1 to 3.2 / cm range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly-dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X 3A0 HCCN.

  13. Rovibrational spectroscopic constants and fundamental vibrational frequencies for isotopologues of cyclic and bent singlet HC{sub 2}N isomers

    SciTech Connect

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

    2013-12-01

    Through established, highly accurate ab initio quartic force fields, a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1 {sup 1} A' and bent 2 {sup 1} A' DCCN, H{sup 13}CCN, HC{sup 13}CN, and HCC{sup 15}N isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good, with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1-3.2 cm{sup –1} range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X {sup 3} A' HCCN.

  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. Fin whale sound reception mechanisms: skull vibration enables low-frequency hearing.

    PubMed

    Cranford, Ted W; Krysl, Petr

    2015-01-01

    Hearing mechanisms in baleen whales (Mysticeti) are essentially unknown but their vocalization frequencies overlap with anthropogenic sound sources. Synthetic audiograms were generated for a fin whale by applying finite element modeling tools to X-ray computed tomography (CT) scans. We CT scanned the head of a small fin whale (Balaenoptera physalus) in a scanner designed for solid-fuel rocket motors. Our computer (finite element) modeling toolkit allowed us to visualize what occurs when sounds interact with the anatomic geometry of the whale's head. Simulations reveal two mechanisms that excite both bony ear complexes, (1) the skull-vibration enabled bone conduction mechanism and (2) a pressure mechanism transmitted through soft tissues. Bone conduction is the predominant mechanism. The mass density of the bony ear complexes and their firmly embedded attachments to the skull are universal across the Mysticeti, suggesting that sound reception mechanisms are similar in all baleen whales. Interactions between incident sound waves and the skull cause deformations that induce motion in each bony ear complex, resulting in best hearing sensitivity for low-frequency sounds. This predominant low-frequency sensitivity has significant implications for assessing mysticete exposure levels to anthropogenic sounds. The din of man-made ocean noise has increased steadily over the past half century. Our results provide valuable data for U.S. regulatory agencies and concerned large-scale industrial users of the ocean environment. This study transforms our understanding of baleen whale hearing and provides a means to predict auditory sensitivity across a broad spectrum of sound frequencies.

  16. Fin Whale Sound Reception Mechanisms: Skull Vibration Enables Low-Frequency Hearing

    PubMed Central

    Cranford, Ted W.; Krysl, Petr

    2015-01-01

    Hearing mechanisms in baleen whales (Mysticeti) are essentially unknown but their vocalization frequencies overlap with anthropogenic sound sources. Synthetic audiograms were generated for a fin whale by applying finite element modeling tools to X-ray computed tomography (CT) scans. We CT scanned the head of a small fin whale (Balaenoptera physalus) in a scanner designed for solid-fuel rocket motors. Our computer (finite element) modeling toolkit allowed us to visualize what occurs when sounds interact with the anatomic geometry of the whale’s head. Simulations reveal two mechanisms that excite both bony ear complexes, (1) the skull-vibration enabled bone conduction mechanism and (2) a pressure mechanism transmitted through soft tissues. Bone conduction is the predominant mechanism. The mass density of the bony ear complexes and their firmly embedded attachments to the skull are universal across the Mysticeti, suggesting that sound reception mechanisms are similar in all baleen whales. Interactions between incident sound waves and the skull cause deformations that induce motion in each bony ear complex, resulting in best hearing sensitivity for low-frequency sounds. This predominant low-frequency sensitivity has significant implications for assessing mysticete exposure levels to anthropogenic sounds. The din of man-made ocean noise has increased steadily over the past half century. Our results provide valuable data for U.S. regulatory agencies and concerned large-scale industrial users of the ocean environment. This study transforms our understanding of baleen whale hearing and provides a means to predict auditory sensitivity across a broad spectrum of sound frequencies. PMID:25633412

  17. Vibrational modes of hydraulic fractures: Inference of fracture geometry from resonant frequencies and attenuation

    NASA Astrophysics Data System (ADS)

    Lipovsky, Bradley P.; Dunham, Eric M.

    2015-02-01

    Oscillatory seismic signals arising from resonant vibrations of hydraulic fractures are observed in many geologic systems, including volcanoes, glaciers and ice sheets, and hydrocarbon and geothermal reservoirs. To better quantify the physical dimensions of fluid-filled cracks and properties of the fluids within them, we study wave motion along a thin hydraulic fracture waveguide. We present a linearized analysis, valid at wavelengths greater than the fracture aperture, that accounts for quasi-static elastic deformation of the fracture walls, as well as fluid viscosity, inertia, and compressibility. In the long-wavelength limit, anomalously dispersed guided waves known as crack or Krauklis waves propagate with restoring force from fracture wall elasticity. At shorter wavelengths, the waves become sound waves within the fluid channel. Wave attenuation in our model is due to fluid viscosity, rather than seismic radiation from crack tips or fracture wall roughness. We characterize viscous damping at both low frequencies, where the flow is always fully developed, and at high frequencies, where the flow has a nearly constant velocity profile away from viscous boundary layers near the fracture walls. Most observable seismic signals from resonating fractures likely arise in the boundary layer crack wave limit, where fluid-solid coupling is pronounced and attenuation is minimal. We present a method to estimate the aperture and length of a resonating hydraulic fracture using both the seismically observed quality factor and characteristic frequency. Finally, we develop scaling relations between seismic moment and characteristic frequency that might be useful when interpreting the statistics of hydraulic fracture events.

  18. Low Intensity, High Frequency Vibration Training to Improve Musculoskeletal Function in a Mouse Model of Duchenne Muscular Dystrophy

    PubMed Central

    Novotny, Susan A.; Mader, Tara L.; Greising, Angela G.; Lin, Angela S.; Guldberg, Robert E.; Warren, Gordon L.; Lowe, Dawn A.

    2014-01-01

    The objective of the study was to determine if low intensity, high frequency vibration training impacted the musculoskeletal system in a mouse model of Duchenne muscular dystrophy, relative to healthy mice. Three-week old wildtype (n = 26) and mdx mice (n = 22) were randomized to non-vibrated or vibrated (45 Hz and 0.6 g, 15 min/d, 5 d/wk) groups. In vivo and ex vivo contractile function of the anterior crural and extensor digitorum longus muscles, respectively, were assessed following 8 wks of vibration. Mdx mice were injected 5 and 1 days prior to sacrifice with Calcein and Xylenol, respectively. Muscles were prepared for histological and triglyceride analyses and subcutaneous and visceral fat pads were excised and weighed. Tibial bones were dissected and analyzed by micro-computed tomography for trabecular morphometry at the metaphysis, and cortical geometry and density at the mid-diaphysis. Three-point bending tests were used to assess cortical bone mechanical properties and a subset of tibiae was processed for dynamic histomorphometry. Vibration training for 8 wks did not alter trabecular morphometry, dynamic histomorphometry, cortical geometry, or mechanical properties (P≥0.34). Vibration did not alter any measure of muscle contractile function (P≥0.12); however the preservation of muscle function and morphology in mdx mice indicates vibration is not deleterious to muscle lacking dystrophin. Vibrated mice had smaller subcutaneous fat pads (P = 0.03) and higher intramuscular triglyceride concentrations (P = 0.03). These data suggest that vibration training at 45 Hz and 0.6 g did not significantly impact the tibial bone and the surrounding musculature, but may influence fat distribution in mice. PMID:25121503

  19. Low intensity, high frequency vibration training to improve musculoskeletal function in a mouse model of Duchenne muscular dystrophy.

    PubMed

    Novotny, Susan A; Mader, Tara L; Greising, Angela G; Lin, Angela S; Guldberg, Robert E; Warren, Gordon L; Lowe, Dawn A

    2014-01-01

    The objective of the study was to determine if low intensity, high frequency vibration training impacted the musculoskeletal system in a mouse model of Duchenne muscular dystrophy, relative to healthy mice. Three-week old wildtype (n = 26) and mdx mice (n = 22) were randomized to non-vibrated or vibrated (45 Hz and 0.6 g, 15 min/d, 5 d/wk) groups. In vivo and ex vivo contractile function of the anterior crural and extensor digitorum longus muscles, respectively, were assessed following 8 wks of vibration. Mdx mice were injected 5 and 1 days prior to sacrifice with Calcein and Xylenol, respectively. Muscles were prepared for histological and triglyceride analyses and subcutaneous and visceral fat pads were excised and weighed. Tibial bones were dissected and analyzed by micro-computed tomography for trabecular morphometry at the metaphysis, and cortical geometry and density at the mid-diaphysis. Three-point bending tests were used to assess cortical bone mechanical properties and a subset of tibiae was processed for dynamic histomorphometry. Vibration training for 8 wks did not alter trabecular morphometry, dynamic histomorphometry, cortical geometry, or mechanical properties (P ≥ 0.34). Vibration did not alter any measure of muscle contractile function (P ≥ 0.12); however the preservation of muscle function and morphology in mdx mice indicates vibration is not deleterious to muscle lacking dystrophin. Vibrated mice had smaller subcutaneous fat pads (P = 0.03) and higher intramuscular triglyceride concentrations (P = 0.03). These data suggest that vibration training at 45 Hz and 0.6 g did not significantly impact the tibial bone and the surrounding musculature, but may influence fat distribution in mice.

  20. 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)

  1. Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates

    SciTech Connect

    Miliordos, Evangelos; Xantheas, Sotiris S.

    2013-08-15

    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 number using double differentiation in Cartesian coordinates. For molecules of C1 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.

  2. DFT calculation of vibrational frequencies of clusters in GaAs and the Raman spectra

    NASA Astrophysics Data System (ADS)

    Radhika Devi, V.; Shrivastava, Keshav N.

    2012-09-01

    We have calculated the vibrational frequencies of clusters of Ga and As atoms from the first principles using the density-functional theory (DFT) method and the local-density approximation (LDA). We find that the calculated value of 286.2 cm-1 for a linear cluster of Ga2As2 is very near the experimental value of 292 ± 4 cm-1. The calculated value of 289.4 cm-1 for Ga2As6 (dumb bell) cluster is indeed very near the experimental value. There are strong phonon correlations so that the cluster frequency is within the dispersion relation of the crystal LO value. There is a weak line in the experimental Raman spectrum at 268 cm-1 which is very near the value of 267.3 cm-1 calculated for the Ga2As (triangular) cluster. The weak lines corresponding to the linear bonds provide the strength to the amorphous samples. There are clusters of atoms in the glassy state of GaAs.

  3. Efficient procedure for the numerical calculation of harmonic vibrational frequencies based on internal coordinates.

    PubMed

    Miliordos, Evangelos; Xantheas, Sotiris S

    2013-08-15

    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 number using double differentiation in Cartesian coordinates. For molecules of C1 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. In all cases the frequencies based on internal coordinates differ on average by <1 cm(-1) from those obtained from Cartesian coordinates.

  4. High-Frequency Vibration of the Organ of Corti in Vitro

    NASA Astrophysics Data System (ADS)

    Scherer, M. P.; Nowotny, M.; Dalhoff, E.; Zenner, H.-P.; Gummer, A. W.

    2003-02-01

    The mechanism by which the electromechanical force generated by the outer hair cells (OHC) produces the exquisite sensitivity, frequency selectivity and dynamic range of the cochlea is unknown. To address this question, we measured the electrically induced radial vibration pattern at different levels within the organ of Corti of the guinea pig. Two in vitro preparations were used: 1) a half turn including modiolar bone and cochlear partition, without tectorial membrane (TM); the basilar membrane (BM) was supported from its tympanal side. 2) A temporal bone preparation, where the bony wall was removed above and below the measurement location to permit introduction of electrodes. In the latter case, the cochlear partition was in its normal mechanical environment, with free swinging BM and with TM. Velocity of BM, reticular lamina (RL), and upper and lower sides of the TM in response to broadband electrical stimulation of the OHCs was measured with a laser Doppler vibrometer. The interferometer was sensitive enough to permit measurement without reflective beads or the like. The frequency range of the stimulation was 480 Hz - 70 kHz. Displacement amplitudes were constant up to 10 kHz, after which they dropped with -14 to -17 dB/oct. Moving across the RL in the radial direction, phase reversals characteristic of pivoting points occurred above the pillar cells and the outer tunnel. No phase reversals were observed on the BM and TM.

  5. Application of image analysis and time-frequency analysis for tracking the rotating blades vibration

    NASA Astrophysics Data System (ADS)

    Huang, Yu-Ting; Hsiung, Wan-Ying; Yang, Yuan-Shen; Loh, Chin-Hsiung

    2014-03-01

    The objective of this paper is to investigate the application of the photogrammetric approach to measuring the vibration of a research-scale wind turbine blade model (both damage and undamaged blade). In order to control the excitation (rotation of the wind turbine blade), a motor was used to spin the blades at controlled angular velocities. Two cameras are set in front of the turbine to tape the video images. Through a sequence of stereo image pairs acquired by high speed camera, the images are studied. The camera we used is the BASLER acA2000-340km (2048x1088, 340FPS). Before taking the photos camera calibration was conducted which include lens distortion and skew factor is examined. To analyze the displacement of the motion target on the turbine blade, after loading the 3D calibration, the 3D positions are calculated by using a stereo triangulation technique. Then the displacement fields by image template matching can be calculated. Application of the technique to track the 3D motion of the rotating wind turbine blade is demonstrated by using data from the research-scale wind turbine. Different from the image processing technique data from the contact sensors (accelerometers) is also used. Through Rodrigues' rotation formula to remove the rotation frequency it is easy to extract the out-of-plane motion of the blade, from which the model frequency of the blade can be identified.

  6. Phospholipid monolayers probed by vibrational sum frequency spectroscopy: instability of unsaturated phospholipids.

    PubMed

    Liljeblad, Jonathan F D; Bulone, Vincent; Tyrode, Eric; Rutland, Mark W; Johnson, C Magnus

    2010-05-19

    The surface specific technique vibrational sum frequency spectroscopy has been applied to in situ studies of the degradation of Langmuir monolayers of 1,2-diacyl-phosphocholines with various degrees of unsaturation in the aliphatic chains. To monitor the degradation of the phospholipids, the time-dependent change of the monolayer area at constant surface pressure and the sum frequency intensity of the vinyl CH stretch at the carbon-carbon double bonds were measured. The data show a rapid degradation of monolayers of phospholipids carrying unsaturated aliphatic chains compared to the stable lipids carrying fully saturated chains when exposed to the ambient laboratory air. In addition, the degradation of the phospholipids can be inhibited by purging the ambient air with nitrogen. This instability may be attributed to spontaneous degradation by oxidation mediated by various reactive species in the air. To further elucidate the process of lipid oxidation in biological membranes artificial Langmuir monolayers probed by a surface specific spectroscopic technique as in this study can serve as a model system for studying the degradation/oxidation of cell membrane constituents.

  7. Vibrational sum-frequency spectroscopy for trace chemical detection on surfaces at stand-off distances.

    PubMed

    Asher, William E; Willard-Schmoe, Ella

    2013-03-01

    Vibrational sum-frequency spectroscopy (VSFS) has been used for some time as a laboratory-based surface chemical analytical tool. Here, theoretical considerations in applying the method as a remote-sensing probe for detecting trace levels of chemicals adsorbed on surfaces are presented. Additionally, a VSFS instrument is configured to operate at a stand-off distance of 2.2 m using near-nadir incidence angles. This system was used to measure VSFS spectra for films of pure 1-amino-4-nitrobenzene (p-nitroaniline, PNA) and pure 2-hydroxy-1,3,5-trinitrobenzene (picric acid, PA) adsorbed on polished T-6061 aluminum alloy. These spectra are used to investigate the effect of optical polarization on the sum-frequency response of these compounds at nadir optical geometries. Detection limits for each compound are also estimated and found to be 0.51 μg cm(2) for PNA and 0.89 μg cm(2) for PA. The implications of these results regarding remote sensing applications of VSFS are discussed.

  8. The thermal effects on high-frequency vibration of beams using energy flow analysis

    NASA Astrophysics Data System (ADS)

    Zhang, Wenbo; Chen, Hualing; Zhu, Danhui; Kong, Xiangjie

    2014-04-01

    In this paper, the energy flow analysis (EFA) method is developed to predict the high-frequency response of beams in a thermal environment, which is a topic of concern in aerospace and automotive industries. The temperature load applied on the structures can generate thermal stresses and change material properties. The wavenumber and group velocity associated with the in-plane axial force arising from thermal stresses are included in the derivation of the governing energy equation, and the input power is obtained from the derived effective bending stiffness. In addition, effect of temperature-dependent material properties is considered in the EFA model. To verify the proposed formulation, numerical simulations are performed for a pinned-pinned beam in a uniform thermal environment. The EFA results are compared with the modal solutions for various frequencies and damping loss factors, and good correlations are observed. The results show that the spatial distributions and levels of energy density can be affected by the thermal effects, and the vibration response of beams increases with temperature.

  9. Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: methodology and diborane as a test case.

    PubMed

    Cammi, R; Cappelli, C; Mennucci, B; Tomasi, J

    2012-10-21

    We present a new quantum chemical method for the calculation of the equilibrium geometry and the harmonic vibrational frequencies of molecular systems in dense medium at high pressures (of the order of GPa). The new computational method, named PCM-XP, is based on the polarizable continuum model (PCM), amply used for the study of the solvent effects at standard condition of pressure, and it is accompanied by a new method of analysis for the interpretation of the mechanisms underpinning the effects of pressure on the molecular geometries and the harmonic vibrational frequencies. The PCM-XP has been applied at the density functional theory level to diborane as a molecular system under high pressure. The computed harmonic vibrational frequencies as a function of the pressure have shown a satisfactory agreement with the corresponding experimental results, and the parallel application of the method of analysis has reveled that the effects of the pressure on the equilibrium geometry can be interpreted in terms of direct effects on the electronic charge distribution of the molecular solutes, and that the effects on the harmonic vibrational frequencies can be described in terms of two physically distinct effects of the pressure (curvature and relaxation) on the potential energy for the motion of the nuclei.

  10. Strong frequency dependence of vibrational relaxation in bulk and surface water reveals sub-picosecond structural heterogeneity

    PubMed Central

    van der Post, Sietse T.; Hsieh, Cho-Shuen; Okuno, Masanari; Nagata, Yuki; Bakker, Huib J.; Bonn, Mischa; Hunger, Johannes

    2015-01-01

    Because of strong hydrogen bonding in liquid water, intermolecular interactions between water molecules are highly delocalized. Previous two-dimensional infrared spectroscopy experiments have indicated that this delocalization smears out the structural heterogeneity of neat H2O. Here we report on a systematic investigation of the ultrafast vibrational relaxation of bulk and interfacial water using time-resolved infrared and sum-frequency generation spectroscopies. These experiments reveal a remarkably strong dependence of the vibrational relaxation time on the frequency of the OH stretching vibration of liquid water in the bulk and at the air/water interface. For bulk water, the vibrational relaxation time increases continuously from 250 to 550 fs when the frequency is increased from 3,100 to 3,700 cm−1. For hydrogen-bonded water at the air/water interface, the frequency dependence is even stronger. These results directly demonstrate that liquid water possesses substantial structural heterogeneity, both in the bulk and at the surface. PMID:26382651

  11. A Frequency Model of Vibrational Processes in Gas-Turbine Drives of Compressor Stations of Main Gas Pipelines

    NASA Astrophysics Data System (ADS)

    Chekardovskiy, M. N.; Chekardovskiy, S. M.; Razboynikov, A. A.; Ponomareva, T. G.

    2016-10-01

    At compressor stations, systematic measurements of noise and vibration of power equipment - gas compressor units - are carried out. The article presents basic equations for calculating natural and forced frequencies at which the main defects appear. According to the studied dependences, results of calculations are obtained on the following types of drives for gas-compressor units GTK-10-4, Avon-1534, DG-90.

  12. [Influence of low-frequency magnetotherapy and HF-puncture on the heart rhythm in hypertensive workers exposed to vibration].

    PubMed

    Drobyshev, V A; Loseva, M I; Sukharevskaia, T M; Michurin, A I

    2001-01-01

    The authors present results concerning use of low-frequency magnetic fields and HF-therapy for correction of vegetative homeostasis in workers with variable length of service, exposed to vibration, having early forms of arterial hypertension. The most positive changes of vegetative status and central hemodynamics are seen in workers with low length of service.

  13. Interfacial Processes in Model Lithium Ion Systems Probed with Vibrational Sum Frequency Generation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nicolau, Bruno G.; Garcia Rey, Natalia; Dlott, Dana

    2014-06-01

    Vibrational sum frequency generation (SFG) spectroscopy was used to probe electrochemical processes taking place at the interface between metal anodes and the liquid phase in model lithium ion systems. Lithium ion batteries have been extensively studied and characterized by numerous techniques. However, the mechanisms behind many properties are still unclear due to the lack of techniques that can directly probe them in situ. The formation of the electrode passivating layer known as solid-electrolyte interphase (SEI) is one such example. During the first charging cycle of a battery, some of the electrolyte undergoes reduction at the electrode surface forming an electrically isolating barrier that prevents the subsequent reduction of more electrolyte molecules. The SFG selection rules suppress signals from molecules in centrosymmetric environments such as electrolyte layers, so SFG is a selective probe of interfacial environments such as the SEI. In this study, ethylene carbonate's (EC) response to potential cycling was observed. EC is commonly used as a high permittivity solvent in batteries and is widely believed to be the main component of the SEI in its reduced form, lithium ethylene dicarbonyl. EC's carbonyl stretch (1850 cm-1) was measured in conjunction with cyclic voltammetry experiments. The SFG intensity showed remarkable agreement with the changing potential, as seen in the figure below. The shoulders on each side of the peaks in (a) are especially interesting, as they correspond to the potentials where lithium metal is oxidized and reduced. Vibrational modes found at 1300-1400 cm-1, usually assigned to the reduced form of EC, are also being studied in order to provide more information on the nature of the SEI.

  14. Hydrogenation of the alpha,beta-Unsaturated Aldehydes Acrolein, Crotonaldehyde, and Prenal over Pt Single Crystals: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study

    SciTech Connect

    Kliewer, C.J.; Somorjai, G.A.

    2008-11-26

    Sum-frequency generation vibrational spectroscopy (SFG-VS) and kinetic measurements using gas chromatography have been used to study the surface reaction intermediates during the hydrogenation of three {alpha},{beta}-unsaturated aldehydes, acrolein, crotonaldehyde, and prenal, over Pt(111) at Torr pressures (1 Torr aldehyde, 100 Torr hydrogen) in the temperature range of 295K to 415K. SFG-VS data showed that acrolein has mixed adsorption species of {eta}{sub 2}-di-{sigma}(CC)-trans, {eta}{sub 2}-di-{sigma}(CC)-cis as well as highly coordinated {eta}{sub 3} or {eta}{sub 4} species. Crotonaldehyde adsorbed to Pt(111) as {eta}{sub 2} surface intermediates. SFG-VS during prenal hydrogenation also suggested the presence of the {eta}{sub 2} adsorption species, and became more highly coordinated as the temperature was raised to 415K, in agreement with its enhanced C=O hydrogenation. The effect of catalyst surface structure was clarified by carrying out the hydrogenation of crotonaldehyde over both Pt(111) and Pt(100) single crystals while acquiring the SFG-VS spectra in situ. Both the kinetics and SFG-VS showed little structure sensitivity. Pt(100) generated more decarbonylation 'cracking' product while Pt(111) had a higher selectivity for the formation of the desired unsaturated alcohol, crotylalcohol.

  15. Solvent-induced infrared frequency shifts in aromatic nitriles are quantitatively described by the vibrational Stark effect.

    PubMed

    Levinson, Nicholas M; Fried, Stephen D; Boxer, Steven G

    2012-09-06

    The physical properties of solvents strongly affect the spectra of dissolved solutes, and this phenomenon can be exploited to gain insight into the solvent-solute interaction. The large solvatochromic shifts observed for many dye molecules in polar solvents are due to variations in the solvent reaction field, and these shifts are widely used to estimate the change in the dye's dipole moment upon photoexcitation, which is typically on the order of ∼1-10 D. In contrast, the change in dipole moment for vibrational transitions is approximately 2 orders of magnitude smaller. Nonetheless, vibrational chromophores display significant solvatochromism, and the relative contributions of specific chemical interactions and electrostatic interactions are debated, complicating the interpretation of vibrational frequency shifts in complex systems such as proteins. Here we present a series of substituted benzonitriles that display widely varying degrees of vibrational solvatochromism. In most cases, this variation can be quantitatively described by the experimentally determined Stark tuning rate, coupled with a simple Onsager-like model of solvation, reinforcing the view that vibrational frequency shifts are largely caused by electrostatic interactions. In addition, we discuss specific cases where continuum solvation models fail to predict solvatochromic shifts, revealing the necessity for more advanced theoretical models that capture local aspects of solute-solvent interactions.

  16. Dictums for problem solving and approximation in mathematical acoustics: examples involving low-frequency vibration and radiation.

    PubMed

    Pierce, Allan D; Thiam, Amadou G

    2012-03-01

    A sequence of dictums for mathematical acoustics is given representing opinions intended to be regarded as authoritative, but not necessarily universally agreed upon. The dictums are presented in the context of the detailed solution for a class of problems involving the forced vibration of a long cylinder protruding half-way into a half-space bounded by a compliant surface (impedance boundary) characterized by a spring constant. One limiting case corresponds to a cylinder vibrating within an infinite rigid baffle, and another limiting case corresponds to a vibrating cylinder on the compliant surface of an incompressible fluid. The second limiting case is identified as analogous to that of a floating half-submerged cylinder whose vibrations cause water waves to propagate over the surface. Attention is focused on vibrations at very low frequencies. Difficulties with insuring a causal solution are pointed out and dictums are given as to how one overcomes such difficulties. Various approximation techniques are described. The derivations involve application of the theory of complex variables and the method of matched asymptotic expansions, and the results include the apparent entrained mass in the near field of the cylinder and the radiation resistance per unit length experienced by the vibrating cylinder.

  17. Two-dimensional concentrated-stress low-frequency piezoelectric vibration energy harvesters

    SciTech Connect

    Sharpes, Nathan; Abdelkefi, Abdessattar; Priya, Shashank

    2015-08-31

    Vibration-based energy harvesters using piezoelectric materials have long made use of the cantilever beam structure. Surmounting the deficiencies in one-dimensional cantilever-based energy harvesters has been a major focus in the literature. In this work, we demonstrate a strategy of using two-dimensional beam shapes to harvest energy from low frequency excitations. A characteristic Zigzag-shaped beam is created to compare against the two proposed two-dimensional beam shapes, all of which occupy a 25.4 × 25.4 mm{sup 2} area. In addition to maintaining the low-resonance bending frequency, the proposed beam shapes are designed with the goal of realizing a concentrated stress structure, whereby stress in the beam is concentrated in a single area where a piezoelectric layer may be placed, rather than being distributed throughout the beam. It is shown analytically, numerically, and experimentally that one of the proposed harvesters is able to provide significant increase in power production, when the base acceleration is set equal to 0.1 g, with only a minimal change in the resonant frequency compared to the current state-of-the-art Zigzag shape. This is accomplished by eliminating torsional effects, producing a more pure bending motion that is necessary for high electromechanical coupling. In addition, the proposed harvesters have a large effective beam tip whereby large tip mass may be placed while retaining a low-profile, resulting in a low volume harvester and subsequently large power density.

  18. [The effect of betahistine on histological changes in rabbit brain in model of whole body wide-frequency vibration].

    PubMed

    Shimkus, Iu Iu; Sapegin, I D

    2013-01-01

    In acute experiments in conscious rabbits was studied protective action of selective blocker of histamine H3-receptor betahistine (2mg/kg i/v) against histological changes in precentral and postcentral gyrus, as well as in temporal lobe of cerebral cortex, thalamus, hypothalamus, and cerebellum, arising in case of modeling of whole body wide-frequency vibration. Betahistine attenuates edematous and degenerative changes in neurons and reciprocal glial reaction, caused by vibration, but does not eliminate edema in perivascular spaces. This effect may be related to the improvement of blood supply as a result of of vasodilatory action and decrease of oxygen consumption via vestibuloprotective effect.

  19. 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.

  20. Time-frequency analysis of nonstationary vibration signals for deployable structures by using the constant-Q nonstationary gabor transform

    NASA Astrophysics Data System (ADS)

    Liu, Tao; Yan, Shaoze; Zhang, Wei

    2016-06-01

    Deployable structures have been widely used in on-orbit servicing spacecrafts, and the vibration properties of such structures have become increasingly important in the aerospace industry. The constant-Q nonstationary Gabor transform (CQ-NSGT) is introduced in this paper to accurately evaluate the variation in the frequency and amplitude of vibration signals along with time. First, an example signal is constructed on the basis of the vibration properties of deployable structures and is processed by the short-time Fourier transform, Wigner-Ville distribution, Hilbert-Huang transform, and CQ-NSGT. Results show that time and frequency resolutions are simultaneously fine only by employing CQ-NSGT. Subsequently, a zero padding operation is conducted to correct the calculation error at the end of the transform results. Finally, a set of experimental devices is constructed. The vibration signal of the experimental mode is processed by CQ-NSGT. On this basis, the experimental signal properties are discussed. This time-frequency method may be useful for formulating the dynamics for complex deployable structures.

  1. 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.

  2. A study on the relationship between subjective unpleasantness and body surface vibrations induced by high-level low-frequency pure tones.

    PubMed

    Takahashi, Yukio; Kanada, Kazuo; Yonekawa, Yoshiharu; Harada, Noriaki

    2005-07-01

    Human body surface vibrations induced by high-level low-frequency pure tones were measured at the chest and the abdomen. At the same time, the subject rated the unpleasantness that he had just perceived during the exposure to low-frequency noise stimulus. Examining the relationship between the measured vibration and the rating score of the unpleasantness revealed that the unpleasantness was in close correlation with the vibration acceleration level (VAL) of the vibration measured. Taking previous results into account, this finding suggests that noise-induced vibrations primarily induce vibratory sensations and through the vibratory sensation or together with some other factors, secondarily contribute to the unpleasantness. The present results suggest that in evaluating high-level low-frequency noise, the effect of vibration should be taken into account.

  3. Correlation of the bond-length change and vibrational frequency shift in model hydrogen-bonded complexes of pyrrole

    NASA Astrophysics Data System (ADS)

    McDowell, Sean A. C.

    2017-04-01

    An MP2 computational study of model hydrogen-bonded pyrrole⋯YZ (YZ = NH3, NCH, BF, CO, N2, OC, FB) complexes was undertaken in order to examine the variation of the Nsbnd H bond length change and its associated vibrational frequency shift. The chemical hardness of Y, as well as the YZ dipole moment, were found to be important parameters in modifying the bond length change/frequency shift. The basis set effect on the computed properties was also assessed. A perturbative model, which accurately reproduced the ab initio Nsbnd H bond length changes and frequency shifts, was useful in rationalizing the observed trends.

  4. Simulated vibrational sum frequency generation from a multilayer thin film system with two active interfaces.

    PubMed

    O'Brien, Daniel B; Massari, Aaron M

    2013-04-21

    In the field of surface-specific vibrational sum frequency generation spectroscopy (VSFG) on organic thin films, optical interferences combined with the two-interface problem presents a challenge in terms of qualitative assessment of the data and quantitative modeling. The difficulty is amplified when considering systems comprised of more than a single material thin film layer. Recently, in our lab we have developed a generalized model that describes thin film interference in interface-specific nonlinear optical spectroscopies from arbitrary multilayer systems. Here, we apply the model to simulate VSFG spectra from the simplest multilayer: a system of two thin films, one of which is an organic small molecule and the other is a dielectric layer on a semiconductor substrate system where we idealize that the organic interfaces are equally VSFG active. Specifically, we consider the molecule N,N'-dioctyl-3,4,9,10-perylenedicarboximide (PTCDI-C8) deposited on a silicon wafer with a thermally grown oxide dielectric. We present results for the four polarization experiments that sample the nonzero nonlinear susceptibility elements of macroscopically centrosymmetric materials (ssp, sps, pss, and ppp) and in two mIR frequency windows (the imide carbonyl stretches around 1680 cm(-1) and the alkyl stretches around 2900 cm(-1)) as a function of both thin film thicknesses with fixed input beam angles. We use frequency dependent refractive indices for all materials. The goal is to illustrate some of the intricacies contained in the intensity data of such systems. Of particular interest is the effect of the relative polar orientation of modes at the interfaces and the possibility of designing a system where the collected signal is exclusively attributable to a single interface. Our calculations indicate that in order to unambiguously identify the relative polar orientation one must experimentally vary an additional system parameter such as thin film thickness or input beam angle

  5. Drug-Membrane Interactions Studied by Vibrational Sum-Frequency Spectroscopy

    NASA Astrophysics Data System (ADS)

    Wolf, Lauren; Briggman, Kimberly

    2008-03-01

    The activity of a number of drugs depends directly on their interaction with cell membranes and, thus, an understanding of drug-membrane interactions is necessary for improving their pharmacological performance. Drug molecules can interact with membranes by directly binding to membrane-bound proteins or by intercalating into the lipid matrix itself, altering membrane properties such as fluidity, thickness, internal pressure, and phase transition temperature. Here, we focus on the effects of local anesthetics incorporated into the lipid matrix, studying the structural changes induced in supported lipid bilayers by vibrational sum-frequency spectroscopy (VSFS). We find that in addition to depressing the phase transition temperature of the lipid bilayers, most anesthetics also sharpen the gel to liquid- crystalline transition, suggesting an increase in membrane constituent cooperativity. This behavior contrasts the effects of cholesterol on lipid bilayers, which increases membrane rigidity and broadens the phase transition. The structure of the membrane-intercalated anesthetics themselves will also be discussed. This work demonstrates the potential of using supported lipid bilayers and surface-sensitive techniques for future pharmacological studies.

  6. Vibrational sum frequency spectroscopy of surfactants and phospholipid monolayers at liquid-liquid interfaces

    NASA Astrophysics Data System (ADS)

    Smiley, Beth L.; Walker, R. A.; Gragson, D. E.; Hannon, T. E.; Richmond, Geraldine L.

    1998-04-01

    Work from our laboratory on vibrational sum frequency spectroscopic investigations of molecular ordering at the carbon tetrachloride-water interface is reviewed. Simple charged surfactants adsorbed at the liquid-liquid interface are seen to induce alignment of interfacial water molecules to a degree which is dependent on the induced surface potential. Saturation of water molecule alignment occurs at a surfactant surface concentration corresponding to a calculated surface potential of approximately 160 mV. In complementary studies, the relative degree of hydrocarbon chain ordering within monolayers of symmetric phosphatidylcholines of different chain lengths is inferred by the relative signal contributions of the methyl and methylene symmetric stretch modes. The degree of hydrocarbon chain disorder observed depends strongly on the method of monolayer preparation. By one method, a decrease in hydrocarbon chain order is seen with increasing chain length. Another method of monolayer formation yielded very well ordered hydrocarbon chains for the longest chain phosphatidylcholine studied, and showed much greater disorder in shorter chain species which was comparable to the other preparation method. These studies are a foundation for further work with this technique geared towards understanding molecular-level structural features in membrane-like assemblies and surface biochemical interactions of relevance to biomedical research.

  7. Poisson ratio and excess low-frequency vibrational states in glasses.

    PubMed

    Duval, Eugène; Deschamps, Thierry; Saviot, Lucien

    2013-08-14

    In glass, starting from a dependence of the Angell's fragility on the Poisson ratio [V. N. Novikov and A. P. Sokolov, Nature 431, 961 (2004)], and a dependence of the Poisson ratio on the atomic packing density [G. N. Greaves, A. L. Greer, R. S. Lakes, and T. Rouxel, Nature Mater. 10, 823 (2011)], we propose that the heterogeneities are predominantly density fluctuations in strong glasses (lower Poisson ratio) and shear elasticity fluctuations in fragile glasses (higher Poisson ratio). Because the excess of low-frequency vibration modes in comparison with the Debye regime (boson peak) is strongly connected to these fluctuations, we propose that they are breathing-like (with change of volume) in strong glasses and shear-like (without change of volume) in fragile glasses. As a verification, it is confirmed that the excess modes in the strong silica glass are predominantly breathing-like. Moreover, it is shown that the excess breathing-like modes in a strong polymeric glass are replaced by shear-like modes under hydrostatic pressure as the glass becomes more compact.

  8. Mass properties calibration of the NASA Langley low frequency vibration test apparatus

    NASA Technical Reports Server (NTRS)

    Javeed, Mehzad; Russell, James W.

    1995-01-01

    This report presents a description and calibration results of the modified NASA Langley Low Frequency Vibration Test Apparatus. The description includes both the suspension system and the data acquisition system. The test apparatus consists of a 2 inch thick, 21 inch diameter aluminum plate that is suspended from an advanced suspension system using a 40 foot long cable system. The test apparatus employed three orthogonally aligned pairs of Sundstrand QA-700 servo accelerometers that can measure accelerations as low as 1 micro-g. The calibration involved deriving the mass and moments of inertia of the test platform from measured input forces and measured acceleration responses. The derived mass and moments were compared to test platform mass properties obtained initially from measurements with a special mass properties instrument. Results of the calibration tests showed that using the product of the test apparatus mass and the measured accelerations, the disturbance force at the center of gravity (CG) can be determined within 4 percent on all three axes. Similarly the disturbance moments about the X, Y, and Z axes can be determined within 5 percent by using the product of the measured moments of inertia and the angular accelerations about the X, Y, and Z axes.

  9. Theoretical vibrational sum-frequency generation spectroscopy of water near lipid and surfactant monolayer interfaces

    SciTech Connect

    Roy, S.; Gruenbaum, S. M.; Skinner, J. L.

    2014-11-14

    Understanding the structure of water near cell membranes is crucial for characterizing water-mediated events such as molecular transport. To obtain structural information of water near a membrane, it is useful to have a surface-selective technique that can probe only interfacial water molecules. One such technique is vibrational sum-frequency generation (VSFG) spectroscopy. As model systems for studying membrane headgroup/water interactions, in this paper we consider lipid and surfactant monolayers on water. We adopt a theoretical approach combining molecular dynamics simulations and phase-sensitive VSFG to investigate water structure near these interfaces. Our simulated spectra are in qualitative agreement with experiments and reveal orientational ordering of interfacial water molecules near cationic, anionic, and zwitterionic interfaces. OH bonds of water molecules point toward an anionic interface leading to a positive VSFG peak, whereas the water hydrogen atoms point away from a cationic interface leading to a negative VSFG peak. Coexistence of these two interfacial water species is observed near interfaces between water and mixtures of cationic and anionic lipids, as indicated by the presence of both negative and positive peaks in their VSFG spectra. In the case of a zwitterionic interface, OH orientation is toward the interface on the average, resulting in a positive VSFG peak.

  10. Empirical equations for the bond energies and vibrational frequencies at chemisorptive bonds on surfaces

    NASA Astrophysics Data System (ADS)

    Chang, Chin-An

    1982-09-01

    Empirical equations derived for bond energies and force constants of gaseous molecules are applied to chemisorptive bonds on surfaces. For two adsorbed atoms from the same family of the periodic table, A and B, the chemisorptive bond energies, E, to the same metal, M, can be approximated by EA-M/ EB-M ≈ ( EA 2/ EB 2) 1/2, where EA 2 and EB 2 are the bonds energies of diatomic molecules A 2 and B 2, respectively The corresponding vibrational frequencies, ν, can be approximated by ν 2A-M/ν 2B-M ≈ ( mB/ mA)( FA 2/ FB 2) 1/2 · mA and mB are the masses of atoms A and B, respectively; FA 2 and FB 2 are the force constants of molecules A 2 and B 2, respectively. These relations are applied to the chemisorption of halogens on metals and showed good agreement with experiment.

  11. Characterization of starch polymorphic structures using vibrational sum frequency generation spectroscopy.

    PubMed

    Kong, Lingyan; Lee, Christopher; Kim, Seong H; Ziegler, Gregory R

    2014-02-20

    The polymorphic structures of starch were characterized with vibrational sum frequency generation (SFG) spectroscopy. The noncentrosymmetry requirement of SFG spectroscopy allows for the detection of the ordered domains without spectral interferences from the amorphous phase and also the distinction of the symmetric elements among crystalline polymorphs. The V-type amylose was SFG-inactive due to the antiparallel packing of single helices in crystal unit cells, whereas the A- and B-type starches showed strong SFG peaks at 2904 cm(-1) and 2952-2968 cm(-1), which were assigned to CH stretching of the axial methine group in the ring and CH2 stretching of the exocyclic CH2OH side group, respectively. The CH2/CH intensity ratios of the A- and B-type starches are significantly different, indicating that the conformation of hydroxymethyl groups in these two polymorphs may be different. Cyclodextrin inclusion complexes were also analyzed as a comparison to the V-type amylose and showed that the head-to-tail and head-to-head stacking patterns of cyclodextrin molecules govern their SFG signals and peak positions. Although the molecular packing is different between V-type amylose and cyclodextrin inclusion complexes, both crystals show the annihilation of SFG signals when the functional group dipoles are arranged pointing in opposite directions.

  12. Phase reference in phase-sensitive sum-frequency vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Sun, Shumei; Liang, Rongda; Xu, Xiaofan; Zhu, Heyuan; Shen, Y. Ron; Tian, Chuanshan

    2016-06-01

    Phase-sensitive sum-frequency vibrational spectroscopy (PS-SFVS) has been established as a powerful technique for surface characterization, but for it to generate a reliable spectrum, accurate phase measurement with a well-defined phase reference is most important. Incorrect phase measurement can lead to significant distortion of a spectrum, as recently seen in the case for the air/water interface. In this work, we show theoretically and experimentally that a transparent, highly nonlinear crystal, such as quartz and barium borate, can be a good phase reference if the surface is clean and unstrained and the crystal is properly oriented to yield a strong SF output. In such cases, the reflected SF signal is dominated by the bulk electric dipole contribution and its phase is either +90° or -90°. On the other hand, materials with inversion symmetry, such as water, fused quartz, and CaF2 are not good phase references due to the quadrupole contribution and phase dispersion at the interface. Using a proper phase reference in PS-SFVS, we have found the most reliable OH stretching spectrum for the air/water interface. The positive band at low frequencies in the imaginary component of the spectrum, which has garnered much interest and been interpreted by many to be due to strongly hydrogen-bonded water species, is no longer present. A weak positive feature however still exists. Its magnitude approximately equals to that of air/D2O away from resonances, suggesting that this positive feature is unrelated to surface resonance of water.

  13. Cardiac reflections and natural vibrations: Force-frequency relation recording system in the stress echo lab

    PubMed Central

    Bombardini, Tonino; Gemignani, Vincenzo; Bianchini, Elisabetta; Venneri, Lucia; Petersen, Christina; Pasanisi, Emilio; Pratali, Lorenza; Pianelli, Mascia; Faita, Francesco; Giannoni, Massimo; Picano, Eugenio

    2007-01-01

    Background The inherent ability of ventricular myocardium to increase its force of contraction in response to an increase in contraction frequency is known as the cardiac force-frequency relation (FFR). This relation can be easily obtained in the stress echo lab, where the force is computed as the systolic pressure/end-systolic volume index ratio, and measured for increasing heart rates during stress. Ideally, the noninvasive, imaging independent, objective assessment of FFR would greatly enhance its practical appeal. Objectives 1 – To evaluate the feasibility of the cardiac force measurement by a precordial cutaneous sensor. 2 – To build the curve of force variation as a function of the heart rate. 3 – To compare the standard stress echo results vs. this sensor operator-independent built FFR. Methods The transcutaneous force sensor was positioned in the precordial region in 88 consecutive patients referred for exercise, dipyridamole, or pacing stress. The force was measured as the myocardial vibrations amplitude in the isovolumic contraction period. FFR was computed as the curve of force variation as a function of heart rate. Standard echocardiographic FFR measurements were performed. Results A consistent FFR was obtained in all patients. Both the sensor built and the echo built FFR identifiy pts with normal or abnormal contractile reserve. The best cut-off value of the sensor built FFR was 15.5 g * 10-3 (Sensitivity = 0.85, Specificity = 0.77). Sensor built FFR slope and shape mirror pressure/volume relation during stress. This approach is extendable to daily physiological exercise and could be potentially attractive in home monitoring systems. PMID:18031588

  14. Improvement of vibration energy harvesters through a two-stage design: power production at single frequency excitation.

    PubMed

    Fernando, Joseph S; Sun, Qiao

    2013-11-01

    A vibration harvester is usually designed to work in resonance responding to source vibration. Many existing types of harvesters use a single mechanical resonator to amplify the excitation vibrations. However, these harvesters are inherently limited in the amount of power that they can produce, due to their design, particularly in the limited number of design parameters. In our study, we propose a two-stage design to improve a harvester's performance both in power production and in bandwidth widening. In this paper, we demonstrate that a two-stage design can increase the power production when the device is intended to operate under a single frequency excitation. Harvester parameters are optimized to provide maximum power production. Power production comparisons between single-stage and two-stage harvesters are made through numerical simulation and experiments.

  15. Research on vibration response of a multi-faulted rotor system using LMD-based time-frequency representation

    NASA Astrophysics Data System (ADS)

    Jiao, Weidong; Qian, Suxiang; Chang, Yongping; Yang, Shixi

    2012-12-01

    Unbalance, fatigue crack and rotor-stator rub are the three common and important faults in a rotor-bearing system. They are originally interconnected each other, and their vibration behaviors do often show strong nonlinear and transient characteristic, especially when more than one of them coexist in the system. This article is aimed to study the vibration response of the rotor system in presence of multiple rotor faults such as unbalance, crack, and rotor-stator rub, using local mean decomposition-based time-frequency representation. Equations of motion of the multi-faulted Jeffcott rotor, including unbalance, crack, and rub, are presented. By solving the motion equations, steady-state vibration response is obtained in presence of multiple rotor faults. As a comparison, Hilbert-Huang transformation, based on empirical mode decomposition, is also applied to analyze the multi-faults data. By the study some diagnostic recommendations are derived.

  16. Vibration-induced drop atomization and the numerical simulation of low-frequency single-droplet ejection

    NASA Astrophysics Data System (ADS)

    James, Ashley J.; Smith, Marc K.; Glezer, Ari

    2003-02-01

    Vibration-induced droplet ejection is a novel way to create a spray. In this method, a liquid drop is placed on a vertically vibrating solid surface. The vibration leads to the formation of waves on the free surface. Secondary droplets break off from the wave crests when the forcing amplitude is above a critical value. When the forcing frequency is small, only low-order axisymmetric wave modes are excited, and a single secondary droplet is ejected from the tip of the primary drop. When the forcing frequency is high, many high-order non-axisymmetric modes are excited, the motion is chaotic, and numerous small secondary droplets are ejected simultaneously from across the surface of the primary drop. In both frequency regimes a crater may form that collapses to create a liquid spike from which droplet ejection occurs. An axisymmetric, incompressible, Navier Stokes solver was developed to simulate the low-frequency ejection process. A volume-of-fluid method was used to track the free surface, with surface tension incorporated using the continuum-surface-force method. A time sequence of the simulated interface shape compared favourably with an experimental sequence. The dynamics of the droplet ejection process was investigated, and the conditions under which ejection occurs and the effect of the system parameters on the process were determined.

  17. Layer-number dependent high-frequency vibration modes in few-layer transition metal dichalcogenides induced by interlayer couplings

    NASA Astrophysics Data System (ADS)

    Tan, Qing-Hai; Zhang, Xin; Luo, Xiang-Dong; Zhang, Jun; Tan, Ping-Heng

    2017-03-01

    Two-dimensional transition metal dichalcogenides (TMDs) have attracted extensive attention due to their many novel properties. The atoms within each layer in two-dimensional TMDs are joined together by covalent bonds, while van der Waals interactions combine the layers together. This makes its lattice dynamics layer-number dependent. The evolutions of ultralow frequency (< 50 cm‑1) modes, such as shear and layer-breathing modes have been well-established. Here, we review the layer-number dependent high-frequency (> 50 cm‑1) vibration modes in few-layer TMDs and demonstrate how the interlayer coupling leads to the splitting of high-frequency vibration modes, known as Davydov splitting. Such Davydov splitting can be well described by a van der Waals model, which directly links the splitting with the interlayer coupling. Our review expands the understanding on the effect of interlayer coupling on the high-frequency vibration modes in TMDs and other two-dimensional materials. Project supported by the National Basic Research Program of China (No. 2016YFA0301200), the National Natural Science Foundation of China (Nos. 11225421, 11474277, 11434010, 61474067, 11604326, 11574305 and 51527901), and the National Young 1000 Talent Plan of China.

  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. Probing water and biomolecules at the air-water interface with a broad bandwidth vibrational sum frequency generation spectrometer from 3800 to 900 cm(-1).

    PubMed

    Ma, Gang; Liu, Jian; Fu, Li; Yan, Elsa C Y

    2009-05-01

    We have built a broad bandwidth vibrational sum frequency generation (VSFG) spectrometer that can provide high-quality spectra over the range of 3800 to 900 cm(-1). The spectrometer contains a commercial Ti:sapphire based 6 W regenerative amplifier as the master light source, a home-built pulse shaper to produce a narrow bandwidth 800 nm beam, a commercial optical parametric amplifier to generate a broad bandwidth femtosecond infrared (IR) pulse, and a detection system with a monochromator and a charge-coupled device (CCD). We applied this spectrometer to obtain VSFG spectra of a lipid monolayer at the air-water interface in the O-H stretching region (3800-3000 cm(-1)), the C-H stretching region (3100-2700 cm(-1)), the C-D stretching region (2300-2000 cm(-1)), the C=O stretching region (1800-1700 cm(-1)), and the PO(2)(-) symmetric stretching region (1200-1000 cm(-1)). We also obtained the VSFG spectrum of neat water in the O-H stretching region (3800-3000 cm(-1)) and the VSFG spectrum of a protein, alpha-synuclein, in the amide I region (1700-1600 cm(-1)) at the air-water interface. The spectrometer can provide a VSFG spectrum in the O-H stretching region (3800-3000 cm(-1)) without scanning the IR frequency. This feature will be useful in probing water dynamics at interfaces because the free OH and H-bonded OH can be investigated simultaneously. We have also provided instrumental details and discussed further improvements that should be beneficial to other researchers interested in setting up VSFG instrumentation.

  20. 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.

  1. 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.

  2. An approach for modeling the influence of wheel tractor loads and vibration frequencies on soil compaction

    NASA Astrophysics Data System (ADS)

    Verotti, M.; Servadio, P.; Belfiore, N. P.; Bergonzoli, S.

    2012-04-01

    -soil-man interaction. In particular, a model based on elasto-visco-plastic concentrated parameters, with multiple degrees of freedom, will be used in order to build a method for detecting a soil damage index, especially expressed in terms of increasing of soil compaction. Besides the axle load, the model will take into account the frequency of the vibrations that the vehicle is transmitting to the soil. Such model expresses a numerical value for the transmissibility coefficient and also allows evaluating the damage at the surface and on the bulk medium where the agricultural crops initially develop. Key words: vehicle-soil interaction, vibration, compaction, models. Acknowledgements This work was carried out under the auspices of the special project "Sceneries of adaptation of the Italian agriculture to the climatic changes" (AGROSCENARI) of the Agricultural Research Council, and Italian Ministry of the Agricultural and Forestry Politics.

  3. Therapeutic impact of low amplitude high frequency whole body vibrations on the osteogenesis imperfecta mouse bone.

    PubMed

    Vanleene, Maximilien; Shefelbine, Sandra J

    2013-04-01

    Osteogenesis imperfecta (OI) is characterized by extremely brittle bone. Currently, bisphosphonate drugs allow a decrease of fracture by inhibiting bone resorption and increasing bone mass but with possible long term side effects. Whole body mechanical vibrations (WBV) treatment may offer a promising route to stimulate bone formation in OI patients as it has exhibited health benefits on both muscle and bone mass in human and animal models. The present study has investigated the effects of WBV (45Hz, 0.3g, 15minutes/days, 5days/week) in young OI (oim) and wild type female mice from 3 to 8weeks of age. Vibration therapy resulted in a significant increase in the cortical bone area and cortical thickness in the femur and tibia diaphysis of both vibrated oim and wild type mice compared to sham controls. Trabecular bone was not affected by vibration in the wild type mice; vibrated oim mice, however, exhibited significantly higher trabecular bone volume fraction in the proximal tibia. Femoral stiffness and yield load in three point bending were greater in the vibrated wild type mice than in sham controls, most likely attributed to the increase in femur cortical cross sectional area observed in the μCT morphology analyses. The vibrated oim mice showed a trend toward improved mechanical properties, but bending data had large standard deviations and there was no significant difference between vibrated and non-vibrated oim mice. No significant difference of the bone apposition was observed in the tibial metaphyseal trabecular bone for both the oim and wild type vibrated mice by histomorphometry analyses of calcein labels. At the mid diaphysis, the cortical bone apposition was not significantly influenced by the WBV treatment in both the endosteum and periosteum of the oim vibrated mice while a significant change is observed in the endosteum of the vibrated wild type mice. As only a weak impact in bone apposition between the vibrated and sham groups is observed in the

  4. Spectroscopic characterization and constitutional and rotational isomerism of ClC(O)SCN and ClC(O)NCS.

    PubMed

    Ramos, Luis A; Ulic, Sonia E; Romano, Rosana M; Erben, Mauricio F; Vishnevskiy, Yury V; Reuter, Christian G; Mitzel, Norbert W; Beckers, Helmut; Willner, Helge; Zeng, Xiaoqing; Bernhardt, Eduard; Ge, Maofa; Tong, ShengRui; Della Védova, Carlos O

    2013-03-21

    Chlorocarbonylthio- and isothiocyanate (ClC(O)SCN and ClC(O)NCS) have been isolated and characterized by IR (Ar matrix, gas), Raman (liquid), (13)C NMR and UV-visible spectroscopies. Vibrational and quantum chemical studies suggest the presence of the syn and anti conformers (SCN group with respect to the C═O bond) in the gas phase for both constitutional isomers. syn-ClC(O)SCN is preferred by ΔH° (anti/syn) = 1.3(0.3) kcal mol(-1). The solid-state structure of ClC(O)SCN has been determined by single crystal X-ray diffraction analysis at low temperature. The crystalline solid consists exclusively of molecules in the syn conformation. On the other hand, the anti form is more stable for the ClC(O)NCS isomer. The structure of ClC(O)NCS and its conformational composition were determined by gas electron diffraction. An unusual low syn → anti interconversion energy barrier of 0.98 (0.15) kcal mol(-1) was detected for ClC(O)NCS at cryogenic temperatures. The photochemistry of both constitutional isomers isolated in solid argon at 15 K was studied. Rearrangement of ClC(O)SCN to ClC(O)NCS was observed in the neat liquid and under UV-vis irradiation of ClC(O)SCN isolated in solid argon. Properties have been discussed in terms of the valence electronic structure, including the analysis of the He(I) photoelectron spectrum of ClC(O)SCN.

  5. Control of the low-frequency vibrations of elastic metamaterial shafts with discretized arc-rubber layers

    NASA Astrophysics Data System (ADS)

    Lixia, Li; Anjiang, Cai

    2016-06-01

    We propose a new kind of elastic metamaterial (EM) shaft with discretized arc-shaped rubber layers, which shows excellent low-frequency vibration properties. The band gaps of the shaft structure were analyzed by employing the finite element method. The proposed EM shaft exhibits much lower band gaps than the corresponding structures with the whole rubber ring. Furthermore, the band gaps can be modulated by tuning the arc angle and the number of the arc-shaped rubbers. Additionally, we observed that the first complete band gap tends to disappear when the arc angle of each arc-shaped rubber section is decreased but the arc number remains fixed because the arc angle more strongly affects the rotational stiffness than the transverse stiffness of the rubber layers. This new type of EM shafts could find potential application as a means to control the low-frequency vibrations of rotor shafts in mechanical engineering.

  6. 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.

  7. On-the-fly ab intito calculations of anharmonic vibrational frequencies: Local-monomer theory and application to HCl clusters

    NASA Astrophysics Data System (ADS)

    Mancini, John S.; Bowman, Joel M.

    2013-10-01

    We present an on-the-fly quantum mechanical method to obtain anharmonic vibrational frequencies for molecular clusters. The basis for the method is the local-monomer model, a "divide and conquer" approach to theoretical spectroscopy, previously applied using full-dimensional surfaces [Y. Wang and J. M. Bowman, J. Chem. Phys. 134, 154510 (2011)]. The model consists of performing a local normal-mode analysis for each monomer in a cluster in the field of the surrounding monomers. Anharmonic vibrational frequencies are then determined for each monomer by numerically solving the Schrödinger equation in terms of the local coordinates using ab initio energies obtained directly. Residual monomer-monomer coupling is accounted for using the Hückel-coupling extension [Y. Wang and J. M. Bowman, J. Chem. Phys. 136, 144113 (2012)]. In addition to the direct local-monomer approach, we propose and demonstrate a composite ab initio technique to reduce computational costs for calculating the anharmonic frequencies of large clusters. This technique utilizes two ab initio methods, a lower level of theory to compute geometries and perform harmonic analyses and a subsequent higher level of theory to compute the energies used in the anharmonic frequency calculations. We demonstrate the on-the-fly approach on hydrogen chloride clusters ranging in size from the dimer to the hexamer. Comparisons of the theoretical frequencies are made to previous experiments. We find the method to be an effective and computationally efficient approach to compute anharmonic frequencies.

  8. Effect of Vibration Frequency on Serratus Anterior Muscle Activity during Performance of the Push-up Plus with a Redcord Sling.

    PubMed

    Kim, Eui-Ryong; Oh, Jae-Seop; Yoo, Won-Gyu

    2014-08-01

    [Purpose] We investigated the effect of vibration at various frequencies on serratus anterior (SA) muscle activity. [Subjects] Ten male subjects were recruited. [Methods] The subjects performed the push-up plus exercise supported by straps above the surface and vertical ropes in the Redcord sling. During the push-up plus, vibrations of 0, 30, 50, or 90 Hz were applied to the Redcord sling using a mechanical vibration apparatus attached to the rope. SA muscle activity was recorded using electromyography. [Results] SA muscle activity at the 50 Hz vibration frequency was significantly higher than that of no vibration. [Conclusion] Performing the push-up plus using a Redcord sling with mechanical vibration of 50 Hz effectively increased SA muscle activity.

  9. A hybrid wave propagation and statistical energy analysis on the mid-frequency vibration of built-up plate systems

    NASA Astrophysics Data System (ADS)

    Ma, Yongbin; Zhang, Yahui; Kennedy, David

    2015-09-01

    Based on the concept of the hybrid finite element (FE) analysis and statistical energy analysis (SEA), a new hybrid method is developed for the mid-frequency vibration of a system comprising rectangular thin plates. The wave propagation method based on symplectic analysis is used to describe the vibration of the deterministic plate component. By enforcing the displacement continuity and equilibrium of force at the connection interface, the dynamic coupling between the deterministic plate component and the statistical plate component described by SEA is established. Furthermore, the hybrid solution formulation for the mid-frequency vibration of the system built up by plates is proposed. The symplectic analytical wave describing the deterministic plate component eliminates the boundary condition limitation of the traditional analytical wave propagation method and overcomes the numerical instability of numerical wave propagation methods. Numerical examples compare results from the proposed method with those from the hybrid FE-SEA method and the Monte Carlo method. The comparison illustrates that the proposed method gives good predictions for the mid-frequency behavior of the system considered here with low computational time. In addition, a constant proportionality coefficient between the system coupling power and the energy difference between the plate components can be found, when external forces are applied at different locations on a line perpendicular to the wave propagation direction. Based on this finding, two fast solution techniques are developed for the energy response of the system, and are validated by numerical examples.

  10. A non-resonant, frequency up-converted electromagnetic energy harvester from human-body-induced vibration for hand-held smart system applications

    NASA Astrophysics Data System (ADS)

    Halim, Miah A.; Park, Jae Y.

    2014-03-01

    We present a non-resonant, frequency up-converted electromagnetic energy harvester that generates significant power from human-body-induced vibration, e.g., hand-shaking. Upon excitation, a freely movable non-magnetic ball within a cylinder periodically hits two magnets suspended on two helical compression springs located at either ends of the cylinder, allowing those to vibrate with higher frequencies. The device parameters have been designed based on the characteristics of human hand-shaking vibration. A prototype has been developed and tested both by vibration exciter (for non-resonance test) and by manual hand-shaking. The fabricated device generated 110 μW average power with 15.4 μW cm-3 average power density, while the energy harvester was mounted on a smart phone and was hand-shaken, indicating its ability in powering portable hand-held smart devices from low frequency (<5 Hz) vibrations.

  11. 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.

  12. Solvent effect on the anharmonic vibrational frequencies in guanine-cytosine base pair

    NASA Astrophysics Data System (ADS)

    Bende, A.; Muntean, C. M.

    2012-02-01

    We present an ab initio study of the vibrational properties of cytosine and guanine in the Watson-Crick and Hoogsteen base pair configurations. The results are obtained by considering the DFT method together with the Polarizable Continuum Model (PCM) using PBE and B3PW91 exchange-correlation functionals and triple-ζ valence basis set. We investigate the importance of anharmonic corrections for the vibrational modes taking into account the solvent effect of the water environment. In particular, the unusual anharmonic effect of the H+ vibration in the case of the Hoogsteen base pair configuration is discussed.

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

    SciTech Connect

    Velarde Ruiz Esparza, Luis A.; Wang, Hongfei

    2013-12-14

    The emergence of sub-wavenumber high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BBSFG-VS) [Velarde et al., J. Chem. Phys., 2011, 135, 241102] has offered new opportunities in obtaining and understanding the spectral lineshape and temporal effects on the surface vibrational spectroscopy. Particularly, the high accuracy in the HR-BBSFG-VS spectral lineshape measurement provides detailed information on the complex coherent vibrational dynamics through spectral measurement. Here we present a unified formalism of the theoretical and experimental approaches for obtaining the accurate lineshape of the SFG response, and then present a analysis on the higher and lower spectral resolution SFG spectra as well as their temporal effects of the cholesterol molecules at the air/water interface. With the high spectral resolution and accurate lineshape, it is shown that the parameters from the sub-wavenumber resolution SFG spectra can be used not only to understand but also to quantitatively reproduce the temporal effects in the lower resolution SFG measurement. These not only provide a unified picture in understanding both the frequency-domain and the time-domain SFG response of the complex molecular interface, but also provide novel experimental approaches that can directly measure them.

  14. Delays of stimulus-frequency otoacoustic emissions and cochlear vibrations contradict the theory of coherent reflection filtering

    NASA Astrophysics Data System (ADS)

    Siegel, Jonathan H.; Cerka, Amanda J.; Recio-Spinoso, Alberto; Temchin, Andrei N.; van Dijk, Pim; Ruggero, Mario A.

    2005-10-01

    When stimulated by tones, the ear appears to emit tones of its own, stimulus-frequency otoacoustic emissions (SFOAEs). SFOAEs were measured in 17 chinchillas and their group delays were compared with a place map of basilar-membrane vibration group delays measured at the characteristic frequency. The map is based on Wiener-kernel analysis of responses to noise of auditory-nerve fibers corroborated by measurements of vibrations at several basilar-membrane sites. SFOAE group delays were similar to, or shorter than, basilar-membrane group delays for frequencies >4 kHz and <4 kHz, respectively. Such short delays contradict the generally accepted ``theory of coherent reflection filtering'' [Zweig and Shera, J. Acoust. Soc. Am. 98, 2018-2047 (1995)], which predicts that the group delays of SFOAEs evoked by low-level tones approximately equal twice the basilar-membrane group delays. The results for frequencies higher than 4 kHz are compatible with hypotheses of SFOAE propagation to the stapes via acoustic waves or fluid coupling, or via reverse basilar membrane traveling waves with speeds corresponding to the signal-front delays, rather than the group delays, of the forward waves. The results for frequencies lower than 4 kHz cannot be explained by hypotheses based on waves propagating to and from their characteristic places in the cochlea.

  15. Delays of stimulus-frequency otoacoustic emissions and cochlear vibrations contradict the theory of coherent reflection filtering.

    PubMed

    Siegel, Jonathan H; Cerka, Amanda J; Recio-Spinoso, Alberto; Temchin, Andrei N; van Dijk, Pim; Ruggero, Mario A

    2005-10-01

    When stimulated by tones, the ear appears to emit tones of its own, stimulus-frequency otoacoustic emissions (SFOAEs). SFOAEs were measured in 17 chinchillas and their group delays were compared with a place map of basilar-membrane vibration group delays measured at the characteristic frequency. The map is based on Wiener-kernel analysis of responses to noise of auditory-nerve fibers corroborated by measurements of vibrations at several basilar-membrane sites. SFOAE group delays were similar to, or shorter than, basilar-membrane group delays for frequencies >4 kHz and <4 kHz, respectively. Such short delays contradict the generally accepted "theory of coherent reflection filtering" [Zweig and Shera, J. Acoust. Soc. Am. 98, 2018-2047 (1995)], which predicts that the group delays of SFOAEs evoked by low-level tones approximately equal twice the basilar-membrane group delays. The results for frequencies higher than 4 kHz are compatible with hypotheses of SFOAE propagation to the stapes via acoustic waves or fluid coupling, or via reverse basilar membrane traveling waves with speeds corresponding to the signal-front delays, rather than the group delays, of the forward waves. The results for frequencies lower than 4 kHz cannot be explained by hypotheses based on waves propagating to and from their characteristic places in the cochlea.

  16. 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

  17. Effect of Vibration Frequency and Acceleration Magnitude of Chicken Embryos on Viability and Development. Phase 1

    DTIC Science & Technology

    1990-11-01

    JUN 86 Previous editions are obsolete, SECURITY CLASSIFICATION OF THIS PAGE UNCLASSIFIED Preface Vibration exposure standards for pregnant women and...potential hazard associated with vibration exposure , continue to fly during their first trimester, not reporting their pregnancy to their flight surgeon...until after the 4th month to avoid over 6 months of medical suspension and administrative action. Thus, the true exposure rate of pregnant women to

  18. Elucidating low-frequency vibrational dynamics in calcite and water with time-resolved third-harmonic generation spectroscopy.

    PubMed

    Wang, Liang; Liu, Weimin; Fang, Chong

    2015-07-14

    Low-frequency vibrations are foundational for material properties including thermal conductivity and chemical reactivity. To resolve the intrinsic molecular conformational dynamics in condensed phase, we implement time-resolved third-harmonic generation (TRTHG) spectroscopy to unravel collective skeletal motions in calcite, water, and aqueous salt solution in situ. The lifetime of three Raman-active modes in polycrystalline calcite at 155, 282 and 703 cm(-1) is found to be ca. 1.6 ps, 1.3 ps and 250 fs, respectively. The lifetime difference is due to crystallographic defects and anharmonic effects. By incorporating a home-built wire-guided liquid jet, we apply TRTHG to investigate pure water and ZnCl2 aqueous solution, revealing ultrafast dynamics of water intermolecular stretching and librational bands below 500 cm(-1) and a characteristic 280 cm(-1) vibrational mode in the ZnCl4(H2O)2(2-) complex. TRTHG proves to be a compact and versatile technique that directly uses the 800 nm fundamental laser pulse output to capture ultrafast low-frequency vibrational motion snapshots in condensed-phase materials including the omnipresent water, which provides the important time dimension to spectral characterization of molecular structure-function relationships.

  19. 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

  20. Design, fabrication and characterization of a very low frequency piezoelectric energy harvester designed for heart beat vibration scavenging

    NASA Astrophysics Data System (ADS)

    Colin, M.; Basrour, S.; Rufer, L.

    2013-05-01

    Current version of implantable cardioverter defibrillators (ICDs) and pacemakers consists of a battery-powered pulse generator connected onto the heart through electrical leads inserted through the veins. However, it is known that long-term lead failure may occur and cause a dysfunction of the device. When required, the removal of the failed leads is a complex procedure associated with a potential risk of mortality. As a consequence, the main players in the field of intracardiac implants prepare a next generation of devices: miniaturized and autonomous leadless implants, which could be directly placed inside the heart. In this paper, we discuss the frequency content of a heart vibration spectrum, and the dimensional restrictions in the case of a leadless pacemaker. In combination with the requirements in terms of useable energy, we will present a design study of a resonant piezoelectric scavenger aimed at powering such a device. In particular, we will show how the frequency-volume-energy requirement leads to new challenges in terms of power densities, which are to be addressed through implementation of innovative piezoelectric thick films fabrication processes. This paper also presents the simulation, fabrication and the testing of an ultralow frequency (15Hz) resonant piezoelectric energy harvester prototype. Using both harmonic (50mg) and real heart-induced vibrations, we obtained an output power of 60μW and 10μW respectively. Finally, we will place emphasis on the new constraint represented by the gravitational (orientation) sensitivity inherent to these ultra low frequency resonant energy harvesters.

  1. Optimization of linear zigzag insert metastructures for low-frequency vibration attenuation using genetic algorithms

    NASA Astrophysics Data System (ADS)

    Abdeljaber, Osama; Avci, Onur; Kiranyaz, Serkan; Inman, Daniel J.

    2017-02-01

    Vibration suppression remains a crucial issue in the design of structures and machines. Recent studies have shown that with the use of metamaterial inspired structures (or metastructures), considerable vibration attenuation can be achieved. Optimization of the internal geometry of metastructures maximizes the suppression performance. Zigzag inserts have been reported to be efficient for vibration attenuation. It has also been reported that the geometric parameters of the inserts affect the vibration suppression performance in a complex manner. In an attempt to find out the most efficient parameters, an optimization study has been conducted on the linear zigzag inserts and is presented here. The research reported in this paper aims at developing an automated method for determining the geometry of zigzag inserts through optimization. This genetic algorithm based optimization process searches for optimal zigzag designs which are properly tuned to suppress vibrations when inserted in a specific host structure (cantilever beam). The inserts adopted in this study consist of a cantilever zigzag structure with a mass attached to its unsupported tip. Numerical simulations are carried out to demonstrate the efficiency of the proposed zigzag optimization approach.

  2. THE POSSIBLE INTERSTELLAR ANION CH{sub 2}CN{sup -}: SPECTROSCOPIC CONSTANTS, VIBRATIONAL FREQUENCIES, AND OTHER CONSIDERATIONS

    SciTech Connect

    Fortenberry, Ryan C.; Lee, Timothy J.; Crawford, T. Daniel E-mail: Timothy.J.Lee@nasa.gov

    2013-01-10

    The A {sup 1}B{sub 1} Leftwards-Open-Headed-Arrow X-tilde{sup 1}A' excitation into the dipole-bound state of the cyanomethyl anion (CH{sub 2}CN{sup -}) 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 X-tilde{sup 1} A' CH{sub 2}CN{sup -} in order to assist in laboratory studies and astronomical observations.

  3. Surface Structure of Protonated R-Sapphire (1$\\bar{1}$02) Studied by Sum-Frequency Vibrational Spectroscopy

    SciTech Connect

    Sung, Jaeho; Zhang, Luning; Tian, Chuanshan; Waychunas, Glenn A.; Shen, Y. Ron

    2011-03-23

    Sum frequency vibrational spectroscopy was used to study the protonated R-plane (1$\\bar{1}$02 ) sapphire surface. The OH stretch vibrational spectra show that the surface is terminated with three hydroxyl moieties, two from AlOH2 and one from Al2OH functional groups. The observed polarization dependence allows determination of the orientations of the three OH species. The results suggest that the protonated sapphire (1$\\bar{1}$02 ) surface differs from an ideal stoichimetric termination in a manner consistent with previous X-ray surface diffraction (crystal truncation rod) studies. However, in order to best explain the observed hydrogenbonding arrangement, surface oxygen spacing determined from the X-ray diffraction study requires modification.

  4. Fundamental Vibration Frequency and Damping Estimation: A Comparison Using the Random Decrement Method, the Empirical Mode Decomposition, and the HV Spectral Ratio Method for Local Site Characterization

    NASA Astrophysics Data System (ADS)

    Huerta-Lopez, C. I.; Upegui Botero, F. M.; Pulliam, J.; Willemann, R. J.; Pasyanos, M.; Schmitz, M.; Rojas Mercedes, N.; Louie, J. N.; Moschetti, M. P.; Martinez-Cruzado, J. A.; Suárez, L.; Huerfano Moreno, V.; Polanco, E.

    2013-12-01

    Site characterization in civil engineering demands to know at least two of the dynamic properties of soil systems, which are: (i) dominant vibration frequency, and (ii) damping. As part of an effort to develop understanding of the principles of earthquake hazard analysis, particularly site characterization techniques using non invasive/non destructive seismic methods, a workshop (Pan-American Advanced Studies Institute: New Frontiers in Geophysical Research: Bringing New Tools and Techniques to Bear on Earthquake Hazard Analysis and Mitigation) was conducted during july 15-25, 2013 in Santo Domingo, Dominican Republic by the alliance of Pan-American Advanced Studies Institute (PASI) and Incorporated Research Institutions for Seismology (IRIS), jointly supported by Department of Energy (DOE) and National Science Foundation (NSF). Preliminary results of the site characterization in terms of fundamental vibration frequency and damping are here presented from data collected during the workshop. Three different methods were used in such estimations and later compared in order to identify the stability of estimations as well as the advantage or disadvantage among these methodologies. The used methods were the: (i) Random Decrement Method (RDM), to estimate fundamental vibration frequency and damping simultaneously; (ii) Empirical Mode Decomposition (EMD), to estimate the vibration modes, and (iii) Horizontal to Vertical Spectra ratio (HVSR), to estimate the fundamental vibration frequency. In all cases ambient vibration and induced vibration were used.

  5. Electron-phonon metamaterial featuring nonlinear tri-interleaved piezoelectric topologies and its application in low-frequency vibration control

    NASA Astrophysics Data System (ADS)

    Bao, Bin; Guyomar, Daniel; Lallart, Mickaël

    2016-09-01

    This article proposes a nonlinear tri-interleaved piezoelectric topology based on the synchronized switch damping on inductor (SSDI) technique, which can be applied to phononic metamaterials for elastic wave control and effective low-frequency vibration reduction. A comparison of the attenuation performance is made between piezoelectric phononic metamaterial with distributed SSDI topology (each SSDI shunt being independently connected to a single piezoelectric element) and piezoelectric phononic metamaterial with the proposed electronic topology. Theoretical results show excellent band gap hybridization (near-coupling between Bragg scattering mechanism and wideband resonance mechanism induced by synchronized switch damping networks in piezoelectric phononic metamaterials) with the proposed electronic topology over the investigated frequency domain. Furthermore, piezoelectric phononic metamaterials with proposed electronic topology generated a better low-frequency broadband gap, which is experimentally validated by measuring the harmonic response of a piezoelectric phononic metamaterial beam under clamped-clamped boundary conditions.

  6. Observations of earth eigen vibrations possibly excited by low frequency gravity waves

    NASA Technical Reports Server (NTRS)

    Tuman, V. S.

    1971-01-01

    A cryogenic gravity meter made of two parts, a magnetic suspension unit and a detection module, was used to monitor earth eigen vibrations. The magnetic field and field gradient are generated by energizing a set of superconducting coils made of niobium-zirconium alloy wire. The detection module is a double Josephson junction magnetometer. The output is printed on a chart recorder and later digitized using a computer; a Fourier transformation is performed on the accumulated data. The measurements of eigen vibrations are summarized in tabular and graphical representations.

  7. 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

  8. Role of structural relaxations and vibrational excitations in the high-frequency dynamics of liquids and glasses

    NASA Astrophysics Data System (ADS)

    Chong, Song-Ho

    2006-09-01

    We present theoretical investigation on the high-frequency collective dynamics in liquids and glasses at microscopic length scales and in the terahertz frequency region based on the mode-coupling theory for ideal liquid-glass transition. We focus on recently investigated issues from inelastic-x-ray-scattering and computer-simulation studies for dynamic structure factors and longitudinal and transversal current spectra: the anomalous dispersion of the high-frequency sound velocity and the nature of the low-frequency excitation called the boson peak. It will be discussed how the sound mode interferes with other low-lying modes present in the system. Thereby, we provide a systematic explanation of the anomalous sound-velocity dispersion in systems—ranging from high temperature liquid down to deep inside the glass state—in terms of the contributions from the structural-relaxation processes and from vibrational excitations called the anomalous-oscillation peak (AOP). A possibility of observing negative dispersion—the decrease of the sound velocity upon increase of the wave number—is argued when the sound-velocity dispersion is dominated by the contribution from the vibrational dynamics. We also show that the low-frequency excitation, observable in both of the glass-state longitudinal and transversal current spectra at the same resonance frequency, is the manifestation of the AOP. As a consequence of the presence of the AOP in the transversal current spectra, it is predicted that the transversal sound velocity also exhibits the anomalous dispersion. These results of the theory are demonstrated for a model of the Lennard-Jones system.

  9. Wavelet Transform for Time-Frequency Analysis of the Vibrational Signature and its Application

    DTIC Science & Technology

    1993-08-17

    Wavelet transform is applied to the analysis of vibration signatures in order to verify the ability of the detection of abnormal condition. It can...first stage. The objective of this report outlines the definition of the wavelet transform and is to discuss the properties of the wavelet transform as

  10. Vibrational frequency scaling factors for correlation consistent basis sets and the methods CC2 and MP2 and their spin-scaled SCS and SOS variants

    SciTech Connect

    Friese, Daniel H.; Törk, Lisa; Hättig, Christof

    2014-11-21

    We present scaling factors for vibrational frequencies calculated within the harmonic approximation and the correlated wave-function methods coupled cluster singles and doubles model (CC2) and Møller-Plesset perturbation theory (MP2) with and without a spin-component scaling (SCS or spin-opposite scaling (SOS)). Frequency scaling factors and the remaining deviations from the reference data are evaluated for several non-augmented basis sets of the cc-pVXZ family of generally contracted correlation-consistent basis sets as well as for the segmented contracted TZVPP basis. We find that the SCS and SOS variants of CC2 and MP2 lead to a slightly better accuracy for the scaled vibrational frequencies. The determined frequency scaling factors can also be used for vibrational frequencies calculated for excited states through response theory with CC2 and the algebraic diagrammatic construction through second order and their spin-component scaled variants.

  11. Micro- and nano-structural details of a spider's filter for substrate vibrations: relevance for low-frequency signal transmission

    PubMed Central

    Erko, Maxim; Younes-Metzler, Osnat; Rack, Alexander; Zaslansky, Paul; Young, Seth L.; Milliron, Garrett; Chyasnavichyus, Marius; Barth, Friedrich G.; Fratzl, Peter; Tsukruk, Vladimir; Zlotnikov, Igor; Politi, Yael

    2015-01-01

    The metatarsal lyriform organ of the Central American wandering spider Cupiennius salei is its most sensitive vibration detector. It is able to sense a wide range of vibration stimuli over four orders of magnitude in frequency between at least as low as 0.1 Hz and several kilohertz. Transmission of the vibrations to the slit organ is controlled by a cuticular pad in front of it. While the mechanism of high-frequency stimulus transfer (above ca 40 Hz) is well understood and related to the viscoelastic properties of the pad's epicuticle, it is not yet clear how low-frequency stimuli (less than 40 Hz) are transmitted. Here, we study how the pad material affects the pad's mechanical properties and thus its role in the transfer of the stimulus, using a variety of experimental techniques, such as X-ray micro-computed tomography for three-dimensional imaging, X-ray scattering for structural analysis, and atomic force microscopy and scanning electron microscopy for surface imaging. The mechanical properties were investigated using scanning acoustic microscopy and nanoindentation. We show that large tarsal deflections cause large deformation in the distal highly hydrated part of the pad. Beyond this region, a sclerotized region serves as a supporting frame which resists the deformation and is displaced to push against the slits, with displacement values considerably scaled down to only a few micrometres. Unravelling the structural arrangement in such specialized structures may provide conceptual ideas for the design of new materials capable of controlling a technical sensor's specificity and selectivity, which is so typical of biological sensors. PMID:25631567

  12. From Conventional to Phase-Sensitive Vibrational Sum Frequency Generation Spectroscopy: Probing Water Organization at Aqueous Interfaces.

    PubMed

    Verreault, Dominique; Hua, Wei; Allen, Heather C

    2012-10-18

    Elucidation of water organization at aqueous interfaces has remained a challenging problem. Conventional vibrational sum frequency generation (VSFG) spectroscopy and its most recent extension, phase-sensitive VSFG (PS-VSFG), have emerged as powerful experimental methods for unraveling structural information at various aqueous interfaces. In this Perspective, we briefly describe the two possible VSFG detection modes, and we point out features that make these methods highly suited to address questions about water organization at air/aqueous interfaces. Several important aqueous interfacial systems are discussed to illustrate the versatility of these methods. Remaining challenges and exciting prospective directions are also presented.

  13. Binding of Na+ and K+ to the Headgroup of Palmitic Acid Monolayers Studied by Vibrational Sum Frequency Generation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Huang, Zishuai; Allen, Heather C.

    2012-06-01

    Alkali cations are critical in biological systems due to their electrical interaction with cell membranes. While Na+ and K+ share similar chemical and physical properties, they can exhibit differences when interacting with biological membranes. These phenomena may be modeled using a Langmuir monolayer of surfactant on alkali chloride solutions. Vibrational sum frequency generation (VSFG) spectroscopy is an interface specific technique that is widely employed to study molecular organization at surfaces and interfaces. VSFG spectroscopy was used to probe the CO2- vibrational mode for the carboxylic acid headgroup of palmitic acid (PA) spread on the surface of NaCl and KCl solutions in the vibrational region between 1400 and 1500 cm-1. The ability of Na+ and K+ to bind with the carboxylic headgroup of PA is revealed by observing peak positions (˜1410 cm-1 and ˜1470 cm-1) and relative intensity for the CO2- peaks. These results are compared and discussed with perspective toward elucidating interfacial PA headgroup organization. The time evolution for the PA CO2- peaks is also monitored after monolayer spreading via VSFG and these results are presented as well.

  14. The Investigation of The Relationship Electronic Energy ˜ (Vibrational Frequency x Internuclear Distance)^2, Regarding The Vibrational Electronic States of Hydrogen Molecule

    NASA Astrophysics Data System (ADS)

    Yarman, Tolga; Yarman, Faruk; Ozaydin, Fatih

    2003-05-01

    The first author has previously established the following relationship between the electronic energy E and the vibrational frequency f, in regards to the vibrational electronic states of a given diatomic molecule [1, 2]: E=4π^2Mgk f^2 R^2 (1); here M is the reduced mass of the molecule, R the internuclear distance, and g_k, usually around unity, a coefficient insuring the equality; for electronic states configured alike, we expect the coefficient g_k, to remain practically the same. E is normally given as E=E0 - Te (2), where E0 is the magnitude of the ground state electronic energy of the molecule, and Te a tabulated quantity. Eq.(1) then becomes T_e=E0 - 4π^2Mgk f^2R^2 (3). Thence the plot of Te for the electronic states bearing the same g_k, versus f^2R^2, should come out as a decreasing straight line; it indeed does. The intersection of this straight line with the Te axis, furnishes E_0, the ground state electronic energy, and the slope of it furnishes the coefficient g_k. Note that Eq.(3) is valid for any diatomic molecule. We check this equation, on the basis of H_2, the only molecule providing us with sufficient amount of data. Thus, out of some twenty pairs of electronic data, for which gk is practically the same as that of the ground state, we have drawn Te versus the f^2R^2, to obtain a nicely decreasing straight straight line, whose intersection with the axis of Te satisfactorily furnishes ˜ 31 ev. [1] T. Yarman, How Do Electric Charges Fix, the Architecture of Diatomic Molecules, DAMOP 2002, APS, 28 Mayýs 28 June 1, Williamsburg, Virginia, USA. [2] T. Yarman, A New Approach to the Architecture of Diatomic Molecules, DAMOP 2001, APS, May 16 -19, 2001, London, Ontario, Canada.

  15. Theoretical foundation, methods, and criteria for calibrating human vibration models using frequency response functions

    PubMed Central

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

    2015-01-01

    While simulations of the measured biodynamic responses of the whole human body or body segments to vibration are conventionally interpreted as summaries of biodynamic measurements, and the resulting models are considered quantitative, this study looked at these simulations from a different angle: model calibration. The specific aims of this study are to review and clarify the theoretical basis for model calibration, to help formulate the criteria for calibration validation, and to help appropriately select and apply calibration methods. In addition to established vibration theory, a novel theorem of mechanical vibration is also used to enhance the understanding of the mathematical and physical principles of the calibration. Based on this enhanced understanding, a set of criteria was proposed and used to systematically examine the calibration methods. Besides theoretical analyses, a numerical testing method is also used in the examination. This study identified the basic requirements for each calibration method to obtain a unique calibration solution. This study also confirmed that the solution becomes more robust if more than sufficient calibration references are provided. Practically, however, as more references are used, more inconsistencies can arise among the measured data for representing the biodynamic properties. To help account for the relative reliabilities of the references, a baseline weighting scheme is proposed. The analyses suggest that the best choice of calibration method depends on the modeling purpose, the model structure, and the availability and reliability of representative reference data. PMID:26740726

  16. Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methods.

    PubMed

    Palafox, M Alcolea; Rastogi, V K; Tanwar, R P; Mittal, Lalit

    2003-09-01

    Vibrational study of the biomolecule 2-thiouracil was carried out. Ab initio and density functional calculations were performed to assign the experimental spectra. A comparison with the uracil molecule was made, and specific scale factors were deduced and employed in the predicted frequencies of 2-thiouracil. Several scaling procedures were used. The geometry structure of the molecule was determined. The effect of sulfur substitution at C2 position in the uracil molecule, on the N1-H and N3-H frequencies and intensities reflects changes in proton donor abilities of these groups. Calculations with the 6-31 G** basis set with HF and DFT methods appear in general to be useful for interpretation of the general features of the IR and Raman spectra of the molecule. Using specific scale factors a very small error was obtained. The use of these specific scale factors resolve and correct some of the controversial assignments in the literature.

  17. Low-Frequency MEMS Electrostatic Vibration Energy Harvester With Corona-Charged Vertical Electrets and Nonlinear Stoppers

    NASA Astrophysics Data System (ADS)

    Lu, Y.; Cottone, F.; Boisseau, S.; Galayko, D.; Marty, F.; Basset, P.

    2015-12-01

    This paper reports for the first time a MEMS electrostatic vibration energy harvester (e-VEH) with corona-charged vertical electrets on its electrodes. The bandwidth of the 1-cm2 device is extended in low and high frequencies by nonlinear elastic stoppers. With a bias voltage of 46 V (electret@21 V + DC external source@25 V) between the electrodes, the RMS power of the device reaches 0.89 μW at 33 Hz and 6.6 μW at 428 Hz. The -3dB frequency band including the hysteresis is 223∼432 Hz, the one excluding the hysteresis 88∼166 Hz. We also demonstrate the charging of a 47 μF capacitor used for powering a wireless and autonomous temperature sensor node with a data transmission beyond 10 m at 868 MHz.

  18. Method for the calculation of the vibrational frequency shift of physisorbed molecules. Application to H2 adsorbed in NaA zeolite

    NASA Astrophysics Data System (ADS)

    Larin, A. V.; Cohen De Lara, E.

    1994-11-01

    The vibrational frequency shift of physisorbed diatomic molecules is related to the interaction with the adsorbent expressed in terms of the internuclear distance ρ. It is calculated by the Schrödinger equation, the perturbation theory, and a simplified method. We show that it is sufficient to calculate the interaction potential for the values of ρ in the ground and first vibrational states in order to get a precision of 10% on the frequency shift. The comparison between the theoretical and experimental frequency shift of H2 adsorbed in NaA zeolite is used to adjust the interaction potential, especially in terms of the ionicity of the crystal.

  19. N-H stretching modes around 3300 wavenumber from peptide backbones observed by chiral sum frequency generation vibrational spectroscopy.

    PubMed

    Fu, Li; Wang, Zhuguang; Yan, Elsa C Y

    2014-09-01

    We present a detailed analysis of the molecular origin of the chiral sum frequency generation (SFG) signals of proteins and peptides at interfaces in the N-H stretching vibrational region. The N-H stretching can be a probe for investigating structural and functional properties of proteins, but remains technically difficult to analyze due to the overlapping with the O-H stretching of water molecules. Chiral SFG spectroscopy offers unique tools to study the N-H stretching from proteins at interfaces without interference from the water background. However, the molecular origin of the N-H stretching signals of proteins is still unclear. This work provides a justification of the origin of chiral N-H signals by analyzing the vibrational frequencies, examining chiral SFG theory, studying proton (hydrogen/deuterium) exchange kinetics, and performing optical control experiments. The results demonstrate that the chiral N-H stretching signals at ~3300 cm(-1) originate from the amide group of the protein backbones. This chiral N-H stretching signal offers an in situ, real-time, and background-free probe for interrogating the protein structures and dynamics at interfaces at the molecular level.

  20. Prediction of the bond lengths, vibrational frequencies, and bond dissociation energy of octahedral seaborgium hexacarbonyl, Sg(CO){sub 6}

    SciTech Connect

    Nash, C.S.; Bursten, B.E.

    1999-11-24

    The recent syntheses of several new elements (including the recent reports of elements 116 and 118), coupled with the controversy surrounding the naming of elements 104--109, have stimulated a great interest in the chemistry of the transactinide elements. This contribution addresses hypothetical hexacarbonyl complex of seaborgium (Sg, element 106), which is predicted to be a 6d-block transition element with six valence electrons, analogous to Cr, Mo, and W. The authors have previously predicted that, if it were to exist, Sg(CO){sub 6} would exhibit metal-carbonyl bonding that is very similar to that in Cr(CO){sub 6}, Mo(CO){sub 6}, and W(CO){sub 6}, and quite unlike that of the unknown valence isoelectronic actinide complex U(CO){sub 6}. This finding is in accord with the scant experimental data available for Sg. The relativistic DV-X{alpha} method used in the earlier paper facilitated the analysis of the molecular orbitals of Sg(CO){sub 6}, but did not allow for the calculation of total-energy properties, such as bond lengths and vibrational frequencies. Here the authors will use the superior methodology they have applied to other transactinide molecules to compare the bond lengths, vibrational frequencies, and CO dissociation energy of hypothetical Sg(CO){sub 6} to those of Mo(CO){sub 6} and W(CO){sub 6}.

  1. 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.

  2. Natural frequencies, modeshapes and modal interactions for strings vibrating against an obstacle: Relevance to Sitar and Veena

    NASA Astrophysics Data System (ADS)

    Mandal, A. K.; Wahi, P.

    2015-03-01

    We study the vibration characteristics of a string with a smooth unilateral obstacle placed at one of the ends similar to the strings in musical instruments like sitar and veena. In particular, we explore the correlation between the string vibrations and some unique sound characteristics of these instruments like less inharmonicity in the frequencies, a large number of overtones and the presence of both frequency and amplitude modulations. At the obstacle, we have a moving boundary due to the wrapping of the string and an appropriate scaling of the spatial variable leads to a fixed boundary at the cost of introducing nonlinearity in the governing equation. Reduced order system of equations has been obtained by assuming a functional form for the string displacement which satisfies all the boundary conditions and gives the free length of the string in terms of the modal coordinates. To study the natural frequencies and mode-shapes, the nonlinear governing equation is linearized about the static configuration. The natural frequencies have been found to be harmonic and they depend on the shape of the obstacle through the effective free length of the string. Expressions have been obtained for the time-varying mode-shapes as well as the variation of the nodal points. Modal interactions due to coupling have been studied which show the appearance of higher overtones as well as amplitude modulations in our theoretical model akin to the experimental observations. All the obtained results have been verified with an alternate formulation based on the assumed mode method with polynomial shape functions.

  3. 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.

  4. Low-amplitude high frequency vibration down-regulates myostatin and atrogin-1 expression, two components of the atrophy pathway in muscle cells.

    PubMed

    Ceccarelli, Gabriele; Benedetti, Laura; Galli, Daniela; Prè, Deborah; Silvani, Giulia; Crosetto, Nicola; Magenes, Giovanni; Cusella De Angelis, Maria Gabriella

    2014-05-01

    Whole body vibration (WBV) is a very widespread mechanical stimulus used in physical therapy, rehabilitation and fitness centres. It has been demonstrated that vibration induces improvements in muscular strength and performance and increases bone density. We investigated the effects of low-amplitude, high frequency vibration (HFV) at the cellular and tissue levels in muscle. We developed a system to produce vibrations adapted to test several parameters in vitro and in vivo. For in vivo experiments, we used newborn CD1 wild-type mice, for in vitro experiments, we isolated satellite cells from 6-day-old CD1 mice, while for proliferation studies, we used murine cell lines. Animals and cells were treated with high frequency vibration at 30 Hz. We analyzed the effects of mechanical stimulation on muscle hypertrophy/atrophy pathways, fusion enhancement of myoblast cells and modifications in the proliferation rate of cells. Results demonstrated that mechanical vibration strongly down-regulates atrophy genes both in vivo and in vitro. The in vitro experiments indicated that mechanical stimulation promotes fusion of satellite cells treated directly in culture compared to controls. Finally, proliferation experiments indicated that stimulated cells had a decreased growth rate compared to controls. We concluded that vibration treatment at 30 Hz is effective in suppressing the atrophy pathway both in vivo and in vitro and enhances fusion of satellite muscle cells.

  5. How does high-frequency sound or vibration activate vestibular receptors?

    PubMed

    Curthoys, I S; Grant, J W

    2015-03-01

    The mechanism by which vestibular neural phase locking occurs and how it relates to classical otolith mechanics is unclear. Here, we put forward the hypothesis that sound and vibration both cause fluid pressure waves in the inner ear and that it is these pressure waves which displace the hair bundles on vestibular receptor hair cells and result in activation of type I receptor hair cells and phase locking of the action potentials in the irregular vestibular afferents, which synapse on type I receptors. This idea has been suggested since the early neural recordings and recent results give it greater credibility.

  6. Development of a simplified, mass producible hybridized ambient, low frequency, low intensity vibration energy scavenger (half-lives)

    NASA Astrophysics Data System (ADS)

    Khbeis, Michael Tawfik

    Scavenging energy from environmental sources is an active area of research to enable remote sensing and microsystems applications. Furthermore, as energy demands soar, there is a significant need to explore new sources and curb waste. Vibration energy scavenging is one environmental source for remote applications and a candidate for recouping energy wasted by mechanical sources that can be harnessed to monitor and optimize operation of critical infrastructure (e.g. Smart Grid). Current vibration scavengers are limited by volume and ancillary requirements for operation such as control circuitry overhead and battery sources. This dissertation, for the first time, reports a mass producible hybrid energy scavenger system that employs both piezoelectric and electrostatic transduction on a common MEMS device. The piezoelectric component provides an inherent feedback signal and pre-charge source that enables electrostatic scavenging operation while the electrostatic device provides the proof mass that enables low frequency operation. The piezoelectric beam forms the spring of the resonant mass-spring transducer for converting vibration excitation into an AC electrical output. A serially poled, composite shim, piezoelectric bimorph produces the highest output rectified voltage of over 3.3V and power output of 145muW using ¼ g vibration acceleration at 120Hz. Considering solely the volume of the piezoelectric beam and tungsten proof mass, the volume is 0.054cm3, resulting in a power density of 2.68mW/cm3. Incorporation of a simple parallel plate structure that provides the proof mass for low frequency resonant operation in addition to cogeneration via electrostatic energy scavenging provides a 19.82 to 35.29 percent increase in voltage beyond the piezoelectric generated DC rails. This corresponds to approximately 2.1nW additional power from the electrostatic scavenger component and demonstrates the first instance of hybrid energy scavenging using both piezoelectric and

  7. Effects on the torsional vibration behavior in the investigation of dental implant osseointegration using resonance frequency analysis: a numerical approach.

    PubMed

    Zhai, Min; Li, Bing; Li, Dehua

    2017-02-07

    Resonance frequency analysis (RFA) methods are widely used to assess implant stability, particularly the Osstell(®) device. The potential effects associated with this method have been discussed in the literature. Torsional RFA (T-RFA), mentioned in our previous study, could represent a new measurement method. The purpose of this study was to simulate T-shaped and Osstell(®) transducer-implant-bone system models; compare their vibration modes and corresponding resonance frequencies; and investigate the effects of their parameters, such as the effective implant length (EIL), bone quality, and osseointegration level, on the torsional resonance frequency (TRF) and bending resonance frequency (BRF) using three-dimensional finite element analysis. Following the finite element model validation, the TRFs and BRFs for three different EILs and four types of bone quality were obtained, and the change rates during 25 degrees of osseointegration were observed. The analysis showed that an increase in the EIL and a decrease in bone quality have less effect on the declination rate of TRFs than on that of BRFs. TRFs are highly sensitive to the stiffness of the implant-bone interface during the healing period. It was concluded that T-RFA has better sensitivity and specificity.

  8. Low magnitude high frequency vibration promotes adipogenic differentiation of bone marrow stem cells via P38 MAPK signal

    PubMed Central

    Yu, Haiyang; Gan, Xueqi

    2017-01-01

    Low magnitude high frequency vibration (LMHFV) has been mainly reported for its influence on the musculoskeletal system, particularly the bone tissue. In the bone structure, osteogenic activity is the main focus of study with regards to LMHFV. However, adipogenesis, another important mode of differentiation in the bone marrow cavity that might be affected by LMHFV, is much less researched. Furthermore, the molecular mechanism of how LMHFV influences adipogenesis still needs to be understood. Here, we tested the effect of LMHFV (0.3g, 40 Hz, amplitude: 50μm), 15min/d, on multipotent stem cells (MSCs), which are the common progenitors of osteogenic, chondrogenic, adipogenic and myogenic cells. It is previously shown that LMHFV promotes osteogenesis of MSCs. In this study, we further revealed its effect on adipo-differentiation of bone marrow stem cells (BMSCs) and studied the underlying signaling pathway. We found that when treated with LMHFV, the cells showed a higher expression of PPARγ, C/EBPα, adiponectin and showed more oil droplets. After vibration, the protein expression of PPARγ increased, and the phosphorylation of p38 MAPK was enhanced. After treating cells with SB203580, a specific p38 inhibitor, both the protein level of PPARγ illustrated by immunofluorescent staining and the oil droplets number, were decreased. Altogether, this indicates that p38 MAPK is activated during adipogenesis of BMSCs, and this is promoted by LMHFV. Our results demonstrating that specific parameters of LMHFV promotes adipogenesis of MSCs and enhances osteogenesis, highlights an unbeneficial side effect of vibration therapy used for preventing obesity and osteoporosis. PMID:28253368

  9. Resolving Two Closely Overlapping -CN Vibrations and Structure in the Langmuir Monolayer of the Long-Chain Nonadecanenitrile by Polarization Sum Frequency Generation Vibrational Spectroscopy

    SciTech Connect

    Zhang, Zhen; Guo, Yuan; Lu, Zhou; Velarde Ruiz Esparza, Luis A.; Wang, Hongfei

    2012-01-10

    Polarization sum frequency generation vibrational spectra (SFG-VS) reveals that there are two distinctively different but closely overlapping -CN vibrations at 2244.5 cm{sup -1} and 2251.1 cm{sup -1}, respectively, in the Langmuir monolayer of the long-chain nonadecanenitrile (C18CN, CH{sub 3}(CH{sub 2}){sub 17}CN, or C18CN)at the air/water interface. The blue shifted -CN groups at 2251.1 cm{sup -1} peak is about 1.8 times broader than that of the 2244.5 cm{sup -1}. Both the spectral shift and spectral width are consistent with the picture that this blue shifted peak corresponds to the solvated -CN group; while the 2244.5 cm{sup -1} peak is the signature of the less solvated -CN group. Polarization dependence of these two peaks further suggest that the -CN group corresponding to the 2251.1 cm{sup -1} peak is tilted with an average angle of 50{sup o} from interface normal, where that to the 2244.5 cm{sup -1} peak is tilted with an angle around 67{sup o}. The relative population for the -CN groups corresponding to the 2251.1 cm{sup -1} peak is about three times of that of the 2244.5 cm{sup -1} peak. These results suggest that the -CN head groups in the C18CN Langmuir monolayer are not aligned uniformly at slightly different depth, in order to avoid the strong repulsive forces between the strong -CN dipoles. The SFG-VS spectra of the O-H stretches at C18CN Langmuir monolayer is similar to those of the 4''-n-pentyl-4-cyano-p-terphenyl (5CT) monolayer, indicating complete exclusion of the water molecules from the C18CN Langmuir monolayer, but significantly different from those of the 4''-n-octyl-4-p-cyanobiphenyl (8CB) monolayer, as well as those of the air/acetonitrile aqueous solution interface. Different from previous held understandings, these results suggest that the structure of the insoluble long-chain C18CN Langmuir monolayer is significantly different from that of the Gibbs adsorption layer of the short chain soluble acetonitrile or propanenitrile aqueous

  10. 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

  11. Analysis of methods for calculating the transition frequencies of the torsional vibration of acrolein isomers in the ground ( S 0) electronic state

    NASA Astrophysics Data System (ADS)

    Koroleva, L. A.; Tyulin, V. I.; Matveev, V. K.; Pentin, Yu. A.

    2013-05-01

    B3LYP, MP2, CCSD(T), and MP4/MP2 in the 6-311G( d, p), 6-311++G( d, p), cc-pVTZ, aug-cc-pVTZ bases used to calculate the transition frequencies of torsional vibration of trans- and cis-isomers of acrolein in the ground electronic state ( S 0) are analyzed. It is found that for trans-isomers, all methods of calculation except for B3LYP in the cc-pVTZ basis yield good agreement between the calculated and experimental values. It is noted that for the cis-isomer of acrolein, no method of calculation confirms the experimental value of the frequency of torsional vibration (138 cm-1). It is shown that the calculated and experimental values for obertones at 273.0 cm-1 and other transitions of torsional vibration are different for this isomer in particular. However, it is established that in some calculation methods (B3LYP, MP2), the frequency of the torsional vibration of the cis-isomer coincides with another experimental value of this frequency (166.5 cm-1). It is concluded that in analyzing the vibrational structure of the UV spectrum, the calculated and experimental values of its obertone (331.3 cm-1) coincide, along with its frequency. It is also noted that the frequency of torsional vibration for the cis-isomer (166.5 cm-1) can also be found in other experimental works if we change the allocation of torsional transition 18{1/1}.

  12. Preliminary Calibration Report of an Apparatus to Measure Vibration Characteristics of Low Frequency Disturbance Source Devices

    NASA Technical Reports Server (NTRS)

    Russell, James W.; Marshall, Robert A.; Finley, Tom D.; Lawrence, George F.

    1994-01-01

    This report presents a description of the test apparatus and the method of testing the low frequency disturbance source characteristics of small pumps, fans, camera motors, and recorders that are typical of those used in microgravity science facilities. The test apparatus will allow both force and acceleration spectra of these disturbance devices to be obtained from acceleration measurements over the frequency range from 2 to 300 Hz. Some preliminary calibration results are presented.

  13. Testing a simple control law to reduce broadband frequency harmonic vibrations using semi-active tuned mass dampers

    NASA Astrophysics Data System (ADS)

    Moutinho, Carlos

    2015-05-01

    This paper is focused on the control problems related to semi-active tuned mass dampers (TMDs) used to reduce harmonic vibrations, specially involving civil structures. A simplified version of the phase control law is derived and its effectiveness is investigated and evaluated. The objective is to improve the functioning of control systems of this type by simplifying the measurement process and reducing the number of variables involved, making the control system more feasible and reliable. Because the control law is of ON/OFF type, combined with appropriate trigger conditions, the activity of the actuation system may be significantly reduced, which may be of few seconds a day in many practical cases, increasing the durability of the device and reducing its maintenance. Moreover, due to the ability of the control system to command the motion of the inertial mass, the semi-active TMD is relatively insensitive to its initial tuning, resulting in the capability of self-tuning and in the possibility of controlling several vibration modes of a structure over a significant broadband frequency.

  14. Matching Rules for Collective Behaviors on Complex Networks: Optimal Configurations for Vibration Frequencies of Networked Harmonic Oscillators

    PubMed Central

    Zhan, Meng; Liu, Shuai; He, Zhiwei

    2013-01-01

    The structure-dynamics-function has become one of central problems in modern sciences, and it is a great challenge to unveil the organization rules for different dynamical processes on networks. In this work, we study the vibration spectra of the classical mass spring model with different masses on complex networks, and pay our attention to how the mass spatial configuration influences the second-smallest vibrational frequency () and the largest one (). For random networks, we find that becomes maximal and becomes minimal if the node degrees are point-to-point-positively correlated with the masses. In these cases, we call it point-to-point matching. Moreover, becomes minimal under the condition that the heaviest mass is placed on the lowest-degree vertex, and is maximal as long as the lightest mass is placed on the highest-degree vertex, and in both cases all other masses can be arbitrarily settled. Correspondingly, we call it single-point matching. These findings indicate that the matchings between the node dynamics (parameter) and the node position rule the global systems dynamics, and sometimes only one node is enough to control the collective behaviors of the whole system. Therefore, the matching rules might be the common organization rules for collective behaviors on networks. PMID:24386088

  15. Matching rules for collective behaviors on complex networks: optimal configurations for vibration frequencies of networked harmonic oscillators.

    PubMed

    Zhan, Meng; Liu, Shuai; He, Zhiwei

    2013-01-01

    The structure-dynamics-function has become one of central problems in modern sciences, and it is a great challenge to unveil the organization rules for different dynamical processes on networks. In this work, we study the vibration spectra of the classical mass spring model with different masses on complex networks, and pay our attention to how the mass spatial configuration influences the second-smallest vibrational frequency (ω2) and the largest one (ωN). For random networks, we find that ω2 becomes maximal and ωN becomes minimal if the node degrees are point-to-point-positively correlated with the masses. In these cases, we call it point-to-point matching. Moreover, ω2 becomes minimal under the condition that the heaviest mass is placed on the lowest-degree vertex, and ωN is maximal as long as the lightest mass is placed on the highest-degree vertex, and in both cases all other masses can be arbitrarily settled. Correspondingly, we call it single-point matching. These findings indicate that the matchings between the node dynamics (parameter) and the node position rule the global systems dynamics, and sometimes only one node is enough to control the collective behaviors of the whole system. Therefore, the matching rules might be the common organization rules for collective behaviors on networks.

  16. Structure and charging of hydrophobic material/water interfaces studied by phase-sensitive sum-frequency vibrational spectroscopy

    PubMed Central

    Tian, C. S.; Shen, Y. R.

    2009-01-01

    We have studied the hydrophobic water/octadecyltrichlorosilane (OTS) interface by using the phase-sensitive sum-frequency vibrational spectroscopy (PS-SFVS), and we obtained detailed structural information of the interface at the molecular level. Excess ions emerging at the interface were detected by changes of the surface vibrational spectrum induced by the surface field created by the excess ions. Both hydronium (H3O+) and hydroxide (OH−) ions were found to adsorb at the interface, and so did other negative ions such as Cl−. By varying the ion concentrations in the bulk water, their adsorption isotherms were measured. It was seen that among the three, OH− has the highest adsorption energy, and H3O+ has the lowest; OH− also has the highest saturation coverage, and Cl− has the lowest. The result shows that even the neat water/OTS interface is not neutral, but charged with OH− ions. The result also explains the surprising observation that the isoelectric point appeared at ∼3.0 when HCl was used to decrease the pH starting from neat water. PMID:19706483

  17. Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity.

    PubMed

    Sunda, Anurag Prakash; Mondal, Anirban; Balasubramanian, Sundaram

    2015-02-14

    Protic ionic liquids (PILs) are of great interest as electrolytes in various energy applications. Molecular dynamics simulations of trialkylammonium (with varying alkyl group such as methyl, ethyl, and n-propyl) triflate PILs are performed to characterize the influence of the alkyl group on the acidic site (N-H) of the ammonium cation. Spatial distribution function of anions over this site on the cation reveals significant influence of the length of alkyl tail on intermolecular structure. Vibrational density of states and normal modes are calculated for bulk liquids to probe atomic displacements in the far infrared region. The observed N-H···O hydrogen bond stretching vibration in 155-165 cm(-1) frequency region agrees well with experiments. Trends in electrical conductivity calculated using Nernst-Einstein and Green-Kubo relation are in qualitative agreement with experiments. The self-diffusion coefficient and the electrical conductivity is highest for N,N-dimethyl-N-ethylammonium triflate ([N112][TfO]) and is lowest for N,N-di-n-propyl-N-methylammonium triflate ([N133][TfO]) IL.

  18. Sum Frequency Generation Vibrational Spectroscopy of Adsorbed Amino Acids, Peptides and Proteins of Hydrophilic and Hydrophobic Solid-Water Interfaces

    SciTech Connect

    Holinga IV, George Joseph

    2010-09-01

    Sum frequency generation (SFG) vibrational spectroscopy was used to investigate the interfacial properties of several amino acids, peptides, and proteins adsorbed at the hydrophilic polystyrene solid-liquid and the hydrophobic silica solid-liquid interfaces. The influence of experimental geometry on the sensitivity and resolution of the SFG vibrational spectroscopy technique was investigated both theoretically and experimentally. SFG was implemented to investigate the adsorption and organization of eight individual amino acids at model hydrophilic and hydrophobic surfaces under physiological conditions. Biointerface studies were conducted using a combination of SFG and quartz crystal microbalance (QCM) comparing the interfacial structure and concentration of two amino acids and their corresponding homopeptides at two model liquid-solid interfaces as a function of their concentration in aqueous solutions. The influence of temperature, concentration, equilibration time, and electrical bias on the extent of adsorption and interfacial structure of biomolecules were explored at the liquid-solid interface via QCM and SFG. QCM was utilized to quantify the biological activity of heparin functionalized surfaces. A novel optical parametric amplifier was developed and utilized in SFG experiments to investigate the secondary structure of an adsorbed model peptide at the solid-liquid interface.

  19. Variation of CH Stretch Frequencies with CH_4 Orientation in the CH_4 - F^- Complex: Multiple Resonances as Vibrational Conical Intersections

    NASA Astrophysics Data System (ADS)

    Thapaliya, Bishnu P.; Perry, David S.

    2016-06-01

    In the CH_4 - F^- complex, an adiabatic separation of the CH stretch frequencies from the CH_4 orientational coordinates allows the calculation of the four adiabatic CH stretch surfaces. These ab initio calculations reveal (i) a large variation of CH stretch frequencies (> 100 wn) in the orientational space and (ii) the existence of four symmetrically equivalent sets of vibrational conical intersections (CIs). Two sets of symmetry-allowed CIs are identified in addition to the symmetry-required CIs at the front- and back-side C3v geometries. These results have implications for the evolution of excited CH vibrations in methane during its approach to a potentially reactive surface.

  20. Elucidation of molecular structures at buried polymer interfaces and biological interfaces using sum frequency generation vibrational spectroscopy

    PubMed Central

    Zhang, Chi; Myers, John; Chen, Zhan

    2013-01-01

    Sum frequency generation (SFG) vibrational spectroscopy has been developed into an important technique to study surfaces and interfaces. It can probe buried interfaces in situ and provide molecular level structural information such as the presence of various chemical moieties, quantitative molecular functional group orientation, and time dependent kinetics or dynamics at such interfaces. This paper focuses on these three most important advantages of SFG and reviews some of the recent progress in SFG studies on interfaces related to polymer materials and biomolecules. The results discussed here demonstrate that SFG can provide important molecular structural information of buried interfaces in situ and in real time, which is difficult to obtain by other surface sensitive analytical techniques. PMID:23710244

  1. Effect of nanoscale geometry on molecular conformation: vibrational sum-frequency generation of alkanethiols on gold nanoparticles.

    PubMed

    Weeraman, Champika; Yatawara, Achani K; Bordenyuk, Andrey N; Benderskii, Alexander V

    2006-11-08

    Vibrational sum frequency generation (VSFG) spectroscopy was used to study the nanoscale geometric effects on molecular conformation of dodecanethiol ligand on gold nanoparticles of varying size between 1.8 and 23 nm. By analyzing the CH3 and CH2 stretch transitions of dodecanethiol using the spectroscopic propensity rules for the SFG process, we observe the increase of the gauche defects in the alkyl chain of the ligand on the nanoparticle surface when the curvature approaches the size of the molecule ( approximately 1.6 nm). In contrast, linear infrared absorption and Raman spectra, governed by different selection rules, do not allow observation of the size-dependent conformational changes. The results are understood in terms of the geometric packing effect, where the curvature of the nanoparticle surface results in the increased conical volume available for the alkyl chain.

  2. Quantification of crystalline cellulose in lignocellulosic biomass using sum frequency generation (SFG) vibration spectroscopy and comparison with other analytical methods.

    PubMed

    Barnette, Anna L; Lee, Christopher; Bradley, Laura C; Schreiner, Edward P; Park, Yong Bum; Shin, Heenae; Cosgrove, Daniel J; Park, Sunkyu; Kim, Seong H

    2012-07-01

    The non-centrosymmetry requirement of sum frequency generation (SFG) vibration spectroscopy allows the detection and quantification of crystalline cellulose in lignocellulose biomass without spectral interferences from hemicelluloses and lignin. This paper shows a correlation between the amount of crystalline cellulose in biomass and the SFG signal intensity. Model biomass samples were prepared by mixing commercially available cellulose, xylan, and lignin to defined concentrations. The SFG signal intensity was found sensitive to a wide range of crystallinity, but varied non-linearly with the mass fraction of cellulose in the samples. This might be due to the matrix effects such as light scattering and absorption by xylan and lignin, as well as the non-linear density dependence of the SFG process itself. Comparison with other techniques such as XRD, FT-Raman, FT-IR and NMR demonstrate that SFG can be a complementary and sensitive tool to assess crystalline cellulose in biomass.

  3. Mid-IR beam direction stabilization scheme for vibrational spectroscopy, including dual-frequency 2DIR.

    PubMed

    Nyby, Clara M; Leger, Joel D; Tang, Jianan; Varner, Clyde; Kireev, Victor V; Rubtsov, Igor V

    2014-03-24

    A compact laser beam direction stabilization scheme is developed that provides the angular stability of better than 50 μrad over a wide range of frequencies from 800 to 4000 cm-1. The schematic is fully automated and features a single MCT quadrant detector. The schematic was tested to stabilize directions of the two IR beams used for dual-frequency two-dimensional infrared (2DIR) measurements and showed excellent results: automatic tuning of the beam direction allowed achieving the alignment quality within 10% of the optimal alignment obtained manually. The schematic can be easily implemented to any nonlinear spectroscopic measurements in the mid-IR spectral region.

  4. 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

  5. Low-frequency, low-magnitude vibrations (LFLM) enhances chondrogenic differentiation potential of human adipose derived mesenchymal stromal stem cells (hASCs)

    PubMed Central

    Lewandowski, Daniel; Tomaszewski, Krzysztof A.; Henry, Brandon M.; Golec, Edward B.; Marędziak, Monika

    2016-01-01

    The aim of this study was to evaluate if low-frequency, low-magnitude vibrations (LFLM) could enhance chondrogenic differentiation potential of human adipose derived mesenchymal stem cells (hASCs) with simultaneous inhibition of their adipogenic properties for biomedical purposes. We developed a prototype device that induces low-magnitude (0.3 g) low-frequency vibrations with the following frequencies: 25, 35 and 45 Hz. Afterwards, we used human adipose derived mesenchymal stem cell (hASCS), to investigate their cellular response to the mechanical signals. We have also evaluated hASCs morphological and proliferative activity changes in response to each frequency. Induction of chondrogenesis in hASCs, under the influence of a 35 Hz signal leads to most effective and stable cartilaginous tissue formation through highest secretion of Bone Morphogenetic Protein 2 (BMP-2), and Collagen type II, with low concentration of Collagen type I. These results correlated well with appropriate gene expression level. Simultaneously, we observed significant up-regulation of α3, α4, β1 and β3 integrins in chondroblast progenitor cells treated with 35 Hz vibrations, as well as Sox-9. Interestingly, we noticed that application of 35 Hz frequencies significantly inhibited adipogenesis of hASCs. The obtained results suggest that application of LFLM vibrations together with stem cell therapy might be a promising tool in cartilage regeneration. PMID:26966645

  6. Low-frequency, low-magnitude vibrations (LFLM) enhances chondrogenic differentiation potential of human adipose derived mesenchymal stromal stem cells (hASCs).

    PubMed

    Marycz, Krzysztof; Lewandowski, Daniel; Tomaszewski, Krzysztof A; Henry, Brandon M; Golec, Edward B; Marędziak, Monika

    2016-01-01

    The aim of this study was to evaluate if low-frequency, low-magnitude vibrations (LFLM) could enhance chondrogenic differentiation potential of human adipose derived mesenchymal stem cells (hASCs) with simultaneous inhibition of their adipogenic properties for biomedical purposes. We developed a prototype device that induces low-magnitude (0.3 g) low-frequency vibrations with the following frequencies: 25, 35 and 45 Hz. Afterwards, we used human adipose derived mesenchymal stem cell (hASCS), to investigate their cellular response to the mechanical signals. We have also evaluated hASCs morphological and proliferative activity changes in response to each frequency. Induction of chondrogenesis in hASCs, under the influence of a 35 Hz signal leads to most effective and stable cartilaginous tissue formation through highest secretion of Bone Morphogenetic Protein 2 (BMP-2), and Collagen type II, with low concentration of Collagen type I. These results correlated well with appropriate gene expression level. Simultaneously, we observed significant up-regulation of α3, α4, β1 and β3 integrins in chondroblast progenitor cells treated with 35 Hz vibrations, as well as Sox-9. Interestingly, we noticed that application of 35 Hz frequencies significantly inhibited adipogenesis of hASCs. The obtained results suggest that application of LFLM vibrations together with stem cell therapy might be a promising tool in cartilage regeneration.

  7. Good Vibrations: Cross-Frequency Coupling in the Human Nucleus Accumbens during Reward Processing

    ERIC Educational Resources Information Center

    Cohen, Michael X.; Axmacher, Nikolai; Lenartz, Doris; Elger, Christian E.; Sturm, Volker; Schlaepfer, Thomas E.

    2009-01-01

    The nucleus accumbens is critical for reward-guided learning and decision-making. It is thought to "gate" the flow of a diverse range of information (e.g., rewarding, aversive, and novel events) from limbic afferents to basal ganglia outputs. Gating and information encoding may be achieved via cross-frequency coupling, in which bursts of…

  8. Analysis of the dominant vibration frequencies of rail bridges for structure-borne noise using a power flow method

    NASA Astrophysics Data System (ADS)

    Li, Q.; Wu, D. J.

    2013-09-01

    The use of concrete bridges in urban rail transit systems has raised many concerns regarding low-frequency (20-200 Hz) structure-borne noise due to the vibration of bridges when subjected to moving trains. Understanding the mechanism that determines the dominant frequencies of bridge vibrations is essential for both vibration and noise reduction. This paper presents a general procedure based on the force method to obtain the power flows within a coupled vehicle-track-bridge system, the point mobility of the system and the dynamic interaction forces connecting various components. The general coupling system consists of multi-rigid-bodies for the vehicles, infinite Euler beams representing the rails, two-dimensional or three-dimensional elements of the concrete bridges, and spring-dashpot pairs to model the wheel-rail contacts, the vehicle suspensions, the rail pads and the bridge bearings. The dynamic interaction of the coupled system is solved in the frequency domain by assuming the combined wheel-rail roughness moves forward relative to the stationary vehicles. The proposed procedure is first applied to a rail on discrete supports and then to a real urban rail transit U-shaped concrete bridge. The computed results show that the wheel-rail contact forces, the power flows to the rail/bridge subsystem and the accelerations of the bridge are primarily dominated by the contents around the natural frequency of a single wheel adhered to the elastically supported rail. If the ath node of the mth spring-dashpot pair and the bth node of the nth spring-dashpot pair are connected to the same rigid body, then δmnab(ω) can be expressed as δmnab(ω)=-{(}/{Mlω}, where Ml is the mass of the lth rigid body. If the ath node of the mth spring-dashpot pair and the bth node of the nth spring-dashpot pair are connected to the same infinite rail, δmnab(ω) can be expressed as [8] δmnab(ω)=-j{((e-je)}/{4EIk}, where xm and xn are the x-coordinates of the mth and nth spring

  9. Intramolecular interactions, isomerization and vibrational frequencies of two paracetamol analogues: A spectroscopic and a computational approach

    NASA Astrophysics Data System (ADS)

    Viana, Rommel B.; Ribeiro, Gabriela L. O.; Santos, Sinara F. F.; Quintero, David E.; Viana, Anderson B.; da Silva, Albérico B. F.; Moreno-Fuquen, Rodolfo

    2016-06-01

    The aim of this investigation was to determine the molecular properties and provide an interpretation of the vibrational mode couplings of these two paracetamol analogues: 2-bromo-2-methyl-N-(4-nitrophenyl)-propanamide and 2-bromo-2-methyl-N-p-tolyl-propanamide. E/Z isomers, keto/enol unimolecular rearrangement and prediction of the transition state structures in each mechanism were also assessed using the Density Functional Theory (DFT). The DFT estimates a high energy gap between E and Z isomers (9-11 kcal·mol- 1), with barrier heights ranging from 16 to 19 kcal·mol- 1. In contrast, the barrier energies on the keto/enol isomerization are almost 10 kcal·mol- 1 higher than those estimated for the E/Z rearrangement. The kinetic rate constant was also determined for each reaction mechanism. Natural bond orbital analysis and the quantum theory of atoms in molecules were used to interpret the intramolecular hydrogen bonds and to understand the most important interactions that govern the stabilization of each isomer. Furthermore, an analysis of the atomic charge distribution using different population methodologies was also performed.

  10. Ab initio calculations of vibrational frequencies and infrared intensities for global warning potential of CFC substitutes. CF{sub 3}CH{sub 2}F (HFC-134a)

    SciTech Connect

    Papasavva, S.; Tai, S.; Esslinger, A.; Illinger, K.H.; Kenny, J.E.

    1995-03-16

    We have investigated the feasibility of using ab initio molecular orbital methods for predicting the global warming potential of the proposed chlorofluorocarbon (CFC) substitute CF{sub 3}CH{sub 2}F, HFC-134a. Various levels of theory and basis sets were used to optimize geometry and calculate harmonic vibrational frequencies and infrared intensities for the molecule using the GAUSSIAN 92 software package. In attempting to assess the quality of the computations, we found it necessary to reconsider the vibrational assignments available in the literature. On the basis of the current assignment, we find that for the highest level calculation, MP2/6-31G{sup **}, the calculated harmonic frequencies agree extremely well with the experimentally observed ones at frequencies below 800 cm{sup {minus}1}, with a systematic error toward higher calculated frequencies becoming apparent above 800 cm{sup {minus}1}. At lower levels of theory, the systematic error is apparent at all frequencies. The regularity of the deviation between calculated and observed frequencies makes ab initio calculations of vibrational frequencies much more useful than semiempirical calculations, which tend to show random deviations, as demonstrated with a PM3-UHF calculation in this work. The calculated absolute intensities are in good agreement with the limited experimental measurements previously reported. 23 refs., 3 figs., 5 tabs.

  11. Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng = Kr and Xe)

    SciTech Connect

    Kalinowski, Jaroslaw; Räsänen, Markku; Lignell, Antti; Khriachtchev, Leonid; Gerber, R. Benny

    2014-03-07

    We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H−Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H−Xe stretching frequencies of HXeCl in different matrices is ν(Ne) < ν(Xe) < ν(Kr) < ν(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the “classical” order observed for HCl: ν(Xe) < ν(Kr) < ν(Ar) < ν(Ne). The order of the H−Kr stretching frequencies of HKrCl is consistently ν(Kr) < ν(Ar). These matrix effects are analyzed theoretically by using a number of quantum chemical methods. The calculations on these molecules (HCl, HXeCl, and HKrCl) embedded in single Ng{sup ′} layer cages lead to very satisfactory results with respect to the relative matrix shifts in the case of the MP4(SDQ) method whereas the B3LYP-D and MP2 methods fail to fully reproduce these experimental results. The obtained order of frequencies is discussed in terms of the size available for the Ng hydrides in the cages, probably leading to different stresses on the embedded molecule. Taking into account vibrational anharmonicity produces a good agreement of the MP4(SDQ) frequencies of HCl and HXeCl with the experimental values in different matrices. This work also highlights a number of open questions in the field.

  12. Coherence Spectroscopy Investigations of the Low-Frequency Vibrations of Heme: Effects of Protein-Specific Perturbations

    PubMed Central

    Gruia, Flaviu; Kubo, Minoru; Ye, Xiong; Ionascu, Dan; Lu, Changyuan; Poole, Robert K.; Yeh, Syun-Ru; Champion, Paul M.

    2009-01-01

    Femtosecond coherence spectroscopy is used to probe the low-frequency (20–200 cm−1) vibrational modes of heme proteins in solution. Horseradish peroxidase (HRP), myoglobin (Mb), and Campylobacter jejuni globin (Cgb) are compared and significant differences in the coherence spectra are revealed. It is concluded that hydrogen bonding and ligand charge do not strongly affect the low-frequency coherence spectra and that protein-specific deformations of the heme group lower its symmetry and control the relative spectral intensities. Such deformations potentially provide a means for proteins to tune heme reaction coordinates, so that they can perform a broad array of specific functions. Native HRP displays complex spectral behavior above ~50 cm−1 and very weak activity below ~50 cm−1. Binding of the substrate analog, benzhydroxamic acid, leads to distinct changes in the coherence and Raman spectra of HRP that are consistent with the stabilization of a heme water ligand. The CN derivatives of the three proteins are studied to make comparisons under conditions of uniform heme coordination and spin-state. MbCN is dominated by a doming mode near 40 cm−1, while HRPCN displays a strong oscillation at higher frequency (96 cm−1) that can be correlated with the saddling distortion observed in the X-ray structure. In contrast, CgbCN displays low-frequency coherence spectra that contain strong modes near 30 and 80 cm−1, probably associated with a combination of heme doming and ruffling. HRPNO displays a strong doming mode near 40 cm−1 that is activated by photolysis. The damping of the coherent motions is significantly reduced when the heme is shielded from solvent fluctuations by the protein material and reduced still further when T ≲ 50 K, as pure dephasing processes due to the protein–solvent phonon bath are frozen out. PMID:18355013

  13. Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng = Kr and Xe)

    NASA Astrophysics Data System (ADS)

    Kalinowski, Jaroslaw; Gerber, R. Benny; Räsänen, Markku; Lignell, Antti; Khriachtchev, Leonid

    2014-03-01

    We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H-Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H-Xe stretching frequencies of HXeCl in different matrices is ν(Ne) < ν(Xe) < ν(Kr) < ν(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the "classical" order observed for HCl: ν(Xe) < ν(Kr) < ν(Ar) < ν(Ne). The order of the H-Kr stretching frequencies of HKrCl is consistently ν(Kr) < ν(Ar). These matrix effects are analyzed theoretically by using a number of quantum chemical methods. The calculations on these molecules (HCl, HXeCl, and HKrCl) embedded in single Ng' layer cages lead to very satisfactory results with respect to the relative matrix shifts in the case of the MP4(SDQ) method whereas the B3LYP-D and MP2 methods fail to fully reproduce these experimental results. The obtained order of frequencies is discussed in terms of the size available for the Ng hydrides in the cages, probably leading to different stresses on the embedded molecule. Taking into account vibrational anharmonicity produces a good agreement of the MP4(SDQ) frequencies of HCl and HXeCl with the experimental values in different matrices. This work also highlights a number of open questions in the field.

  14. Matrix effect on vibrational frequencies: experiments and simulations for HCl and HNgCl (Ng = Kr and Xe).

    PubMed

    Kalinowski, Jaroslaw; Gerber, R Benny; Räsänen, Markku; Lignell, Antti; Khriachtchev, Leonid

    2014-03-07

    We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H-Xe stretching bands of HXeCl are now known in four Ng matrices (Ne, Ar, Kr, and Xe), and HKrCl is now known in Ar and Kr matrices. The order of the H-Xe stretching frequencies of HXeCl in different matrices is ν(Ne) < ν(Xe) < ν(Kr) < ν(Ar), which is a non-monotonous function of the dielectric constant, in contrast to the "classical" order observed for HCl: ν(Xe) < ν(Kr) < ν(Ar) < ν(Ne). The order of the H-Kr stretching frequencies of HKrCl is consistently ν(Kr) < ν(Ar). These matrix effects are analyzed theoretically by using a number of quantum chemical methods. The calculations on these molecules (HCl, HXeCl, and HKrCl) embedded in single Ng(') layer cages lead to very satisfactory results with respect to the relative matrix shifts in the case of the MP4(SDQ) method whereas the B3LYP-D and MP2 methods fail to fully reproduce these experimental results. The obtained order of frequencies is discussed in terms of the size available for the Ng hydrides in the cages, probably leading to different stresses on the embedded molecule. Taking into account vibrational anharmonicity produces a good agreement of the MP4(SDQ) frequencies of HCl and HXeCl with the experimental values in different matrices. This work also highlights a number of open questions in the field.

  15. Feasibility of controlling speed-dependent low-frequency brake vibration amplification by modulating actuation pressure

    NASA Astrophysics Data System (ADS)

    Sen, Osman Taha; Dreyer, Jason T.; Singh, Rajendra

    2014-12-01

    In this article, a feasibility study of controlling the low frequency torque response of a disc brake system with modulated actuation pressure (in the open loop mode) is conducted. First, a quasi-linear model of the torsional system is introduced, and analytical solutions are proposed to incorporate the modulation effect. Tractable expressions for three different modulation schemes are obtained, and conditions that would lead to a reduction in the oscillatory amplitudes are identified. Second, these conditions are evaluated with a numerical model of the torsional system with clearance nonlinearity, and analytical solutions are verified in terms of the trends observed. Finally, a laboratory experiment with a solenoid valve is built to modulate actuation pressure with a constant duty cycle, and time-frequency domain data are acquired. Measurements are utilized to assess analytical observations, and all methods show that the speed-dependent brake torque amplitudes can be altered with an appropriate modulation of actuation pressure.

  16. Cross-Sectional Deformations of Monocoque Beams and Their Effects on the Natural Vibration Frequencies

    NASA Technical Reports Server (NTRS)

    Thomson, Robert G.; Kruszewski, Edwin T.

    1961-01-01

    The variational principle, differential equations, and boundary conditions governing the cross-sectional distortions due to inertia loading of a two-dimensional model of a thin monocoque wing are shown. A theoretical analysis of this simplified model is made in order to determine the nature of the coupling between the cross-sectional modes and the spanwise deformation modes. General solutions are obtained in finite-difference form for arbitrary cross sections and an exact solution is presented for a parabolic-arc cross section of constant cover thickness. The application of these results in evaluating the coupled frequencies of the actual structure is discussed. Frequencies evaluated for a parabolic-arc monocoque beam show good agreement with experimental values.

  17. Vibrational sum frequency generation (SFG) spectroscopic study of crystalline cellulose in biomass

    NASA Astrophysics Data System (ADS)

    Kim, Seong H.; Lee, Christopher M.; Kafle, Kabindra; Park, Yong Bum; Xi, Xiaoning

    2013-09-01

    The noncentrosymmetry requirement of sum frequency generation (SFG) spectroscopy allows selective detection of crystalline cellulose in plant cell walls and lignocellulose biomass without spectral interferences from hemicelluloses and lignin. In addition, the phase synchronization requirement of the SFG process allows noninvasive investigation of spatial arrangement of crystalline cellulose microfibrils in the sample. This paper reviews how these principles are applied to reveal structural information of crystalline cellulose in plant cell walls and biomass.

  18. Remote-Controlled Rotorcraft Blade Vibration and Modal Analysis at Low Frequencies

    DTIC Science & Technology

    2016-02-01

    unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT Health and usage monitoring systems (HUMSs) collect sensor data from vehicle mechanical systems...the vehicle. This HUMS study collects sensor data on a blade removed from a remote- controlled rotorcraft as a surrogate for a full-size rotorcraft...that accelerometers can be used to ascertain the natural frequencies of these blades, such that vibratory testing can be controlled and used to

  19. Low Frequency Vibration Characteristics of the Space Acceleration Measurement System 2 Tape Drive Assembly

    NASA Technical Reports Server (NTRS)

    Javeed, Mehzad; Russell, James W.

    1996-01-01

    This report summarizes results of force and moment measurements of the Space Acceleration Measurement System 2 (SAMS 2) Tape Drive Assembly (TDA) over the frequency range from 0.35 Hz to 256 Hz for steady state operations including write, read, rewind, and fast forward. Time domain force results are presented for transient TDA operations that include software eject, manual eject, and manual load. Three different mounting configurations were employed for attaching the inner box with the tape drive unit to the outer box. Two configurations employed grommet sets with spring rates of 42 and 62 pounds per inch respectively. The third configuration employed a set of metallic washers. For all four steady state operations the largest average forces were on the Y axis with the metallic washers and were less than 0.005 pounds. The largest average moments were on the X axes with the washers and were less than 0.030 pound inches. At the third octave centerband frequency of 31.5 Hz, the 42 pound per inch grommets showed the greatest forces and moments for read and write operations. At the third octave centerband frequency of 49.6 Hz, the 62 pound per inch grommets showed the greatest forces and moments for rewind operation. Transient operation forces ranged from 0.75 pounds for the software eject to greater than 1 pound for manual load and eject.

  20. Low-frequency vibrational modes of DL-homocysteic acid and related compounds.

    PubMed

    Yang, Limin; Zhao, Guozhong; Li, Weihong; Liu, Yufeng; Shi, Xiaoxi; Jia, Xinfeng; Zhao, Kui; Lu, Xiangyang; Xu, Yizhuang; Xie, Datao; Wu, Jinguang; Chen, Jia'er

    2009-09-01

    In this paper several polycrystalline molecules with sulfonate groups and some of their metal complexes, including DL-homocysteic acid (DLH) and its Sr- and Cu-complexes, pyridine-3-sulphonic acid and its Co- and Ni-complexes, sulfanilic acid and L-cysteic acid were investigated using THz time-domain methods at room temperature. The results of THz absorption spectra show that the molecules have characteristic bands in the region of 0.2-2.7 THz (6-90 cm(-1)). THz technique can be used to distinguish different molecules with sulfonate groups and to determine the bonding of metal ions and the changes of hydrogen bond networks. In the THz region DLH has three bands: 1.61, 1.93 and 2.02 THz; and 0.85, 1.23 and 1.73 THz for Sr-DLH complex, 1.94 THz for Cu-DLH complex, respectively. The absorption bands of pyridine-3-sulphonic acid are located at 0.81, 1.66 and 2.34 THz; the bands at 0.96, 1.70 and 2.38 THz for its Co-complex, 0.76, 1.26 and 1.87 THz for its Ni-complex. Sulphanilic acid has three bands: 0.97, 1.46 and 2.05 THz; and the absorption bands of l-cysteic acid are at 0.82, 1.62, 1.87 and 2.07 THz, respectively. The THz absorption spectra after complexation are different from the ligands, which indicate the bonding of metal ions and the changes of hydrogen bond networks. M-O and other vibrations appear in the FIR region for those metal-ligand complexes. The bands in the THz region were assigned to the rocking, torsion, rotation, wagging and other modes of different groups in the molecules. Preliminary assignments of the bands were carried out using Gaussian program calculation.

  1. Quantum mechanical interpretation of intermolecular vibrational modes of crystalline poly-(R)-3-hydroxybutyrate observed in low-frequency Raman and terahertz spectra.

    PubMed

    Yamamoto, Shigeki; Morisawa, Yusuke; Sato, Harumi; Hoshina, Hiromichi; Ozaki, Yukihiro

    2013-02-21

    Low-frequency vibrational bands observed in the Raman and terahertz (THz) spectra in the region of 50-150 cm(-1) of crystalline powder poly-(R)-3-hydroxybutyrate (PHB) were assigned based on comparisons of the Raman and THz spectra, polarization directions of THz absorption spectra, and their congruities to quantum mechanically (QM) calculated spectra. This combination, Raman and THz spectroscopies and the QM simulations, has been rarely adopted in spite of its potential of reliable assignments of the vibrational bands. The QM simulation of a spectrum has already been popular in vibrational spectroscopies, but for low-frequency bands of polymers it is still a difficult task due to its large scales of systems and a fact that interactions among polymer chains should be considered in the calculation. In this study, the spectral calculations with the aid of the Cartesian-coordinate tensor transfer (CCT) method were applied successfully to the crystalline PHB, which include the explicit consideration of an intermolecular interaction among helical polymer chains. The agreements between the calculations and the experiments are good in both the Raman and THz spectra in terms of spectral shapes, frequencies, and intensities. A Raman active band at 79 cm(-1) was assigned to the intermolecular vibrational mode of the out-of-plane C═O + CH(3) vibration. A polarization state of the corresponding far-infrared absorption band at ∼82 cm(-1), perpendicular to the helix-elongation direction of PHB, was reproduced only under the explicit correction, which indicates that this polarized band originates from the interaction among the polymer chains. The calculation explored that the polarization direction of this band was along the a axis, which is consistent with the direction in which weak intermolecular hydrogen bonds are suggested between the C═O and CH(3) groups of two parallel polymer chains. The results obtained here have confirmed sensitivity of the low-frequency

  2. Crack modelling and detection in Timoshenko FGM beam under transverse vibration using frequency contour and response surface model with GA

    NASA Astrophysics Data System (ADS)

    Banerjee, Amit; Panigrahi, Brajesh; Pohit, G.

    2016-04-01

    In the present work, dynamic response of cracked Timoshenko beam with functionally graded material properties are obtained by a numerical technique using Ritz approximation. In order to verify the applicability and performance of the formulation, comparisons of the present numerical method with three-dimensional FEM models are made. Crack is assumed to be transverse and open throughout the vibration cycle. Two different crack detection techniques have been proposed. Results obtained by the numerical technique are used in both of the crack detection techniques. In the first technique, the frequency contours with respect to crack location and size are plotted and the intersection of contours of different modes helps in the prediction of crack location and size. In the second technique, crack is modelled using response surface methodology (RSM). The sum of the squared errors between the numerical and RSM regression model natural frequencies is used as the objective function. This objective function is minimised using genetic algorithm optimisation technique. Both the crack detection techniques and the numerical analysis have shown good agreement with each other.

  3. (H2O)2(g): Monomer/dimer vibrational frequency shifts in Bopp-Jancsó-Heinzinger- and Matsuoka-Clementi-Yoshimine-Lie-type flexible potentials

    NASA Astrophysics Data System (ADS)

    Slanina, Zdeněk

    1991-01-01

    Harmonic vibrational analysis of the water dimer is reported for four BJH- and four MCYL-type flexible water-water potentials. The calculated monomer/dimer frequency shifts correspond reasonably well to the available observed terms, the BJH-type flexible potentials (with the gas-phase intramolecular potential) yielding a slightly better agreement.

  4. Power links with Ireland -- Excitation of turbine-generator shaft torsional vibrations by variable frequency currents superimposed on DC currents in asynchronous HVDC links

    SciTech Connect

    Hammons, T.J.; Tay, B.W.; Kok, K.L.

    1995-08-01

    The paper describes an in-depth analysis of excitation of shaft torsional vibrations in steam-turbine-generator-exciter shafts in close proximity to HVDC converter stations by variable-frequency ripple currents superimposed on the DC currents in asynchronous Links. It extends earlier work to include an in depth analysis of system scaling factors for harmonic currents impressed on generators in Northern Ireland by an inverter and to investigate the phenomena for possible torsional vibrations in the generators by the Link. Frequencies at which shaft torsional vibrations would be excited by modulation product harmonics in 50Hz/50Hz asynchronous Links as a function of deviation in system frequency is reviewed. Relative noncharacteristic current levels for 50Hz/50Hz connectors are illustrated assuming ripple currents at the inverter which gives realistic harmonic voltages in a twelve-pulse bridge. The paper then shows that torques in machines in multi-machine networks may be estimated by proportioning HVDC link harmonic disturbance current appropriately to each machine at risk. It is concluded that variable-frequency ripple currents superimposed on the DC current in asynchronous links can excite sympathetic torsional vibrations in turbine-generator-exciter shafts.

  5. The differentiation of human adipose-derived stem cells (hASCs) into osteoblasts is promoted by low amplitude, high frequency vibration treatment.

    PubMed

    Prè, D; Ceccarelli, G; Gastaldi, G; Asti, A; Saino, E; Visai, L; Benazzo, F; Cusella De Angelis, M G; Magenes, G

    2011-08-01

    Several studies have demonstrated that tissue culture conditions influence the differentiation of human adipose-derived stem cells (hASCs). Recently, studies performed on SAOS-2 and bone marrow stromal cells (BMSCs) have shown the effectiveness of high frequency vibration treatment on cell differentiation to osteoblasts. The aim of this study was to evaluate the effects of low amplitude, high frequency vibrations on the differentiation of hASCs toward bone tissue. In view of this goal, hASCs were cultured in proliferative or osteogenic media and stimulated daily at 30Hz for 45min for 28days. The state of calcification of the extracellular matrix was determined using the alizarin assay, while the expression of extracellular matrix and associated mRNA was determined by ELISA assays and quantitative RT-PCR (qRT-PCR). The results showed the osteogenic effect of high frequency vibration treatment in the early stages of hASC differentiation (after 14 and 21days). On the contrary, no additional significant differences were observed after 28days cell culture. Transmission Electron Microscopy (TEM) images performed on 21day samples showed evidence of structured collagen fibers in the treated samples. All together, these results demonstrate the effectiveness of high frequency vibration treatment on hASC differentiation toward osteoblasts.

  6. 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.

  7. 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.

  8. Atomization off thin water films generated by high-frequency substrate wave vibrations

    NASA Astrophysics Data System (ADS)

    Collins, David J.; Manor, Ofer; Winkler, Andreas; Schmidt, Hagen; Friend, James R.; Yeo, Leslie Y.

    2012-11-01

    Generating aerosol droplets via the atomization of thin aqueous films with high frequency surface acoustic waves (SAWs) offers several advantages over existing nebulization methods, particularly for pulmonary drug delivery, offering droplet sizes in the 1-5-μm range ideal for effective pulmonary therapy. Nevertheless, the physics underlying SAW atomization is not well understood, especially in the context of thin liquid film formation and spreading and how this affects the aerosol production. Here, we demonstrate that the film geometry, governed primarily by the applied power and frequency of the SAW, indeed plays a crucial role in the atomization process and, in particular, the size of the atomized droplets. In contrast to the continuous spreading of low surface energy liquids atop similar platforms, high surface energy liquids such as water, in the present case, are found to undergo transient spreading due to the SAW to form a quasisteady film whose height is determined by self-selection of the energy minimum state associated with the acoustic resonance in the film and whose length arises from a competition between acoustic streaming and capillary effects. This is elucidated from a fundamental model for the thin film spreading behavior under SAW excitation, from which we show good agreement between the experimentally measured and theoretically predicted droplet dimension, both of which consistently indicate a linear relationship between the droplet diameter and the mechanical power coupled into the liquid by the SAW (the latter captured by an acoustic Weber number to the two thirds power, and the reciprocal of the SAW frequency).

  9. Atomization off thin water films generated by high-frequency substrate wave vibrations.

    PubMed

    Collins, David J; Manor, Ofer; Winkler, Andreas; Schmidt, Hagen; Friend, James R; Yeo, Leslie Y

    2012-11-01

    Generating aerosol droplets via the atomization of thin aqueous films with high frequency surface acoustic waves (SAWs) offers several advantages over existing nebulization methods, particularly for pulmonary drug delivery, offering droplet sizes in the 1-5-μm range ideal for effective pulmonary therapy. Nevertheless, the physics underlying SAW atomization is not well understood, especially in the context of thin liquid film formation and spreading and how this affects the aerosol production. Here, we demonstrate that the film geometry, governed primarily by the applied power and frequency of the SAW, indeed plays a crucial role in the atomization process and, in particular, the size of the atomized droplets. In contrast to the continuous spreading of low surface energy liquids atop similar platforms, high surface energy liquids such as water, in the present case, are found to undergo transient spreading due to the SAW to form a quasisteady film whose height is determined by self-selection of the energy minimum state associated with the acoustic resonance in the film and whose length arises from a competition between acoustic streaming and capillary effects. This is elucidated from a fundamental model for the thin film spreading behavior under SAW excitation, from which we show good agreement between the experimentally measured and theoretically predicted droplet dimension, both of which consistently indicate a linear relationship between the droplet diameter and the mechanical power coupled into the liquid by the SAW (the latter captured by an acoustic Weber number to the two thirds power, and the reciprocal of the SAW frequency).

  10. Sum frequency generation (SFQ) vibrational spectroscopy studies of combustion reactions on platinum single crystal surfaces

    SciTech Connect

    Gaughan, Jessica S.

    2004-01-15

    We have studied the dissociation of CO catalyzed by platinum single crystals. At 40 torr of CO, the Pt(111) crystal dissociates CO at 673 K. Under the same conditions, Pt(100) dissociates CO at 500 K, and Pt(557) dissociates CO at 548 K. Hence, the CO dissociation reaction is a structure sensitive reaction. SFG was used to monitor the CO top site resonance as the platinum crystals were heated to the dissociation temperature when exposed to 40 torr of CO. In all three systems, the CO resonance shifts to lower frequency as the platinum crystal is heated. However, the frequency of the CO resonance at the dissociation frequency is lower on the (100) and (111) crystal faces than on the Pt(557) crystal. We believe that the (111) and (100) crystal faces must undergo roughening to expose step or kink sites in order to facilitate the dissociation reaction. This is supported by UHV studies of CO dissociation catalyzed by platinum crystals. These studies observe dissociation only when step or kink sites are present. Since the Pt(111) surface is very stable, it needs to be heated to 673 K to produce the low coordination number sites needed for CO dissociation. Since the Pt(100) surface easily reconstructs, it is able to form the active sites for CO dissociation at relatively low temperatures. The SFG spectra support our conclusion that the CO molecules are sitting on low coordination number platinum atoms at the dissociation temperature. Since the Pt(557) surface already has step sites, the dissociation reaction can take place without further roughening of the surface. The CO resonance on the (557) crystal face at the dissociation temperature is at a very similar frequency to CO molecules adsorbed on only the step sites of the crystal. Further studies showed that the dissociation reaction takes place on the (557) surface at CO pressures as low as 1 torr. At 1 torr of CO, the carbon deposition rate is 1.0 x 10-2 ML minute-1. A series of experiments at CO

  11. Vibration testing based on impulse response excited by pulsed-laser ablation: Measurement of frequency response function with detection-free input

    NASA Astrophysics Data System (ADS)

    Hosoya, Naoki; Kajiwara, Itsuro; Hosokawa, Takahiko

    2012-03-01

    We have developed a non-contact vibration-measurement system that is based on impulse excitation by laser ablation (i.e. laser excitation) to measure the high-frequency-vibration characteristics of objects. The proposed method makes it possible to analyse the frequency response function just by measuring the output (acceleration response) of a test object excited by pulsed-laser ablation. This technique does not require detection of the input force. Firstly, using a rigid block, the pulsed-laser-ablation force is calibrated via Newton's second law. Secondly, an experiment is conducted in which an object whose natural frequency lies in the high-frequency domain is excited by pulsed-laser ablation. The complex frequency spectrum obtained by Fourier transform of the measured response is then divided by the estimated pulsed-laser-ablation force. Finally, because of the error involved in the trigger position of the response with respect to the impulse arrival time, the phase of the complex Fourier transform is modified by accounting for the response dead time. The result is the frequency response function of the object. The effectiveness of the proposed method is demonstrated by a vibration test of an aluminium block.

  12. Molecular interactions of organic molecules at the air/water interface investigated by sum frequency generation vibrational spectroscopy.

    PubMed

    Wang, Wenting; Ye, Shuji

    2017-02-08

    The molecular structure and dynamics of organic molecules at the aqueous interface have attracted a number of investigations owing to their importance and specific nature. However, there are relatively few studies on the direct characterization of the molecular interactions at the air/water interface because they are extremely difficult to measure in experiments. In this study, we use dibutyl ester molecules (R1CO2R2O2CR1) as a model of organic molecules, and investigate their molecular structure and interactions using sum frequency generation vibrational spectroscopy. We demonstrate that the molecular interactions can be estimated by measuring the intensity ratio of the symmetric stretching (ν1) and Fermi resonant bands (2ν2) of methyl groups. Here, dibutyl ester molecules are widely used as plasticizers in polymers to improve the properties of the plastics and polymers. It is found that the orientation angles of the tailed methyl groups at the air/water interface decrease from 34° to 19° when the chain length of R2 increases from 0 to 8. The total intermolecular interactions of the dibutyl ester molecules decrease as the chain length of R2 increases because the van der Waals interactions between the hydrocarbon chains increase, while the hydrogen bond interactions between the carbonyl group and water molecules decrease. Our study demonstrates the stability of ester-based plasticizers in polymers can be well predicted from the intensity ratio of the ν1 and 2ν2 bands of methyl group. Such an intensity ratio can be thus used as an effective vibrational optical ruler for characterizing molecular interactions between plasticizers and polymers.

  13. Orientation determination of interfacial bent α-helical structures using Sum Frequency Generation vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Nguyen, Khoi Tan

    2015-02-01

    Sum Frequency Generation (SFG) has been shown to be a powerful and versatile technique in studies of proteins/peptides at surfaces and interfaces. Recently SFG was successfully applied in studies of interfacial macro-molecules with increasing size and complexity. In this report we continued to employ bond additivity model and group theory to demonstrate the importance of both the inter-helical tilt angle and the lengths of the helical segments assembling the structures being studies. Specifically, a newly improved SFG data analysis of multiple α-helical structures on melittin was used to interpret the SFG experimental observation and also verified the findings with the recent insights brought by other spectroscopic techniques.

  14. Time-frequency analysis of railway bridge response in forced vibration

    NASA Astrophysics Data System (ADS)

    Cantero, Daniel; Ülker-Kaustell, Mahir; Karoumi, Raid

    2016-08-01

    This paper suggests the use of the Continuous Wavelet Transform in combination with the Modified Littlewood-Paley basis to analyse bridge responses exited by traversing trains. The analysis provides an energy distribution map in the time-frequency domain that offers a better resolution compared to previous published studies. This is demonstrated with recorded responses of the Skidträsk Bridge, a 36 m long composite bridge located in Sweden. It is shown to be particularly useful to understand the evolution of the energy content during a vehicle crossing event. With this information it is possible to distinguish the effect of several of the governing factors involved in the dynamic response including vehicle's speed and axle configuration as well as non-linear behaviour of the structure.

  15. Inter- and Intradigit Somatotopic Map of High-Frequency Vibration Stimulations in Human Primary Somatosensory Cortex

    PubMed Central

    Choi, Mi-Hyun; Kim, Sung-Phil; Kim, Hyung-Sik; Chung, Soon-Cheol

    2016-01-01

    Abstract Although more about the somatotopic mapping of fingers continues to be uncovered, there is lack of mapping attempts regarding the integration of within-finger and across-finger somatotopic coordinates in Broadmann area (BA) 3. This study aimed to address the issue by finding an inter-/intradigit somatotopic map with high-frequency (250 Hz) vibrotactile stimulation. Functional magnetic resonance imaging (fMRI) data were acquired while stimulation was applied to 3 phalanxes (distal [p1], intermediate [p2], and proximal [p3] phalanx) of 4 fingers (index, middle, ring, and little finger) for a total of 12 finger–phalanx combinations for a human. Inter-, intra-, and inter-/intradigit distances were calculated from peak activation coordinates in BA 3 for each combination. With regard to interdigit dimensions, the somatotopic coordinates proceeded in the lateral-to-medial direction for the index, middle, ring, and little fingers consecutively. This trend is comparable to that generated from low-frequency stimulation modalities (flutter stimulation). The somatotopic distances between fingers were greatest when p1 was compared across fingers. From an intradigit perspective, stimulation on p1, p2, and p3 yielded BA 3 peak coordinates aligned along the anterior-to-posterior and inferior-to-superior directions for all fingers. An inter-/intradigit map exhibited a radially propagating trend of distances calculated with respect to index p1 as a reference point; this provided an integrated view of inter- and intradigit somatotopies, which are traditionally discussed separately. We expect such an inter-/intradigit somatotopic map approach to contribute in generating a comprehensive somatotopic model of fingers. PMID:27196488

  16. Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver.

    PubMed

    Yuan, Dingwang; Han, Zhumin; Czap, Gregory; Chiang, Chi-Lun; Xu, Chen; Ho, W; Wu, Ruqian

    2016-06-16

    The combination of a sub-Kelvin scanning tunneling microscope and density functional calculations incorporating van der Waals (vdW) corrections has been used successfully to probe the adsorption structure and low-frequency vibrational modes of single benzene molecules on Ag(110). The inclusion of optimized vdW functionals and improved C6-based vdW dispersion schemes in density functional theory is crucial for obtaining the correct adsorption structure and low-energy vibrational modes. These results demonstrate the emerging capability to quantitatively probe the van der Waals interactions between a physisorbed molecule and an inert substrate.

  17. Influence of pressure on the low-frequency vibrational modes of lysozyme and water: a complementary inelastic neutron scattering and molecular dynamics simulation study.

    PubMed

    Lerbret, Adrien; Hédoux, Alain; Annighöfer, Burkhard; Bellissent-Funel, Marie-Claire

    2013-02-01

    We performed complementary inelastic neutron scattering (INS) experiments and molecular dynamics (MD) simulations to study the influence of pressure on the low-frequency vibrational modes of lysozyme in aqueous solution in the 1 atm-6 kbar range. Increasing pressure induces a high-frequency shift of the low-frequency part (<10 meV = 80 cm(-1)) of the vibrational density of states (VDOS), g(ω), of both lysozyme and water that reveals a stiffening of the interactions ascribed to the reduction of the protein and water volumes. Accordingly, high pressures increase the curvature of the free energy profiles of the protein quasiharmonic vibrational modes. Furthermore, the nonlinear influence of pressure on the g(ω) of lysozyme indicates a change of protein dynamics that reflects the nonlinear pressure dependence of the protein compressibility. An analogous dynamical change is observed for water and stems from the distortion of its tetrahedral structure under pressure. Moreover, our study reveals that the structural, dynamical, and vibrational properties of the hydration water of lysozyme are less sensitive to pressure than those of bulk water, thereby evidencing the strong influence of the protein surface on hydration water.

  18. Frequency shifts of vibrational and rotational states of dilute H2, D2, and HD impurities in solid Ar under pressure

    NASA Astrophysics Data System (ADS)

    Silvi, B.; Chandrasekharan, V.; Chergui, M.; Etters, R. D.

    1986-02-01

    The frequency shifts of the vibrational and rotational transitions of H2, D2, and HD molecules trapped in solid Ar are calculated at zero temperature and at pressures 0<=P<=373 kbar. It is found that the pure vibrational and rotational-vibrational transition frequencies are strongly red-shifted in the solid at P=0, compared to gas-phase values, and the agreement with Raman scattering measurements is generally good. The calculated pure rotational transitions also show a small red shift at P=0 in the solid and are in generally good agreement with the measurements of Jodl and Bier, but less so with those of Prochaska and Andrews, who, except for D2(Ar), measure small blue shifts. The calculated local-mode frequencies of the impurity molecules in the solid at P=0 are also in good agreement with experiment, especially when thermal corrections are considered. With increasing pressure all transition frequencies and the local-mode frequencies are strongly blue-shifted with respect to P=0 solid values.

  19. Evaluation of analysis techniques for low frequency interior noise and vibration of commercial aircraft

    NASA Technical Reports Server (NTRS)

    Landmann, A. E.; Tillema, H. F.; Marshall, S. E.

    1989-01-01

    The application of selected analysis techniques to low frequency cabin noise associated with advanced propeller engine installations is evaluated. Three design analysis techniques were chosen for evaluation including finite element analysis, statistical energy analysis (SEA), and a power flow method using element of SEA (computer program Propeller Aircraft Interior Noise). An overview of the three procedures is provided. Data from tests of a 727 airplane (modified to accept a propeller engine) were used to compare with predictions. Comparisons of predicted and measured levels at the end of the first year's effort showed reasonable agreement leading to the conclusion that each technique had value for propeller engine noise predictions on large commercial transports. However, variations in agreement were large enough to remain cautious and to lead to recommendations for further work with each technique. Assessment of the second year's results leads to the conclusion that the selected techniques can accurately predict trends and can be useful to a designer, but that absolute level predictions remain unreliable due to complexity of the aircraft structure and low modal densities.

  20. Perspective: Watching low-frequency vibrations of water in biomolecular recognition by THz spectroscopy.

    PubMed

    Xu, Yao; Havenith, Martina

    2015-11-07

    Terahertz (THz) spectroscopy has turned out to be a powerful tool which is able to shed new light on the role of water in biomolecular processes. The low frequency spectrum of the solvated biomolecule in combination with MD simulations provides deep insights into the collective hydrogen bond dynamics on the sub-ps time scale. The absorption spectrum between 1 THz and 10 THz of solvated biomolecules is sensitive to changes in the fast fluctuations of the water network. Systematic studies on mutants of antifreeze proteins indicate a direct correlation between biological activity and a retardation of the (sub)-ps hydration dynamics at the protein binding site, i.e., a "hydration funnel." Kinetic THz absorption studies probe the temporal changes of THz absorption during a biological process, and give access to the kinetics of the coupled protein-hydration dynamics. When combined with simulations, the observed results can be explained in terms of a two-tier model involving a local binding and a long range influence on the hydration bond dynamics of the water around the binding site that highlights the significance of the changes in the hydration dynamics at recognition site for biomolecular recognition. Water is shown to assist molecular recognition processes.

  1. The Influence of Low Frequency Mechanical Vibrations on the Growth of Single Crystals

    NASA Technical Reports Server (NTRS)

    Feigelson, R. S.; Elwell, D.

    1985-01-01

    The optimum conditions for crystal growth are usually achieved either by suppressing convective fluid flows (e.g., by the use of a low-gravity environment) or by over-riding thermal and solutal convection by the use of a strong stirring action. A novel stirring technique has been developed which involves subjecting a vertical crucible to a circle in a horizontal plane (without rotation). Use of an amplitude of 3 mm at a frequency of approx 6 Hz produced complete mixing of a non-uniform aqueous liquid in a few seconds. The mixing action involved the downward flow of liquid in the outer annulus of the liquid, driven by surface waves. When the downward flowing liquid reaches the bottom of the crucible, it is reflected in a central, upward flowing spiral. This flow pattern should be beneficial for crystal growth by the Bridgman method since it will sweep impurities away from the walls and produce a more convex solid-liquid interface. Initial attempts to apply the new stirring technique to CdTe crystal growth did not show significant improvement in the number of crystals nucleated, but the interface shape appeared to be close to that predicted.

  2. Vibrational Sum-Frequency Generation Spectroscopy at the Water/Lipid Interface: Molecular Dynamics Simulation Study

    PubMed Central

    Nagata, Yuki; Mukamel, Shaul

    2011-01-01

    The sum-frequency generation (SFG) spectrum from the water/[1,2-dimyristoyl-sn-glycero-3-phosphatidylcholine] (DMPC) interface in the OH stretching mode region of water is simulated and shows three spectral peaks which are assigned to different environment. The weak 3590cm−1 peak is attributed to a few water molecules coupled to the glycerol backbone of DMCP. The 3470cm−1 feature comes from the top water layer adjacent to the hydrophilic head-group of DMPC. The 3290cm−1 peak arises from the near-bulk water nonadjacent to DMPC. The stretching mode corresponding to the 3290cm−1 peak is strongly coupled with the neighboring water molecules. In contrast, the 3470cm−1 mode is decoupled from the surrounding water molecules, and the orientation of water is governed by DMPC. This decoupling explains the slow relaxation dynamics of water measured in the time-resolved SFG experiment. Despite the similarity of the SFG spectra, the peak origins of water/lipid and water/vapor interfaces are different. PMID:20394423

  3. Perspective: Watching low-frequency vibrations of water in biomolecular recognition by THz spectroscopy

    NASA Astrophysics Data System (ADS)

    Xu, Yao; Havenith, Martina

    2015-11-01

    Terahertz (THz) spectroscopy has turned out to be a powerful tool which is able to shed new light on the role of water in biomolecular processes. The low frequency spectrum of the solvated biomolecule in combination with MD simulations provides deep insights into the collective hydrogen bond dynamics on the sub-ps time scale. The absorption spectrum between 1 THz and 10 THz of solvated biomolecules is sensitive to changes in the fast fluctuations of the water network. Systematic studies on mutants of antifreeze proteins indicate a direct correlation between biological activity and a retardation of the (sub)-ps hydration dynamics at the protein binding site, i.e., a "hydration funnel." Kinetic THz absorption studies probe the temporal changes of THz absorption during a biological process, and give access to the kinetics of the coupled protein-hydration dynamics. When combined with simulations, the observed results can be explained in terms of a two-tier model involving a local binding and a long range influence on the hydration bond dynamics of the water around the binding site that highlights the significance of the changes in the hydration dynamics at recognition site for biomolecular recognition. Water is shown to assist molecular recognition processes.

  4. Multimodal Broadband Vibrational Sum Frequency Generation (MM-BB-V-SFG) Spectrometer and Microscope.

    PubMed

    Lee, Christopher M; Kafle, Kabindra; Huang, Shixin; Kim, Seong H

    2016-01-14

    A broadband sum frequency generation (BB-SFG) spectrometer with multimodal (MM) capabilities was constructed, which could be routinely reconfigured for tabletop experiments in reflection, transmission, and total internal reflection (TIR) geometries, as well as microscopic imaging. The system was constructed using a Ti:sapphire amplifier (800 nm, pulse width = 85 fs, repetition rate = 2 kHz), an optical parameter amplification (OPA) system for production of broadband IR pulses tunable between 1000 and 4000 cm(-1), and two Fabry-Pérot etalons arranged in series for production of narrowband 800 nm pulses. The key feature allowing the MM operation was the nearly collinear alignment of the visible (fixed, 800 nm) and infrared (tunable, 1000-4000 cm(-1)) pulses which were spatially separated. Physical insights discussed in this paper include the comparison of spectral bandwidth produced with 40 and 85 fs pump beams, the improvement of spectral resolution using etalons, the SFG probe volume in bulk analysis, the normalization of SFG signals, the stitching of multiple spectral segments, and the operation in different modes for air/liquid and adsorbate/solid interfaces, bulk samples, as well as spectral imaging combined with principle component analysis (PCA). The SFG spectral features obtained with the MM-BB-SFG system were compared with those obtained with picosecond-scanning-SFG system and high-resolution BB-SFG system (HR-BB-SFG) for dimethyl sulfoxide, α-pinene, and various samples containing cellulose (purified commercial products, Cladophora cell wall, cotton and flax fibers, and onion epidermis cell wall).

  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. Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations.

    PubMed

    Ramalingam, S; Periandy, S

    2011-03-01

    In the present study, the FT-IR and FT-Raman spectra of 4-chloro-2-methylaniline (4CH2MA) have been recorded in the range of 4000-100 cm(-1). The fundamental modes of vibrational frequencies of 4CH2MA are assigned. All the geometrical parameters have been calculated by HF and DFT (LSDA, B3LYP and B3PW91) methods with 6-31G (d, p) and 6-311G (d, p) basis sets. Optimized geometries of the molecule have been interpreted and compared with the reported experimental values for aniline and some substituted aniline. The harmonic and anharmonic vibrational wavenumbers, IR intensities and Raman activities are calculated at the same theory levels used in geometry optimization. The calculated frequencies are scaled and compared with experimental values. The scaled vibrational frequencies at LSDA/B3LYP/6-311G (d, p) seem to coincide with the experimentally observed values with acceptable deviations. The impact of substitutions on the benzene structure is investigated. The molecular interactions between the substitutions (Cl, CH(3) and NH(2)) are also analyzed.

  7. The direct field boundary impedance of two-dimensional periodic structures with application to high frequency vibration prediction.

    PubMed

    Langley, Robin S; Cotoni, Vincent

    2010-04-01

    Large sections of many types of engineering construction can be considered to constitute a two-dimensional periodic structure, with examples ranging from an orthogonally stiffened shell to a honeycomb sandwich panel. In this paper, a method is presented for computing the boundary (or edge) impedance of a semi-infinite two-dimensional periodic structure, a quantity which is referred to as the direct field boundary impedance matrix. This terminology arises from the fact that none of the waves generated at the boundary (the direct field) are reflected back to the boundary in a semi-infinite system. The direct field impedance matrix can be used to calculate elastic wave transmission coefficients, and also to calculate the coupling loss factors (CLFs), which are required by the statistical energy analysis (SEA) approach to predicting high frequency vibration levels in built-up systems. The calculation of the relevant CLFs enables a two-dimensional periodic region of a structure to be modeled very efficiently as a single subsystem within SEA, and also within related methods, such as a recently developed hybrid approach, which couples the finite element method with SEA. The analysis is illustrated by various numerical examples involving stiffened plate structures.

  8. Modelling the matrix shift on the vibrational frequency of ThO by DFT-D3 calculations

    NASA Astrophysics Data System (ADS)

    Kovács, Attila; Rode, Joanna E.

    2017-03-01

    Benchmark calculations with a goal to find dispersion-corrected DFT-D3 methods suitable for a reliable estimation of matrix shifts on the vibrational frequency were carried out on the ThO molecule in three rare gas (Rg = Ne, Ar, and Kr) matrices. The matrices were modelled by the explicit approach, in which a single and a double shell of Rg atoms around ThO was considered. The selection of exchange-correlation functionals was based on test calculations on triatomic ThO⋯ Rg models. The B3LYP, PBE0, CAM-B3LYP, and LC-ω PBE functionals were found to be the best suited for the estimation of matrix shifts. The single shell of Rg's around ThO accounted for a major part of the shifts; the addition of a second Rg shell resulted only in a minor improvement. Continuum solvation models considerably overestimated the effect of Rg matrices both when the whole matrix was treated by the model and when the first shell was treated explicitly and the rest with a continuum solvation model.

  9. Ab Initio Calculation Of Vibrational Frequencies In AsxS1-x Glass And The Raman Spectra

    NASA Astrophysics Data System (ADS)

    Rosli, Ahmad Nazrul; Kassim, Hasan Abu; Shrivastava, Keshav N.

    2009-06-01

    We have made many different models for the understanding of the structure of AsS glass. In particular, we made the models of AsS3 (triangular), AsS3 (pyramid), AsS4 (3S on one side, one on the other side of As, S3-As-S), AsS4 (pyramid), AsS4 (tetrahedral), AsS7, As2S6 (dumb bell), As2S3 (bipyramid), As2S3 (zig-zag), As3S2 (bipyramid), As3S2 (linear), As4S4 (cubic), As4S4 (ring), As4S (tetrahedral), As4S (pyramid), As4S3 (linear) and As6S2 (dumb bell) by using the density functional theory which solves the Schrödinger equation for the given number of atoms in a cluster in the local density approximation. The models are optimized for the minimum energy which determines the structures, bond lengths and angles. For the optimized clusters, we calculated the vibrational frequencies in each case by calculating the gradients of the first principles potential. We compare the experimentally observed Raman frequencies with those calculated so that we can identify whether the cluster is present in the glass. In this way we find that AsS4 (S3-As-S), As4S4 (ring), As2S3 (bipyramid), As4S4 (cubic), As4S3 (linear), As2S3 (zig-zag), AsS4 (Td), As2S6 (dumb bell), AsS3 (triangle) and AsS3 (pyramid) structures are present in the actual glass.

  10. Vibrational Frequencies and Spectroscopic Constants for 1(sup 3)A' HNC and 1(sup 3)A' HOC+ from High-Accuracy Quartic Force Fields

    NASA Technical Reports Server (NTRS)

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

    2014-01-01

    The spectroscopic constants and vibrational frequencies for the 1(sup 3)A' states of HNC, DNC, HOC+, and DOC+ are computed and discussed in this work. The reliable CcCR quartic force field based on high-level coupled cluster ab initio quantum chemical computations is exclusively utilized to provide the anharmonic potential. Then, second order vibrational perturbation theory and vibrational configuration interaction methods are employed to treat the nuclear Schroedinger equation. Second-order perturbation theory is also employed to provide spectroscopic data for all molecules examined. The relationship between these molecules and the corresponding 1(sup 3)A' HCN and HCO+ isomers is further developed here. These data are applicable to laboratory studies involving formation of HNC and HOC+ as well as astronomical observations of chemically active astrophysical environments.

  11. Theoretical studies for the N{sub 2}–N{sub 2}O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies

    SciTech Connect

    Zheng, Rui; Zheng, Limin; Yang, Minghui E-mail: yangmh@wipm.ac.cn; Lu, Yunpeng E-mail: yangmh@wipm.ac.cn

    2015-10-21

    Theoretical studies of the potential energy surface (PES) and bound states are performed for the N{sub 2}–N{sub 2}O van der Waals (vdW) complex. A four-dimensional intermolecular PES is constructed at the level of single and double excitation coupled-cluster method with a non-iterative perturbation treatment of triple excitations [CCSD(T)] with aug-cc-pVTZ basis set supplemented with bond functions. Two equivalent T-shaped global minima are located, in which the O atom of N{sub 2}O monomer is near the N{sub 2} monomer. The intermolecular fundamental vibrational states are assigned by inspecting the orientation of the nodal surface of the wavefunctions. The calculated frequency for intermolecular disrotation mode is 23.086 cm{sup −1}, which is in good agreement with the available experimental data of 22.334 cm{sup −1}. A negligible tunneling splitting with the value of 4.2 MHz is determined for the ground vibrational state and the tunneling splitting increases as the increment of the vibrational frequencies. Rotational levels and transition frequencies are calculated for both isotopomers {sup 14}N{sub 2}–N{sub 2}O and {sup 15}N{sub 2}–N{sub 2}O. The accuracy of the PES is validated by the good agreement between theoretical and experimental results for the transition frequencies and spectroscopic parameters.

  12. Vibrational spectroscopic, molecular docking and density functional theory studies on 2-acetylamino-5-bromo-6-methylpyridine.

    PubMed

    Premkumar, S; Rekha, T N; Mohamed Asath, R; Mathavan, T; Milton Franklin Benial, A

    2016-01-20

    Conformational and molecular docking analysis of 2-acetylamino-5-bromo-6-methylpyridine molecule was carried out and the vibrational spectral analysis was also carried out using experimental and theoretical methods. The calculated and experimentally observed vibrational frequencies of the molecule were assigned and compared. The pyridine ring CH stretching and CH3 stretching vibrational modes were shifted towards higher wavenumber (blue shift). The C=O stretching vibrational frequency was shifted towards lower wavenumber (red shift). Ultraviolet-visible spectrum of the molecule simulated theoretically was further validated experimentally. Molecular reactivity and stability were investigated using the frontier molecular orbital analysis and the related quantum chemical molecular properties. Natural bond orbital analysis and the structure activity relations were also studied to confirm the bioactivity of the molecule. Anticancer activity was examined based on molecular docking analysis and it has been identified that the AABMP molecule can act as a good inhibitor against lung cancer.

  13. Characterisation of the membrane affinity of an isoniazide peptide conjugate by tensiometry, atomic force microscopy and sum-frequency vibrational spectroscopy, using a phospholipid Langmuir monolayer model.

    PubMed

    Hill, Katalin; Pénzes, Csanád Botond; Schnöller, Donát; Horváti, Kata; Bosze, Szilvia; Hudecz, Ferenc; Keszthelyi, Tamás; Kiss, Eva

    2010-10-07

    Tensiometry, sum-frequency vibrational spectroscopy, and atomic force microscopy were employed to assess the cell penetration ability of a peptide conjugate of the antituberculotic agent isoniazide. Isoniazide was conjugated to peptide (91)SEFAYGSFVRTVSLPV(106), a functional T-cell epitope of the immunodominant 16 kDa protein of Mycobacterium tuberculosis. As a simple but versatile model of the cell membrane a phospholipid Langmuir monolayer at the liquid/air interface was used. Changes induced in the structure of the phospholipid monolayer by injection of the peptide conjugate into the subphase were followed by tensiometry and sum-frequency vibrational spectroscopy. The drug penetrated lipid films were transferred to a solid support by the Langmuir-Blodgett technique, and their structures were characterized by atomic force microscopy. Peptide conjugation was found to strongly enhance the cell penetration ability of isoniazide.

  14. 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.

  15. DCMB that combines divide-and-conquer and mixed-basis set methods for accurate geometry optimizations, total energies, and vibrational frequencies of large molecules.

    PubMed

    Wu, Anan; Xu, Xin

    2012-06-15

    We present a method, named DCMB, for the calculations of large molecules. It is a combination of a parallel divide-and-conquer (DC) method and a mixed-basis (MB) set scheme. In this approach, atomic forces, total energy and vibrational frequencies are obtained from a series of MB calculations, which are derived from the target system utilizing the DC concept. Unlike the fragmentation based methods, all DCMB calculations are performed over the whole target system and no artificial caps are introduced so that it is particularly useful for charged and/or delocalized systems. By comparing the DCMB results with those from the conventional method, we demonstrate that DCMB is capable of providing accurate prediction of molecular geometries, total energies, and vibrational frequencies of molecules of general interest. We also demonstrate that the high efficiency of the parallel DCMB code holds the promise for a routine geometry optimization of large complex systems.

  16. Movement of the Upper-Body of Seated Subjects Exposed to Vertical Whole-Body Vibration at the Principal Resonance Frequency

    NASA Astrophysics Data System (ADS)

    Matsumoto, Y.; Griffin, M. J.

    1998-08-01

    The dynamic responses of eight male subjects exposed to vertical whole-body vibration have been measured at eight locations of the body in three directions within the sagittal plane: in the vertical, fore-and-aft and pitch axes. The motions were measured on the body surface at the first, fifth and tenth thoracic vertebra (T1, T5, T10), at the first, third and fifth lumbar vertebra (L1, L3, L5) and at the pelvis (the posterior-superior iliac spine), and were corrected so as to estimate the motions of the skeleton. The head motion was measured with a bite bar. The force at the seat surface was also measured. The subjects were exposed to vertical random vibration in the frequency range from 0·5-20 Hz at a magnitude of 1·0 ms-2r.m.s. The movement of the upper-body at the principal resonance frequency of the driving-point apparent mass is illustrated by using the transmissibilities from seat vertical vibration to vertical and fore-and-aft vibration at the eight locations on the body. A bending of the lumbar spine, and probably the lowest thoracic spine, possibly coupled with a rocking motion of the upper thoracic spine about the lower thoracic spine, appeared to be dominant. A small bending along the full length of thoracic spine was also found. Pitch motion of the pelvis, possibly accompanied by longitudinal and shear deformations of the tissue underneath the pelvis, was found to occur near the resonance frequency range, but did not appear to make a principal contribution to the resonance observed in the apparent mass. Any significant axial motions along the spine occurred at higher frequencies.

  17. Quantum Chemical Study of the Fe(III)-Desferrioxamine B Siderophore Complex-Electronic Structure, Vibrational Frequencies, and Equilibrium Fe-Isotope Fractionation

    DTIC Science & Technology

    2008-09-19

    chemical study of the Fe(III)-desferrioxamine B siderophore complex—Electronic structure, vibrational frequencies, and equilibrium Fe-isotope fractionation...Fitzwater, 1988). Siderophores , an important class of organic acids with large complexation constants for Fe, are produced by sev- eral organisms in order...to overcome iron deficiencies (Wie- derhold et al., 2006). Due to their exceptionally high affinity for Fe, siderophores complex Fe(III) by extracting

  18. Surface and buried interfacial structures of epoxy resins used as underfills studied by sum frequency generation vibrational spectroscopy.

    PubMed

    Vázquez, Anne V; Holden, Brad; Kristalyn, Cornelius; Fuller, Mike; Wilkerson, Brett; Chen, Zhan

    2011-05-01

    Flip chip technology has greatly improved the performance of semiconductor devices, but relies heavily on the performance of epoxy underfill adhesives. Because epoxy underfills are cured in situ in flip chip semiconductor devices, understanding their surface and interfacial structures is critical for understanding their adhesion to various substrates. Here, sum frequency generation (SFG) vibrational spectroscopy was used to study surface and buried interfacial structures of two model epoxy resins used as underfills in flip chip devices, bisphenol A digylcidyl ether (BADGE) and 1,4-butanediol diglycidyl ether (BDDGE). The surface structures of these epoxies were compared before and after cure, and the orientations of their surface functional groups were deduced to understand how surface structural changes during cure may affect adhesion properties. Further, the effect of moisture exposure, a known cause of adhesion failure, on surface structures was studied. It was found that the BADGE surface significantly restructured upon moisture exposure while the BDDGE surface did not, showing that BADGE adhesives may be more prone to moisture-induced delamination. Lastly, although surface structure can give some insight into adhesion, buried interfacial structures more directly correspond to adhesion properties of polymers. SFG was used to study buried interfaces between deuterated polystyrene (d-PS) and the epoxies before and after moisture exposure. It was shown that moisture exposure acted to disorder the buried interfaces, most likely due to swelling. These results correlated with lap shear adhesion testing showing a decrease in adhesion strength after moisture exposure. The presented work showed that surface and interfacial structures can be correlated to adhesive strength and may be helpful in understanding and designing optimized epoxy underfill adhesives.

  19. Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond.

    PubMed

    Chitnis, Saurabh S; Whalen, J Marc; Burford, Neil

    2014-09-03

    We report a comprehensive and systematic experimental and computational assessment of the P-P bond in prototypical molecules that represent a rare series of known compounds. The data presented complement the existing solid-state structural data and previous computational studies to provide a thorough thermodynamic and electronic understanding of the P-P bond. Comparison of homolytic and heterolytic bond dissociation for tricoordinate-tricoordinate, tricoordinate-tetracoordinate, and tetracoordinate-tetracoordinate P-P bonds in frameworks 1-6 provides fundamental insights into covalent bonding. For all types of P-P bond discussed, homolytic dissociation is favored over heterolytic dissociation, although the distinction is small for 2(1+) and 6(1+). The presence of a single cationic charge in a molecule substantially strengthens the P-P bond (relative to analogous neutral frameworks) such that it is comparable with the C-C bond in alkanes. Nevertheless, P-P distances are remarkably independent of molecular charge or coordination number, and trends in values of d(PC) and νsymm(PC) imply that a molecular cationic charge is distributed over the alkyl substituents. In the gas phase, the diphosphonium dication 3(2+) has similar energy to two [PMe3](+) radical cations, so that it is the lattice enthalpy of 3[OTf]2 in the solid-state that enables isolation, highlighting that values from gas-phase calculations are poor guides for synthetic planning for ionic compounds. There are no relationships or correlations between bond lengths, strengths, and vibrational frequencies.

  20. Nanoscale chemical and mechanical characterization of thin films:sum frequency generation (SFG) vibrational spectroscopy at buriedinterfaces

    SciTech Connect

    Kweskin, Sasha Joseph

    2006-01-01

    Sum frequency generation (SFG) surface vibrational spectroscopy was used to characterize interfaces pertinent to current surface engineering applications, such as thin film polymers and novel catalysts. An array of advanced surface science techniques like scanning probe microscopy (SPM), x-ray photoelectron spectroscopy (XPS), gas chromatography (GC) and electron microscopy were used to obtain experimental measurements complementary to SFG data elucidating polymer and catalyst surface composition, surface structure, and surface mechanical behavior. Experiments reported in this dissertation concentrate on three fundamental questions: (1) How does the interfacial molecular structure differ from that of the bulk in real world applications? (2) How do differences in chemical environment affect interface composition or conformation? (3) How do these changes correlate to properties such as mechanical or catalytic performance? The density, surface energy and bonding at a solid interface dramatically alter the polymer configuration, physics and mechanical properties such as surface glass transition, adhesion and hardness. The enhanced sensitivity of SFG at the buried interface is applied to three systems: a series of acrylates under compression, the compositions and segregation behavior of binary polymer polyolefin blends, and the changes in surface structure of a hydrogel as a function of hydration. In addition, a catalytically active thin film of polymer coated nanoparticles is investigated to evaluate the efficacy of SFG to provide in situ information for catalytic reactions involving small mass adsorption and/or product development. Through the use of SFG, in situ total internal reflection (TIR) was used to increase the sensitivity of SFG and provide the necessary specificity to investigate interfaces of thin polymer films and nanostructures previously considered unfeasible. The dynamic nature of thin film surfaces is examined and it is found that the non

  1. Time Correlation Function Modeling of Third-Order Sum Frequency Vibrational Spectroscopy of a Charged Surface/Water Interface.

    PubMed

    Green, Anthony J; Space, Brian

    2015-07-23

    Sum frequency vibrational spectroscopy (SFVS), a second-order optical process, is interface-specific in the dipole approximation [Perry, A.; Neipert, C.; Moore, P.; Space, B. Chem. Rev. 2006, 106, 1234-1258; Richmond, G. L. Chem. Rev. 2002, 102, 2693-2724; Byrnes, S. J.; Geissler, P. L.; Shen, Y. R. Chem. Phys. Lett. 2011, 516, 115-124]. At charged interfaces, the experimentally detected signal is a combination of enhanced second-order and static-field-induced third-order contributions due to the existence of a static field. Evidence of the importance/relative magnitude of this third-order contribution is seen in the literature [Ong, S.; Zhao, X.; Eisenthal, K. B. Chem. Phys. Lett. 1992, 191, 327-335; Zhao, X.; Ong, S.; Eisenthal, K. B. Chem. Phys. Lett. 1993, 202, 513-520; Shen, Y. R. Appl. Phys. B: Laser Opt. 1999, 68, 295-300], but a molecularly detailed approach to separately calculating the second- and third-order contributions is difficult to construct. Recent work presented a novel molecular dynamics (MD)-based theory that provides a direct means to calculate the third-order contributions to SFVS spectra at charged interfaces [Neipert, C.; Space, B. J. Chem. Phys. 2006, 125, 224706], and a hyperpolarizability model for water was developed as a prerequisite to practical implementation [Neipert, C.; Space, B. Comput. Lett. 2007, 3, 431-440]. Here, these methods are applied to a highly abstracted/idealized silica/water interface, and the results are compared to experimental data for water at a fused quartz surface. The results suggest that such spectra have some quite general spectral features.

  2. Vibrational frequency analysis, FT-IR and Laser-Raman spectra, DFT studies on ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate.

    PubMed

    Sert, Yusuf; Sreenivasa, S; Doğan, Hatice; Mohan, N R; Suchetan, P A; Ucun, Fatih

    2014-09-15

    The experimental FT-IR (4000-400 cm(-1)) and Laser-Raman spectra (4000-100 cm(-1)) of ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate in solid phase have been recorded. Its theoretical vibrational frequencies, IR intensities, Raman activities and optimized geometric parameters (bond lengths and bond angles) have been calculated using density functional theory (DFT/B3LYP: Becke, 3-parameter, Lee-Yang-Parr and DFT/M06-2X: the highly parameterized empirical exchange correlation function) with 6-311++G(d, p) basis set by Gaussian 03 software, for the first time. The assignments of the vibrational frequencies have been done by potential energy distribution (PED) analysis using VEDA4 software. The optimized geometric parameters and vibrational frequencies have been seen to be in good agreement with the corresponding experimental data and results in the literature. In addition, the highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital (LUMO) energy and the other related molecular energy values of the compound have been investigated by using the same theoretical calculations.

  3. The Role of Symmetric-Stretch Vibration in Asymmetric-Stretch Vibrational Frequency Shift: the Case of 2CH Excitation Infrared Spectra of Acetylene-Hydrogen Van Der Waals Complex

    NASA Astrophysics Data System (ADS)

    Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; Zhai, Yu; Li, Hui

    2016-06-01

    Direct infrared spectra predictions for van der Waals (vdW) complexes rely on accurate intra-molecular vibrationally excited inter-molecular potential. Due to computational cost increasing with number of freedom, constructing an effective reduced-dimension potential energy surface, which only includes direct relevant intra- molecular modes, is the most feasible way and widely used in the recent potential studies. However, because of strong intra-molecular vibrational coupling, some indirect relevant modes are also play important roles in simulating infrared spectra of vdW complexes. The questions are how many intra-molecular modes are needed, and which modes are most important in determining the effective potential and direct infrared spectra simulations. Here, we explore these issues using a simple, flexible and efficient vibration-averaged approach, and apply the method to vdW complex C_2H_2-H_2. With initial examination of the intra-molecular vibrational coupling, an effective seven-dimensional ab initio potential energy surface(PES) for C_2H_2-H_2, which explicitly takes into account the Q_1,Q_2 symmetric-stretch and Q_3 asymmetric-stretch normal modes of the C_2H_2 monomer, has been generated. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies for νb{3}(C_2H_2)=0 and 1 to the Morse/long-range(MLR) potential function form. We provide the first prediction of the infrared spectra and band origin shifts for C_2H_2-H_2 dimer. We particularly examine the dependence of the symmetric-stretch normal mode on asymmetric-stretch frequency shift for the complex.

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

    SciTech Connect

    Chen, Shunli; Fu, Li; Gan, Wei; Wang, Hongfei

    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 (HR-BB-SFG-VS) 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 for the first time the direct comparison and understanding of the homogeneous and inhomogeneous broadenings in the imaginary and intensity SFG vibrational spectral lineshapes in detail. The difference of the full width at half maxima (FWHM) of the imaginary and intensity SFG-VS spectra of the same vibrational mode is the signature of the Voigt lineshape and it measures the relative contribution to the overall lineshape 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 lineshape with a homogeneous broadening half width of Γ = 5.29 ± 0.08 cm-1 and a inhomogeneous standard derivation width Δω = 5.42 ± 0.07 cm-1. These results shed new lights on the understanding and interpretation of the lineshapes of both the phase-resolved and the intensity SFG vibrational spectra, as well as other incoherent and coherent spectroscopic techniques in general.

  5. High resolution jet-cooled infrared absorption spectra of the formic acid dimer: A reinvestigation of the C-O stretch region

    NASA Astrophysics Data System (ADS)

    Goroya, Kusse G.; Zhu, Yu; Sun, Ping; Duan, Chuanxi

    2014-04-01

    The vibration-rotation-tunneling absorption spectra of the formic acid dimer (HCOOH)2 have been measured in the C-O stretch region at 1215-1240 cm-1 using a rapid-scan tunable diode laser spectrometer in conjunction with a slit supersonic expansion. The ν5 fundamental band of the HCOOH monomer is identified and the perturbed band-center is 1220.83329(10) cm-1. Three vibrational bands centered at 1219.71, 1225.35, and 1233.95 cm-1 are assigned to the two combination bands and the ν22 fundamental band of (HCOOH)2 unambiguously. The transition frequencies of these three vibrational bands are fitted together using a standard Watson A-reduced Hamiltonian, yielding precise rotational and centrifugal distortion constants for each tunneling level in the ground and excited vibrational states. The fitting results of the vibrational band centered at 1225.35 cm-1 are in good agreement with a previous high resolution study [M. Ortlieb and M. Havenith, J. Phys. Chem. A. 111, 7355 (2007)]. The tunneling splittings in the vibrationally excited states are -0.00304(16), -0.01023(11), and -0.00318(12) cm-1, respectively, where the minus indicates that the upper tunneling component lies energetically below the lower tunneling component. A three-state deperturbation analysis using the Fermi coupling constants obtained from a previous vibrational analysis [F. Ito, Chem. Phys. Lett. 447, 202 (2007)] fails to get the normal order of the tunneling levels for all the three excited vibrational states simultaneously.

  6. Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

    NASA Technical Reports Server (NTRS)

    Vlahopoulos, Nickolas

    2005-01-01

    The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

  7. Combined IR/NIR and density functional theory calculations analysis of the solvent effects on frequencies and intensities of the fundamental and overtones of the C ═ O stretching vibrations of acetone and 2-hexanone.

    PubMed

    Chen, Yujing; Morisawa, Yusuke; Futami, Yoshisuke; Czarnecki, Mirosław A; Wang, Hai-Shui; Ozaki, Yukihiro

    2014-04-10

    Vibrational overtone studies primarily focus on X-H stretching overtone transitions, where X is an atom like C, O, N, or S. In contrast, the studies on the C ═ O stretching overtones are very scattered. To advance the research in this field, we measured the fundamental, first, and second overtones of the C ═ O stretching vibration of acetone and 2-hexanone in n-hexane, CCl4, and CHCl3, as well as in the vapor phase using FT-IR/FT-NIR spectroscopy. Density functional theory (DFT) calculations have also been performed to help the assignment of the C ═ O stretching bands and to guide interpretation of the experimental results. It was found that the wavenumbers, absorption intensities, and oscillator strengths of the C ═ O stretching bands show marked solvent dependence. In the fundamental and the first overtone regions, the intensities of the C ═ O stretching vibration were found to be pronouncedly more intense than those of the C-H stretching vibration. In the second overtone region, the intensities of the C-H stretching vibration are comparable to those of the C ═ O stretching vibration. The theoretical and observed decrease in integrated intensity upon going from the fundamental to the first overtone of the C ═ O stretching vibration is around 50, which is significantly larger than those of the O-H, C-H, and S-H stretching vibration. Both the calculated and experimental results suggest that excessive weakness in the C ═ O stretching overtone was shown to be a result of both a low anharmonicity and a substantial reduction in the oscillator strength. These results provide new insight into our understanding of the C ═ O stretching vibration.

  8. Intrinsic Chirality and Prochirality at Air/R-(+)- and S-(-)-Limonene Interfaces: Spectral Signatures with Interference Chiral Sum-Frequency Generation Vibrational Spectroscopy

    SciTech Connect

    Fu, Li; Zhang, Yun; Wei, Zhehao; Wang, Hongfei

    2014-06-04

    We report in this work detailed measurements on the chiral and achiral sum-frequency vibrational spectra in the C-H stretching vibration region (2800-3050cm-1) of the air/liquid interfaces of R-limonene and S-limonene, using the recently developed high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS). The achiral SFG spectra of R-limonene and S-limonene, as well as the equal amount (50/50) racemic mixture show that the enantiomers are with the same interfacial orientations. The interference chiral SFG spectra of the limonene enantiomers exhibit spectral signature from chiral response of the Cα-H stretching mode, and spectral signature from prochiral response of the CH2 asymmetric stretching mode, respectively. The chiral spectral feature of the Cα-H stretching mode changes sign from R-limonene to S-limonene, and disappears for the 50/50 racemic mixture. While the prochiral spectral feature of the CH2 asymmetric stretching mode is the same for R-limonene and S-limonene, and also surprisingly remains the same for the 50/50 racemic mixture. These results provided detail information in understanding the structure and chirality of molecular interfaces, and demonstrated the sensitivity and potential of SFG-VS as unique spectroscopic tool for chirality characterization and chiral recognition at the molecular interface.

  9. Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene-Sulfonamide: a Density Functional Theory Study

    NASA Astrophysics Data System (ADS)

    Benhalima, Nadia; Boukabcha, Nourdine; Tamer, Ömer; Chouaih, Abdelkader; Avcı, Davut; Atalay, Yusuf; Hamzaoui, Fodil

    2016-08-01

    Density functional theory (DFT) calculations have been performed to obtain optimized geometries, vibrational wavenumbers, highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energies, nonlinear optical (NLO), and thermodynamic properties as well as molecular surfaces for N-(2,3-dichlorophenyl)-2-nitrobenzene-sulfonamide in different solvents. B3LYP level gives similar results for geometric parameters and vibration frequencies in gas phase, water, and ethanol solvents. The most stable structure, which is defined by the highest energy gap between HOMO and LUMO, is obtained in gas phase (∆ E = 10.7376 eV). Obtained small energy gaps between HOMO and LUMO demonstrate the high-charge mobility in the titled compound. The magnitude of first static hyperpolarizability ( β) parameter increases by the decreasing HOMO-LUMO energy gap. The intensive interactions between bonding and antibonding orbitals of titled compound are responsible for movement of π-electron cloud from donor to acceptor, i.e., intramolecular charge transfer (ICT), inducing the nonlinear optical properties. So, the β parameter for title compound is found to be in the range of 5.5255-3.7187 × 10-30 esu, indicating the considerable NLO character. All of these calculations have been performed in gas phase as well as water and ethanol solvents in order to demonstrate solvent effect on molecular structure, vibration frequencies, NLO properties, etc.

  10. Creation and Relaxation of Phospholipid Compositional Asymmetry in Lipid Bilayers Examined by Sum-Frequency Vibrational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Anglin, Timothy C.; Brown, Krystal; Conboy, John C.

    2010-08-01

    Eukaryotic cells contain an asymmetric distribution of phospholipids in the two leaflets of the lipid bilayer which is known to contribute to cellular function. In the plasma membrane of eukaryotic cells, the aminophospholipids with phosphatidylserine (PS) and phosphatidylethanolamine (PE) headgroups are predominately located on the cytosolic leaflet while sphingolipids with phosphatidylcholine (PC) headgroups and sphingomeylin are on the extra-cellular leaflet. There have been a number of theories about the mechanism of transbilayer movement of lipids in cellular systems and the physical process by which lipid compositional asymmetry in the plasma membrane of eukaryotic cells is maintained. It is generally accepted that a significant barrier to native lipid translocation (movement between leaflets of the bilayer) exists which is related to the energetic penalty of moving the hydrophilic headgroup of a phospholipid through the hydrophobic core of the membrane. Overcoming this energetic barrier represents the rate limiting step in the spontaneous flip-flop of phospholipids in biological membranes, yet, while numerous kinetic studies of phospholipid flip-flop have been conducted, few researchers have reported thermodynamic parameters for the process. Using methods of classical surface chemistry coupled with nonlinear optical methods, we have developed a novel analytical approach, using sum-frequency vibrational spectroscopy (SFVS), to selectively probe lipid compositional asymmetry in a planar supported lipid bilayer. This new method allows for the detection of lipid flip-flop kinetics and compositional asymmetry without the need for a fluorescent or spin-labeled lipid species by exploiting the coherent nature of SFVS. The SFVS intensity arising from the terminal methyl groups of the lipid fatty acid chains is used as an internal probe to directly monitor the compositional asymmetry in planar supported lipid bilayers (PSLBs(. By selectively deuterating a sub

  11. Anomalous Behavior in the Rotational Spectra of the NU(8) = 2 and the NU(8) = 3 Vibrations for the Carbon -13 and NITROGEN-15 Tagged Isotopes of the Methyl Cyanide Molecule in the Frequency Range 17-95 GHZ

    NASA Astrophysics Data System (ADS)

    Al-Share, Mohammad Abdel Karim

    1990-01-01

    The rotational microwave spectra of the three isotopes (^{13}CH _3^{12}C^ {15}N, ^{12} CH_3^{13}C ^{15}N, and ^ {13}CH_3^{13 }C^{15}N) of the methyl cyanide molecule in the nu _8 = 3, nu_8 = 2, nu_7 = 1 and nu_4 = 1 vibrational energy levels for the rotational components 1 <=q J <=q 5 (for a range of frequency 17-95 GHz.) were experimentally and theoretically examined. Rotational components in each vibration were measured to determine the mutual interactions in each vibration between any of the vibrational levels investigated. The method of isotopic substitution was employed for internal tuning of each vibrational level by single and double substitution of ^{13} C in the two sites of the molecule. It was found that relative frequencies within each vibration with respect to another vibration were shifted in a systematic way. The results given in this work were interpreted on the basis of these energy shifts. Large departure between experimentally measured and theoretically predicted frequency for the quantum sets (J, K = +/-1, l = +/-1), K l = 1 in the nu_8 = 3 vibrational states for the ^{13 }C and ^{15}N tagged isotopes of CH_3CN showed anomalous behavior which was explained as being due to Fermi resonance. Accidentally strong resonances (ASR) were introduced to account for some departures were not explained by Fermi resonance.

  12. Intramolecular vibrational energy redistribution from a high frequency mode in the presence of an internal rotor: Classical thick-layer diffusion and quantum localization

    NASA Astrophysics Data System (ADS)

    Manikandan, Paranjothy; Keshavamurthy, Srihari

    2007-08-01

    We study the effect of an internal rotor on the classical and quantum intramolecular vibrational energy redistribution (IVR) dynamics of a model system with three degrees of freedom. The system is based on a Hamiltonian proposed by Martens and Reinhardt [J. Chem. Phys. 93, 5621 (1990)] to study IVR in the excited electronic state of para-fluorotoluene. We explicitly construct the state space and show, confirming the mechanism proposed by Martens and Reinhardt, that an excited high frequency mode relaxes via diffusion along a thick layer of chaos created by the low frequency-rotor interactions. However, the corresponding quantum dynamics exhibits no appreciable relaxation of the high frequency mode. We attribute the quantum suppression of the classical thick-layer diffusion to the rotor selection rules and, possibly, dynamical localization effects.

  13. Vibrational transfer functions for complex structures

    NASA Technical Reports Server (NTRS)

    Jones, P. A.; Berry, R. L.

    1972-01-01

    Evaluation of effects of vibrational multiple frequency forcing functions is discussed. Computer program for developing vibrational transfer functions is described. Possible applications of computer program are enumerated.

  14. Resonance Femtosecond-Stimulated Raman Spectroscopy without Actinic Excitation Showing Low-Frequency Vibrational Activity in the S2 State of All-Trans β-Carotene.

    PubMed

    Quick, Martin; Dobryakov, Alexander L; Kovalenko, Sergey A; Ernsting, Nikolaus P

    2015-04-02

    Raman scattering with stimulating femtosecond probe pulses (FSR) was used to observe vibrational activity of all-trans β-carotene in n-hexane. The short-lived excited electronic state S2 was accessed in two ways: (i) by transient FSR after an actinic pulse to populate the S2 state, exploiting resonance from an Sx ← S2 transition, and (ii) by FSR without actinic excitation, using S2 ↔ S0 resonance exclusively and narrow-band Raman/broad-band femtosecond probe pulses only. The two approaches have nonlinear optical susceptibilities χ((5)) and χ((3)), respectively. Both methods show low-frequency bands of the S2 state at 200, 400, and ∼600 cm(-1), which are reported for the first time. With (ii) the intensities of low-frequency vibrational resonances in S2 are larger compared to those in S0, implying strong anharmonicities/mode mixing in the excited state. In principle, for short-lived electronic states, the χ((3)) method should allow the best characterization of low-frequency modes.

  15. Investigations of the Structure and Hydrogen Bonding of Water Molecules at Liquid Surfaces by Vibrational Sum Frequency Spectroscopy

    DTIC Science & Technology

    1998-06-01

    studies conducted for the first time at liquid surfaces are also described. In these studies the intermolecular and intramolecular coupling of vibrational ... modes in the water molecules are diminished. The results of these and above mentioned studies provide valuable information for those interested in developing theoretical descriptions of water at surfaces and interfaces.

  16. 2D heterodyne-detected sum frequency generation study on the ultrafast vibrational dynamics of H{sub 2}O and HOD water at charged interfaces

    SciTech Connect

    Inoue, Ken-ichi; Singh, Prashant C.; Nihonyanagi, Satoshi; Tahara, Tahei; Yamaguchi, Shoichi

    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 shows 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.

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

    NASA Technical Reports Server (NTRS)

    Barcilon, V.

    1978-01-01

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

  18. A batch-fabricated electret-biased wideband MEMS vibration energy harvester with frequency-up conversion behavior powering a UHF wireless sensor node

    NASA Astrophysics Data System (ADS)

    Lu, Y.; O'Riordan, E.; Cottone, F.; Boisseau, S.; Galayko, D.; Blokhina, E.; Marty, F.; Basset, P.

    2016-12-01

    This paper reports a batch-fabricated, low-frequency and wideband MEMS electrostatic vibration energy harvester (e-VEH), which implements corona-charged vertical electrets and nonlinear elastic stoppers. A numeric model is used to perform parametric study, where we observe a wideband bi-modality resulting from nonlinearity. The nonlinear stoppers improve the bandwidth and induce a frequency-up feature at low frequencies. When the e-VEH works with a bias of 45 V, the power reaches a maximum value of 6.6 μW at 428 Hz and 2.0 g rms, and is above 1 μW at 50 Hz. When the frequency drops below 60 Hz, a ‘frequency-up’ conversion behavior is observed with peaks of power at 34 Hz and 52 Hz. The  -3 dB bandwidth is more than 60% of its central frequency, both including and excluding the hysteresis introduced by the nonlinear stoppers. We also perform experiments with wideband Gaussian noise. The device is eventually tested with an RF data transmission setup, where a communication node with an internal temperature sensor is powered. Every 2 min, a data transmission at 868 MHz is performed by the sensor node supplied by the e-VEH, and received at a distance of up to 15 m.

  19. A fast full frequency range measurement of nonlinear distortions in the vibration of acoustic transducers and acoustically driven membranes

    NASA Astrophysics Data System (ADS)

    Aerts, J. R. M.; Dirckx, J. J. J.

    2007-11-01

    Recently, a new method was proposed to measure nonlinear distortions in weak nonlinear systems using specially designed broadband excitation signals (odd random phase multisines). During one single experiment, the output response level, the noise level and the level of the nonlinear distortions are simultaneously measured. We implement this method in an opto-acoustic set-up which allows us to measure vibrations with high accuracy. To demonstrate the method, we present results obtained on the membrane of an earphone speaker and a latex membrane. On the earphone good agreement is found between measurements of the produced sound field and the actual membrane vibration using heterodyne interferometry. The results show that heterodyne vibrometry can be used to detect nonlinear distortions which are up to 80 dB below the output level in an acoustically driven system.

  20. Research on relation between bending stress and characteristic frequency of H-shaped beam by free vibration deflection

    SciTech Connect

    Yoshida, Tsutomu; Watanabe, Takeshi

    2014-05-27

    In order to investigate a relation between a bending stress and a characteristic frequency of a beam, 4-point loading which had constant moment region was conducted to a beam with H shape configuration experimentally and numerically. H-shaped beam has many characteristic deformation modes. Axial tensile stress in the beam made its characteristic frequency higher, and compressive stress lower. In the experiment, some characteristic frequencies got higher by a bending stress, and the others stayed in a small frequency fluctuation. The distinction is anticipated as a capability to measure a bending stress of a beam by its characteristic frequencies.

  1. Calculation of the fundamental vibrational frequencies and intensities of H2, D2, and N2 in the presence of Li(+) or Na

    NASA Astrophysics Data System (ADS)

    Bishop, David M.; Cybulski, Slawomir M.

    1994-11-01

    Self-consistent-field (SCF) and second-order Moller-Plesset (MP2) calculations, using large basis sets, have been carried out for the system X2...Y(+), with X = H, D, and N and Y = Li and Na. In particular, the fundamental vibrational frequency shifts and intensities induced in the diatomic by the cation have been found. For Y = Na these properties may be compared with the experimental infrared spectra of the same diatomics when trapped in a NaA zeolite. There is good agreement between theory and experiment for the frequency shifts but the calculated intensity for N2...Na(+) is several times larger than that found in the zeolite. This indicates that either the model for the trapped species is too simple or the experimental result needs reassessment.

  2. Effect of temperature on the low-frequency vibrational spectrum and relative structuring of hydration water around a single-stranded DNA.

    PubMed

    Chakraborty, Kaushik; Bandyopadhyay, Sanjoy

    2015-01-07

    Molecular dynamics simulations of the single-stranded DNA oligomer (5'-CGCGAAT TCGCG-3') in aqueous solution have been carried out at different temperatures between 160 K and 300 K. The effects of temperature on the low-frequency vibrational spectrum and local structural arrangements of water molecules hydrating the DNA strand have been explored in detail. The low-frequency density of states distributions reveal that increasingly trapped transverse water motions play a dominant role in controlling the band corresponding to O⋯O⋯O bending or transverse oscillations of hydration water at supercooled temperatures. In addition, presence of a broad band around 260 (±20) cm(-1) under supercooled conditions indicates transformation from high density liquid-like structuring of hydration water at higher temperatures to that of a low density liquid at lower temperatures. It is found that long-range correlations between the supercooled hydration water molecules arise due to such local structural transition around the DNA oligomer.

  3. Vibrational frequency shifts of diatomic molecules in interaction with a Na + cation by ab initio calculations. Comparison with experiment on H 2 and N 2 adsorbed in NaA zeolite

    NASA Astrophysics Data System (ADS)

    Koubi, Laure; Blain, Monique; de Lara, Evelyne Cohen; Leclerq, Jean-Marie

    1994-01-01

    Ab initio calculations on H 2 and N 2 and on the same molecules in the presence of a Na + cation are presented. The equilibrium configuration and the vibrational frequency shift due to the interaction are calculated. The potential energy surfaces are obtained by local osculatory interpolations and extrapolations. The vibrational frequencies are calculated by the Numerov—Cooley method. The direction of the frequency shift is found to be related to the orientation of the diatomic molecule with respect to the cation. The results are compared with experimental data on induced infrared bands of H 2 and N 2 adsorbed in NaA zeolite.

  4. Intrinsic chirality and prochirality at Air/R-(+)- and S-(-)-limonene interfaces: spectral signatures with interference chiral sum-frequency generation vibrational spectroscopy.

    PubMed

    Fu, Li; Zhang, Yun; Wei, Zhe-Hao; Wang, Hong-Fei

    2014-09-01

    We report in this work detailed measurements of the chiral and achiral sum-frequency vibrational spectra in the C-H stretching vibration region (2800-3050 cm(-1)) of the air/liquid interfaces of R-(+)-limonene and S-(-)-limonene, using the recently developed high-resolution broadband sum-frequency generation vibrational spectroscopy (HR-BB-SFG-VS). The achiral SFG spectra of R-limonene and S-limonene, as well as the RS racemic mixture (50/50 equal amount mixture), show that the corresponding molecular groups of the R and S enantiomers are with the same interfacial orientations. The interference chiral SFG spectra of the limonene enantiomers exhibit a spectral signature from the chiral response of the Cα-H stretching mode, and a spectral signature from the prochiral response of the CH(2) asymmetric stretching mode, respectively. The chiral spectral feature of the Cα-H stretching mode changes sign from R-(+)-limonene to S-(-)-limonene surfaces, and disappears for the RS racemic mixture surface. While the prochiral spectral feature of the CH(2) asymmetric stretching mode is the same for R-(+)-limonene and S-(-)-limonene surfaces, and also surprisingly remains the same for the RS racemic mixture surface. Therefore, the structures of the R-(+)-limonene and the S-(-)-limonene at the liquid interfaces are nevertheless not mirror images to each other, even though the corresponding groups have the same tilt angle from the interfacial normal, i.e., the R-(+)-limonene and the S-(-)-limonene at the surface are diastereomeric instead of enantiomeric. These results provide detailed information in understanding the structure and chirality of molecular interfaces and demonstrate the sensitivity and potential of SFG-VS as a unique spectroscopic tool for chirality characterization and chiral recognition at the molecular interface.

  5. The structures, binding energies and vibrational frequencies of Ca3 and Ca4: An application of the CCSD(T) method

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Rendell, Alistair P.; Taylor, Peter R.

    1992-01-01

    The Ca3 and Ca4 metallic clusters have been investigated using state-of-the-art ab initio quantum mechanical methods. Large atomic natural orbital basis sets have been used in conjunction with the singles and doubles coupled-cluster (CCSD) method, a coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), and the multireference configuration interaction (MRCI) method. The equilibrium geometries, binding energies and harmonic vibrational frequencies have been determined with each of the methods so that the accuracy of the coupled-cluster methods may be assessed. Since the CCSD(T) method reproduces the MRCI results very well, cubic and quartic force fields of Ca3 and Ca4 have been determined using this approach and used to evaluate the fundamental vibrational frequencies. The infrared intensities of both the e' mode of Ca3 and the t2 mode of Ca4 are found to be small. The results obtained in this study are compared and contrasted with those from our earlier studies on small Be and Mg clusters.

  6. Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

    NASA Astrophysics Data System (ADS)

    Sebastian, S.; Sylvestre, S.; Jayarajan, D.; Amalanathan, M.; Oudayakumar, K.; Gnanapoongothai, T.; Jayavarthanan, T.

    2013-01-01

    In this work, we report harmonic vibrational frequencies, molecular structure, NBO and HOMO, LUMO analysis of Umbelliferone also known as 7-hydroxycoumarin (7HC). The optimized geometric bond lengths and bond angles obtained by computation (monomer and dimmer) shows good agreement with experimental XRD data. Harmonic frequencies of 7HC were determined and analyzed by DFT utilizing 6-311+G(d,p) as basis set. The assignments of the vibrational spectra have been carried out with the help of Normal Coordinate Analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). The change in electron density (ED) in the σ* and π* antibonding orbitals and stabilization energies E(2) have been calculated by Natural Bond Orbital (NBO) analysis to give clear evidence of stabilization originating in the hyperconjugation of hydrogen-bonded interaction. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) complements with the experimental findings. The simulated spectra satisfactorily coincides with the experimental spectra. Microbial activity of studied compounds was tested against Staphylococcus aureus, Streptococcus pyogenes, Bacillus subtilis, Escherichia coli, Psuedomonas aeruginosa, Klebsiella pneumoniae, Proteus mirabilis, Shigella flexneri, Salmonella typhi and Enterococcus faecalis.

  7. A STUDY OF FREQUENCY ANALYS IS METHODS FOR VIBRATION GENERATED BY IMPACT ON THE SURFACE OF THE CONCRETE

    NASA Astrophysics Data System (ADS)

    Iwano, Satoshi; Morihama, Kazumasa

    Impact Elastic Wave Method is a non destructive test method for concrete structures. In Impact Elastic Wave Method, Fast Fourier Transform (FFT) has mainly been used for measuring the frequency with which elastic wave is reflected between the opposite su rfaces of a concrete plate, and if the velocity of elastic wave is known, the thickness of concrete plat e can be calculated by this measured frequency. In this paper limitation of measuring by using FFT is discussed and other frequency analysis method that uses cross-correlation function and FFT is studied. As a result, the attenuation of reflected elastic wave was found to be the major drawback to determination of the frequency. In concrete plate whose thickness is 2m or greater, the thickness of concrete plate can not be measured by using FFT. On the other hand, the cross-correlation function that is cal culated by the initial portion of the waveform relate to the arrival time of the reflected elastic wave without influence of the attenuation. It was concluded that the frequency analysis method using cross-correlation function and FFT can be an effectual method for measuring the frequency and the thickness of concrete plate.

  8. 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.

  9. A new optical parametric amplifier based on lithium thioindate used for sum frequency generation vibrational spectroscopic studies of the amide I mode of an interfacial model peptide.

    PubMed

    York, Roger L; Holinga, George J; Guyer, Dean R; McCrea, Keith R; Ward, Robert S; Somorjai, Gabor A

    2008-09-01

    We describe a new optical parametric amplifier (OPA) that employs lithium thioindate, LiInS2 (LIS), to create tunable infrared light between 1500 cm(-1) and 2000 cm(-1). The OPA based on LIS described within provides intense infrared light with a good beam profile relative to similar OPAs built on silver gallium sulfide, AgGaS2 (AGS), or silver gallium selenide, AgGaSe2 (AGSe). We have used the new LIS OPA to perform surface-specific sum frequency generation (SFG) vibrational spectroscopy of the amide I vibrational mode of a model peptide at the hydrophobic deuterated polystyrene (d8-PS)-phosphate buffered saline interface. This model polypeptide (which is known to be an alpha-helix in the bulk solution under the high ionic strength conditions employed here) contains hydrophobic leucyl (L) residues and hydrophilic lysyl (K) residues, with sequence Ac-LKKLLKLLKKLLKL-NH2. The amide I mode at the d8-PS-buffer interface was found to be centered around 1655 cm(-1). This can be interpreted as the peptide having maintained its alpha-helical structure when adsorbed on the hydrophobic surface, although other interpretations are discussed.

  10. A new optical parametric amplifier based on lithium thioindate used for sum frequency generation vibrational spectroscopic studies of the Amide I mode of an interfacial model peptide

    SciTech Connect

    York, Roger L.; Holinga, George J.; Guyer, Dean R.; McCrea, Keith R.; Ward, Robert S.; Somorjai, Gabor A.

    2008-05-03

    We describe a new optical parametric amplifier (OPA) that employs lithium thioindate, LiInS{sub 2} (LIS), to create tunable infrared light between 1500 cm{sup -1} and 2000 cm{sup -1}. The OPA based on LIS described within provides intense infrared light with a good beam profile relative to similar OPAs built on silver gallium sulfide, AgGaS{sub 2} (AGS), or silver gallium selenide, AgGaSe{sub 2} (AGSe). We have used the new LIS OPA to perform surface-specific sum frequency generation (SFG) vibrational spectroscopy of the amide I vibrational mode of a model peptide at the hydrophobic deuterated polystyrene (d{sub 8}-PS)-phosphate buffered saline interface. This model polypeptide (which is known to be an ?-helix in the bulk solution under the high ionic strength conditions employed here) contains hydrophobic leucyl (L) residues and hydrophilic lysyl (K) residues, with sequence Ac-LKKLLKLLKKLLKL-NH{sub 2}. The amide I mode at the d{sub 8}-PS-buffer interface was found to be centered around 1655 cm{sup -1}. This can be interpreted as the peptide having maintained its {alpha}-helical structure when adsorbed on the hydrophobic surface, although other interpretations are discussed.

  11. Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn-Sham complete basis set limit.

    PubMed

    Buczek, Aneta; Kupka, Teobald; Broda, Małgorzata A; Żyła, Adriana

    2016-01-01

    In this work, regular convergence patterns of the structural, harmonic, and VPT2-calculated anharmonic vibrational parameters of ethylene towards the Kohn-Sham complete basis set (KS CBS) limit are demonstrated for the first time. The performance of the VPT2 scheme implemented using density functional theory (DFT-BLYP and DFT-B3LYP) in combination with two Pople basis sets (6-311++G** and 6-311++G(3df,2pd)), the polarization-consistent basis sets pc-n, aug-pc-n, and pcseg-n (n = 0, 1, 2, 3, 4), and the correlation-consistent basis sets cc-pVXZ and aug-cc-pVXZ (X = D, T, Q, 5, 6) was tested.The BLYP-calculated harmonic frequencies were found to be markedly closer than the B3LYP-calculated harmonic frequencies to the experimentally derived values, while the calculated anharmonic frequencies consistently underestimated the observed wavenumbers. The different basis set families gave very similar estimated values for the CBS parameters. The anharmonic frequencies calculated with B3LYP/aug-pc-3 were consistently significantly higher than those obtained with the pc-3 basis set; applying the aug-pcseg-n basis set family alleviated this problem. Utilization of B3LYP/aug-pcseg-n basis sets instead of B3LYP/aug-cc-pVXZ, which is computationally less expensive, is suggested for medium-sized molecules. Harmonic BLYP/pc-2 calculations produced fairly accurate ethylene frequencies. Graphical Abstract In this study, the performance of the VPT2 scheme implemented using density functional theory (DFT-BLYP and DFT-B3LYP) in combination with the polarization-consistent basis sets pc-n, aug-pc-n, and pcseg-n (n = 0, 1, 2, 3, 4), and the correlation-consistent basis sets cc-pVXZ and aug-cc-pVXZ (X = D, T, Q, 5, and 6) was tested. For the first time, we demonstrated regular convergence patterns of the structural, harmonic, and VPT2-calculated anharmonic vibrational parameters of ethylene towards the Kohn-Sham complete basis set (KS CBS) limit.

  12. Low-magnitude, high-frequency vibration promotes the adhesion and the osteogenic differentiation of bone marrow-derived mesenchymal stem cells cultured on a hydroxyapatite-coated surface: The direct role of Wnt/β-catenin signaling pathway activation.

    PubMed

    Chen, Bailing; Lin, Tao; Yang, Xiaoxi; Li, Yiqiang; Xie, Denghui; Zheng, Wenhui; Cui, Haowen; Deng, Weimin; Tan, Xin

    2016-11-01

    The positive effect of low-magnitude, high‑frequency (LMHF) vibration on implant osseointegration has been demonstrated; however, the underlying cellular and molecular mechanisms remain unknown. The aim of this study was to explore the effect of LMHF vibration on the adhesion and the osteogenic differentiation of bone marrow-derived mesenchymal stem cells (BMSCs) cultured on hydroxyapatite (HA)-coated surfaces in an in vitro model as well as to elucidate the molecular mechanism responsible for the effects of LMHF vibration on osteogenesis. LMHF vibration resulted in the increased expression of fibronectin, which was measured by immunostaining and RT-qPCR. Stimulation of BMSCs by LMHF vibration resulted in the rearrangement of the actin cytoskeleton with more prominent F-actin. Moreover, the expression of β1 integrin, vinculin and paxillin was notably increased following LMHF stimulation. Scanning electron microscope observations revealed that there were higher cell numbers and more extracellular matrix attached to the HA-coated surface in the LMHF group. Alkaline phosphatase activity as well as the expression of osteogenic-specific genes, namely Runx2, osterix, collagen I and osteocalcin, were significantly elevated in the LMHF group. In addition, the protein expression of Wnt10B, β-catenin, Runx2 and osterix was increased following exposure to LMHF vibration. Taken together, the findings of this study indicate that LMHF vibration promotes the adhesion and the osteogenic differentiation of BMSCs on HA-coated surfaces in vitro, and LMHF vibration may directly induce osteogenesis by activating the Wnt/β‑catenin signaling pathway. These data suggest that LMHF vibration enhances the osseointegration of bone to a HA-coated implant, and provide a scientific foundation for improving bone-implant osseointegration through the application of LMHF vibration.

  13. 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.

  14. 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.

  15. Sum Frequency Vibrational Spectroscopy (SFVS) of Water and Hydroxyls on the Corundum (1-102) surface: Acid-base properties from direct observation of protonation states

    NASA Astrophysics Data System (ADS)

    Waychunas, G.; Sung, J.; Shen, R.

    2010-12-01

    SFVS is a powerful tool for quantitative measurement of protonated functional groups on mineral surfaces. We demonstrate this for the Corundum (1-102) interface where the orientation and nature of surface hydroxyls on the dry neutral surface can be obtained and compared with Crystal Truncation Rod (CTR) models for the surface termination and most likely functional groups, effectively allowing testing of such models. A scheme for describing the hydrogen bonding among these protonated groups is found to be consistent with surface symmetry and the particular vibrational frequencies observed. The addition of water to the interface alters the hydrogen bonding of the hydroxyls and introduces water-functional group hydrogen bonding. Direct measurement of the SFVS hydroxyl and water band amplitudes can be used to test expected pKa values, and hence link acid-base properties to precise molecular surface entities. The analysis methodology can be applied to analogous nanoparticle surfaces, though with some limitations.

  16. Anisotropy in amorphous films of cross-shaped molecules with an accompanying effect on carrier mobility: Ellipsometric and sum-frequency vibrational spectroscopic studies

    NASA Astrophysics Data System (ADS)

    Oh-e, Masahito; Ogata, Hidenori; Fujita, Yoshimasa; Koden, Mitsuhiro

    2013-03-01

    Variable angle spectroscopic ellipsometry and sum-frequency vibrational spectroscopy have been used to study molecular orientations in thin films used in an organic light-emitting-diode. The films consist of sterically bulky and cross-shaped molecules that have small anisotropy in shape, 2-methyl-9,10-di(2-naphthyl)anthracene (MADN). As a result, anisotropic molecular orientation in the amorphous films has been observed with respect to the surface normal. The short axis of anthracene in MADN molecules, more or less, slightly tilts from the surface plane but preferentially close to the surface with a certain orientational distribution, while the long axis of anthracene is, on average, oriented close to the magic angle from the surface normal. This anisotropic molecular orientation gives rise to better carrier transportation properties than the isotropic orientation.

  17. Adsorption and self-assembly of octyl hydroxamic acid at a fluorite surface as revealed by sum-frequency vibrational spectroscopy.

    PubMed

    Wang, Xuming; Liu, Jin; Miller, Jan D

    2008-09-15

    In the study described here, the surface structure of a self-assembly octyl hydroxamic acid at a calcium fluoride (CaF(2)) surface is evaluated using sum-frequency vibrational spectroscopy (SFVS). Of particular significance are the results that show octyl hydroxamic acid adsorbs at the fluorite surface from octanol solution and has more ordering and molecular conformation than the octyl hydroxamic acid adsorbed from solution. At the fluorite/0.1 M octyl hydroxamic acid octanol solution interface a bilayer-like structure consisting of an octyl hydroxamic acid layer in contact with fluorite and a tilted alcohol layer was observed by SFVS. The alcohol molecules are oriented with respect to the hydroxamic acid monolayer with the OH groups directed towards the bulk alcohol phase and the terminal CH(3) group oriented to face the alkyl chains of the hydroxamic acid monolayer.

  18. Sum frequency generation vibrational spectroscopy (SFG-VS) for complex molecular surfaces and interfaces: Spectral lineshape measurement and analysis plus some controversial issues

    SciTech Connect

    Wang, Hong-Fei

    2016-12-01

    Sum-frequency generation vibrational spectroscopy (SFG-VS) was first developed in the 1980s and it has been proven a uniquely sensitive and surface/interface selective spectroscopic probe for characterization of the structure, conformation and dynamics of molecular surfaces and interfaces. In recent years, there has been significant progress in the development of methodology and instrumentation in the SFG-VS toolbox that has significantly broadened the application to complex molecular surfaces and interfaces. In this review, after presenting a unified view on the theory and methodology focusing on the SFG-VS spectral lineshape, as well as the new opportunities in SFG-VS applications with such developments, some of the controversial issues that have been puzzling the community are to be discussed. The aim of this review is to present to the researchers and students interested in molecular surfaces and interfacial sciences up-to-date perspectives complementary to the existing textbooks and reviews on SFG-VS.

  19. Sum frequency generation vibrational spectroscopy (SFG-VS) for complex molecular surfaces and interfaces: Spectral lineshape measurement and analysis plus some controversial issues

    NASA Astrophysics Data System (ADS)

    Wang, Hong-Fei

    2016-12-01

    Sum-frequency generation vibrational spectroscopy (SFG-VS) was first developed in the 1980s and it has been proven a uniquely sensitive and surface/interface selective spectroscopic probe for characterization of the structure, conformation and dynamics of molecular surfaces and interfaces. In recent years, there have been many progresses in the development of methodology and instrumentation in the SFG-VS toolbox that have significantly broadened the application to complex molecular surfaces and interfaces. In this review, after presenting a unified view on the theory and methodology focusing on the SFG-VS spectral lineshape, as well as the new opportunities in SFG-VS applications with such developments, some of the controversial issues that have been puzzling the community are discussed. The aim of this review is to present to the researchers and students interested in molecular surfaces and interfacial sciences up-to-date perspectives complementary to the existing textbooks and reviews on SFG-VS.

  20. Harmonic Vibrational Frequencies: Approximate Global Scaling Factors for TPSS, M06, and M11 Functional Families Using Several Common Basis Sets.

    PubMed

    Kashinski, D O; Chase, G M; Nelson, R G; Di Nallo, O E; Scales, A N; VanderLey, D L; Byrd, E F C

    2017-03-23

    We propose new approximate global multiplicative scaling factors for the DFT calculation of ground state harmonic vibrational frequencies using functionals from the TPSS, M06, and M11 functional families with standard correlation consistent cc-pVxZ and aug-cc-pVxZ (x = D, T, and Q), 6-311G split valence family, Sadlej and Sapporo polarized triple-ζ basis sets. Results for B3LYP, CAM-B3LYP, B3PW91, PBE, and PBE0 functionals with these basis sets are also reported. A total of 99 harmonic frequencies were calculated for 26 gas-phase organic and nonorganic molecules typically found in detonated solid propellant residue. Our proposed approximate multiplicative scaling factors are determined using a least-squares approach comparing the computed harmonic frequencies to experimental counterparts well established in the scientific literature. A comparison of our work to previously published global scaling factors is made to verify method reliability and the applicability of our molecular test set.

  1. Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution: linear and nonlinear vibrational spectra.

    PubMed

    Kwac, Kijeong; Lee, Hochan; Cho, Minhaeng

    2004-01-15

    By carrying out molecular dynamics simulations of an N-methylacetamide (NMA) in methanol solution, the amide I mode frequency fluctuation and hydrogen bonding dynamics were theoretically investigated. Combining an extrapolation formula developed from systematic ab initio calculation studies of NMA-(CH3OH)n clusters with a classical molecular dynamics simulation method, we were able to quantitatively describe the solvatochromic vibrational frequency shift induced by the hydrogen-bonding interaction between NMA and solvent methanol. It was found that the fluctuating amide I mode frequency distribution is notably non-Gaussian and it can be decomposed into two Gaussian peaks that are associated with two distinctively different solvation structures. The ensemble-average-calculated linear response function associated with the IR absorption is found to be oscillating, which is in turn related to the doublet amide I band shape. Numerically calculated infrared absorption spectra are directly compared with experiment and the agreement was found to be excellent. By using the Onsager's regression hypothesis, the rate constants of the interconversion process between the two solvation structures were obtained. Then, the nonlinear response functions associated with two-dimensional infrared pump-probe spectroscopy were simulated. The physics behind the two-dimensional line shape and origin of the cross peaks in the time-resolved pump-probe spectra is explained and the result is compared with 2D spectra experimentally measured recently by Woutersen et al.

  2. Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided?

    PubMed

    Kesharwani, Manoj K; Brauer, Brina; Martin, Jan M L

    2015-03-05

    We have obtained uniform frequency scaling factors λ(harm) (for harmonic frequencies), λ(fund) (for fundamentals), and λ(ZPVE) (for zero-point vibrational energies (ZPVEs)) for the Weigend-Ahlrichs and other selected basis sets for MP2, SCS-MP2, and a variety of DFT functionals including double hybrids. For selected levels of theory, we have also obtained scaling factors for true anharmonic fundamentals and ZPVEs obtained from quartic force fields. For harmonic frequencies, the double hybrids B2PLYP, B2GP-PLYP, and DSD-PBEP86 clearly yield the best performance at RMSD = 10-12 cm(-1) for def2-TZVP and larger basis sets, compared to 5 cm(-1) at the CCSD(T) basis set limit. For ZPVEs, again, the double hybrids are the best performers, reaching root-mean-square deviations (RMSDs) as low as 0.05 kcal/mol, but even mainstream functionals like B3LYP can get down to 0.10 kcal/mol. Explicitly anharmonic ZPVEs only are marginally more accurate. For fundamentals, however, simple uniform scaling is clearly inadequate.

  3. 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.

  4. Ab initio anharmonic vibrational frequency predictions for linear proton-bound complexes OC-H(+)-CO and N(2)-H(+)-N(2).

    PubMed

    Terrill, Kasia; Nesbitt, David J

    2010-08-01

    Ab initio anharmonic transition frequencies are calculated for strongly coupled (i) asymmetric and (ii) symmetric proton stretching modes in the X-H(+)-X linear ionic hydrogen bonded complexes for OCHCO(+) and N(2)HN(2)(+). The optimized potential surface is calculated in these two coordinates for each molecular ion at CCSD(T)/aug-cc-pVnZ (n = 2-4) levels and extrapolated to the complete-basis-set limit (CBS). Slices through both 2D surfaces reveal a relatively soft potential in the asymmetric proton stretching coordinate at near equilibrium geometries, which rapidly becomes a double minimum potential with increasing symmetric proton acceptor center of mass separation. Eigenvalues are obtained by solution of the 2D Schrödinger equation with potential/kinetic energy coupling explicity taken into account, converged in a distributed Gaussian basis set as a function of grid density. The asymmetric proton stretch fundamental frequency for N(2)HN(2)(+) is predicted at 848 cm(-1), with strong negative anharmonicity in the progression characteristic of a shallow "particle in a box" potential. The corresponding proton stretch fundamental for OCHCO(+) is anomalously low at 386 cm(-1), but with a strong alternation in the vibrational spacing due to the presence of a shallow D(infinityh) transition state barrier (Delta = 398 cm(-1)) between the two equivalent minimum geometries. Calculation of a 2D dipole moment surface and transition matrix elements reveals surprisingly strong combination and difference bands with appreciable intensity throughout the 300-1500 cm(-1) region. Corrected for zero point (DeltaZPE) and thermal vibrational excitation (DeltaE(vib)) at 300 K, the single and double dissociation energies in these complexes are in excellent agreement with thermochemical gas phase ion data.

  5. Catalyzed hydrogenation of nitrogen and ethylene on metal (Fe, Pt) single crystal surfaces and effects of coadsorption: A sum frequency generation vibrational spectroscopy study

    SciTech Connect

    Westerberg, Staffan Per Gustav

    2004-01-01

    High-pressure catalytic reactions and associated processes, such as adsorption have been studied on a molecular level on single crystal surfaces. Sum Frequency Generation (SFG) vibrational spectroscopy together with Auger Electron Spectroscopy (AES), Temperature Programmed Desorption (TPD) and Gas Chromatography (GC) were used to investigate the nature of species on catalytic surfaces and to measure the catalytic reaction rates. Special attention has been directed at studying high-pressure reactions and in particular, ammonia synthesis in order to identify reaction intermediates and the influence of adsorbates on the surface during reaction conditions. The adsorption of gases N2, H2, O2 and NH3 that play a role in ammonia synthesis have been studied on the Fe(111) crystal surface by sum frequency generation vibrational spectroscopy using an integrated Ultra-High Vacuum (UHV)/high-pressure system. SFG spectra are presented for the dissociation intermediates, NH2 (~3325 cm-1) and NH (~3235 cm-1) under high pressure of ammonia (200 Torr) on the clean Fe(111) surface. Addition of 0.5 Torr of oxygen to 200 Torr of ammonia does not significantly change the bonding of dissociation intermediates to the surface. However, it leads to a phase change of nearly 180° between the resonant and non-resonant second order non-linear susceptibility of the surface, demonstrated by the reversal of the SFG spectral features. Heating the surface in the presence of 200 Torr ammonia and 0.5 Torr oxygen reduces the oxygen coverage, which can be seen from the SFG spectra as another relative phase change of 180°. The reduction of the oxide is also supported by Auger electron spectroscopy. The result suggests that the phase change of the spectral features could serve as a sensitive indicator of the chemical environment of the adsorbates.

  6. Can the state of platinum species be unambiguously determined by the stretching frequency of an adsorbed CO probe molecule?

    PubMed

    Aleksandrov, Hristiyan A; Neyman, Konstantin M; Hadjiivanov, Konstantin I; Vayssilov, Georgi N

    2016-08-10

    The paper addresses possible ambiguities in the determination of the state of platinum species by the stretching frequency of a CO probe, which is a common technique for characterization of platinum-containing catalytic systems. We present a comprehensive comparison of the available experimental data with our theoretical modeling (density functional) results of pertinent systems - platinum surfaces, nanoparticles and clusters as well as reduced or oxidized platinum moieties on a ceria support. Our results for CO adsorbed on-top on metallic Pt(0), with C-O vibrational frequencies in the region 2018-2077 cm(-1), suggest that a decrease of the coordination number of the platinum atom, to which CO is bound, by one lowers the CO frequency by about 7 cm(-1). This trend corroborates the Kappers-van der Maas correlation derived from the analysis of the experimental stretching frequency of CO adsorbed on platinum-containing samples on different supports. We also analyzed the effect of the charge of platinum species on the CO frequency. Based on the calculated vibrational frequencies of CO in various model systems, we concluded that the actual state of the platinum species may be mistaken based only on the measured value of the C-O vibrational frequency due to overlapping regions of frequencies corresponding to different types of species. In order to identify the actual state of platinum species one has to combine this powerful technique with other approaches.

  7. A Forced Vibration Non-Resonant Method for the Determination of Complex Modulus in the Audio Frequency Range

    DTIC Science & Technology

    1992-01-01

    water -borne sound when used in anechoic coatings1 . The frequency and temperature dependence of the viscoelastic properties of polymers is essential...strain on the sample, 8: E t11=tan 8- E’ - tanq ) [8] In this case the measured phase angle, p, is identical with 8, the angle between stress and strain

  8. Exploring Relative Thermodynamic Stabilities of Formic Acid and Formamide Dimers - Role of Low-Frequency Hydrogen-Bond Vibrations.

    PubMed

    Cato, Michael A; Majumdar, D; Roszak, Szczepan; Leszczynski, Jerzy

    2013-02-12

    The low-frequency fundamentals together with the high-frequency modes, responsible for hydrogen bonding (OH/NH stretching modes), were analyzed to correlate the intensities with the hydrogen-bond strengths/binding energies of the formic acid and formamide dimers using Møller-Plesset second-order perturbation (MP2) and coupled cluster computations with explicit anharmonicity corrections. Linear correlations were observed for both the formic acid and formamide dimers, and as consequence of such correlation an additive properties of binding energies with respect to the local hydrogen-bond energies of fragments involved (for these dimers) has been proposed. It has been further observed that (i) the nature of their six low-frequency fundamentals are very similar, and (ii) the in-plane bending and stretch-bend fundamentals of different dimers of these two species (depending on the dimer structure), in this low-frequency region, modulate their strength of hydrogen-bond/binding hence their relative stability order. These results were further verified against the results from Gaussian-G4-MP2 (G4MP2), Gaussian-G2-MP2 (G2MP2), and complete basis set (CBS-QB3) methods of high accuracy energy calculations.

  9. Palladium(II) and platinum(II) complexes containing benzimidazole ligands: Molecular structures, vibrational frequencies and cytotoxicity

    NASA Astrophysics Data System (ADS)

    Abdel Ghani, Nour T.; Mansour, Ahmed M.

    2011-04-01

    (1H-benzimidazol-2-ylmethyl)-(4-methoxyl-phenyl)-amine (L 1), (1H-benzimidazol-2-ylmethyl)-(4-methyl-phenyl)-amine (L 2) and their Pd(II) and Pt(II) complexes have been synthesized as potential anticancer compounds and their structures were elucidated using a variety of physico-chemical techniques. Theoretical calculations invoking geometry optimization, vibrational assignments, 1H NMR, charge distribution and molecular orbital description HOMO and LUMO were done using density functional theory. Natural bond orbital analysis (NBO) method was performed to provide details about the type of hybridization and the nature of bonding in the studied complexes. Strong coordination bonds (LP(1)N11 → σ *(M sbnd Cl22)) and (LP(1)N21 → σ *(M sbnd Cl23)) (M = Pd or Pt) result from donation of electron density from a lone pair orbital on the nitrogen atoms to the acceptor metal molecular orbitals. The experimental results and the calculated molecular parameters revealed square-planar geometries around the metallic centre through the pyridine-type nitrogen of the benzimidazole ring and secondary amino group and two chlorine atoms. The activation thermodynamic parameters were calculated using non-isothermal methods. The synthesized ligands, in comparison to their metal complexes were screened for their antibacterial activity. In addition, the studied complexes showed activity against three cell lines of different origin, breast cancer (MCF-7), Colon Carcinoma (HCT) and human heptacellular carcinoma (Hep-G2) comparable to cis-platin.

  10. Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues

    SciTech Connect

    Fortenberry, Ryan C.; Francisco, Joseph S.

    2015-08-28

    The SNO and OSN radical isomers are likely to be of significance in atmospheric and astrochemistry, but very little is known about their gas phase spectroscopic properties. State-of-the-art ab initio composite quartic force fields are employed to analyze the rovibrational features for both systems. Comparison to condensed-phase experimental data for SNO has shown that the 1566.4 cm{sup −1} ν{sub 1} N–O stretch is indeed exceptionally bright and likely located in this vicinity for subsequent gas phase experimental analysis. The OSN ν{sub 1} at 1209.4 cm{sup −1} is better described as the antisymmetric stretch in this molecule and is also quite bright. The full vibrational, rotational, and rovibrational data are provided for SNO and OSN and their single {sup 15}N, {sup 18}O, and {sup 34}S isotopic substitutions in order to give a more complete picture as to the chemical physics of these molecules.

  11. Observation of the interference between the intramolecular IR-visible and visible-IR processes in the doubly resonant sum frequency generation vibrational spectroscopy of Rhodamine 6G adsorbed at the air/water interface.

    PubMed

    Wu, Dan; Deng, Gang-Hua; Guo, Yuan; Wang, Hong-fei

    2009-05-28

    Using the picosecond visible light at 532.1 nm and infrared light at 2800-3100 cm(-1), we observed the interference between the intramolecular IR-visible and visible-IR processes in the doubly resonant sum frequency generation vibrational spectroscopy of Rhodamine 6G adsorbed at the air/water interface. The interference phenomenon exists for both the C-H stretching vibrations in the 2800-3100 cm(-1) region and the skeleton vibrations in the 1450-1700 cm(-1) region. The relative strength of the visible-IR process at different wavelengths is the result of the electronic structure of the molecule. This is the first direct observation of the visible-IR sum frequency generation process in the electronically excited state of a model molecular system.

  12. Specific features of low-frequency vibrational dynamics and low-temperature heat capacity of double-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Avramenko, M. V.; Roshal, S. B.

    2016-05-01

    A continuous model has been constructed for low-frequency dynamics of a double-walled carbon nanotube. The formation of the low-frequency part of the phonon spectrum of a double-walled nanotube from phonon spectra of its constituent single-walled nanotubes has been considered in the framework of the proposed approach. The influence of the environment on the phonon spectrum of a single double-walled carbon nanotube has been analyzed. A combined method has been proposed for estimating the coefficients of the van der Waals interaction between the walls of the nanotube from the spectroscopic data and the known values of the elastic moduli of graphite. The low-temperature specific heat has been calculated for doublewalled carbon nanotubes, which in the field of applicability of the model ( T < 35 K) is substantially less than the sum of specific heats of two individual single-walled nanotubes forming it.

  13. Time and Frequency Domain Synthesis in the Optimal Design of Shock and Vibration Isolation for Large Structural Systems

    DTIC Science & Technology

    1997-06-01

    DOMAIN SYNTHESIS COMPUTER CODE The computer language used for the frequency domain synthesis and all other computer coding in this thesis is MATLAB V.4.2c... method is really not restrictive in its application, but rather in what information it can provide. D. STATIC DISPLACEMENT SYNTHESIS COMPUTER CODE The...synthesis, and perform a comparative analysis of the synthesis versus classical Guyan reduction methods . The programs presented in Appendix B can be

  14. Multi-frequency Operation of a MEMS Vibration Energy Harvester by Accessing Five Orders of Parametric Resonance

    NASA Astrophysics Data System (ADS)

    Jia, Y.; Yan, J.; Soga, K.; Seshia, A. A.

    2013-12-01

    The mechanical amplification effect of parametric resonance has the potential to outperform direct resonance by over an order of magnitude in terms of power output. However, the excitation must first overcome the damping-dependent initiation threshold amplitude prior to accessing this more profitable region. In addition to activating the principal (1st order) parametric resonance at twice the natural frequency ω0, higher orders of parametric resonance may be accessed when the excitation frequency is in the vicinity of 2ω0/n for integer n. Together with the passive design approaches previously developed to reduce the initiation threshold to access the principal parametric resonance, vacuum packaging (< 10 torr) is employed to further reduce the threshold and unveil the higher orders. A vacuum packaged MEMS electrostatic harvester (0.278 mm3) exhibited 4 and 5 parametric resonance peaks at room pressure and vacuum respectively when scanned up to 10 g. At 5.1 ms-2, a peak power output of 20.8 nW and 166 nW is recorded for direct and principal parametric resonance respectively at atmospheric pressure; while a peak power output of 60.9 nW and 324 nW is observed for the respective resonant peaks in vacuum. Additionally, unlike direct resonance, the operational frequency bandwidth of parametric resonance broadens with lower damping.

  15. Acute and cumulative effects of focused high-frequency vibrations on the endocrine system and muscle strength.

    PubMed

    Iodice, Pierpaolo; Bellomo, Rosa Grazia; Gialluca, Glaugo; Fanò, Giorgio; Saggini, Raoul

    2011-06-01

    The purpose of this study was to evaluate the acute and long-term effects of local high-intensity vibration (HLV, f = 300 Hz) on muscle performance and blood hormone concentrations in healthy young men. Totally 18 subjects (cV group) were studied in two sessions, either without (control) or with HLV treatment. The protocol was the same on both control and test days, except that, in the second session, subjects underwent HLV treatment. Counter-movement jumping (CMJ), maximal isometric voluntary contraction (MVC) test, and hormonal levels were measured before the procedure, immediately thereafter, and 1 h later. To assess the long-term effects of HLV, the cV group was subjected to HLV on the leg muscles for 4 weeks, and a second group (cR group, n = 18) embarked upon a resistance training program. All subjects underwent an MVC test and an isokinetic (100 deg/s) test before training, 4 weeks after training, and 2 months after the end of training. The HLV protocol significantly increased the serum level of growth hormone (GH, P < 0.05) and creatine phosphokinase (CPK, P < 0.05), and decreased the level of cortisol (P < 0.05). None of GH, CPK or testosterone levels were altered in controls. There was a significant improvement in MVC (P < 0.05). After 4 weeks, both the cV and cR groups demonstrated significant improvement in MVC and isokinetic tests (P < 0.05). This increase persisted for at least 2 months. Our results indicate that HLV influences the levels of particular hormones and improves neuromuscular performance. Our results indicate that HLV has a long-term beneficial effect comparable to that of resistance training.

  16. Effect of Solvent Dielectric Constant and Acidity on the OH Vibration Frequency in Hydrogen-Bonded Complexes of Fluorinated Ethanols.

    PubMed

    Pines, Dina; Keinan, Sharon; Kiefer, Philip M; Hynes, James T; Pines, Ehud

    2015-07-23

    Infrared spectroscopy m