Analysis of Harmonic Vibration of Cable-Stayed Footbridge under the Influence of Changes of the Cables Tension

NASA Astrophysics Data System (ADS)

Pakos, Wojciech

2015-09-01

The paper presents numerical analysis of harmonically excited vibration of a cable-stayed footbridge caused by a load function simulating crouching (squats) while changing the static tension in chosen cables. The intentional synchronized motion (e.g., squats) of a single person or group of persons on the footbridge with a frequency close to the natural frequency of the structure may lead to the resonant vibrations with large amplitudes. The appropriate tension changes in some cables cause detuning of resonance on account of stiffness changes of structures and hence detuning in the natural frequency that is close to the excitation frequency. The research was carried out on a 3D computer model of a real structure - a cable-stayed steel footbridge in Leśnica, a quarter of Wrocław, Poland, with the help of standard computer software based on FEM COSMOS/M System.

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

NASA Astrophysics Data System (ADS)

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

2011-11-01

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

Determination of the electromechanical coupling factor of gallium orthophosphate (GaPO4) and its influence on resonance-frequency temperature dependencies.

PubMed

Nosek, Jaroslav; Pustka, Martin

2006-01-01

The quartz homeotype gallium orthophosphate (GaPO4) is a representative of piezoelectric single crystals of large electromechanical coupling factor. It is known that its coupling factor kappa26 associated with the resonators vibrating in the thickness-shear mode is approximately two times greater than that of quartz. This property increases the spacing between the series and parallel resonance frequencies of resonators, as well as the difference between the resonance frequency temperature dependencies of the fundamental and harmonic resonance frequencies of resonators vibrating in the thickness-shear mode. In this paper, the methods for determination of the coupling factor kappa26 are presented, and the computed values are compared with the measured ones. The influence of the coupling factor to the resonance-frequency temperature dependencies of the fundamental and third harmonics of selected rotated Y-cut GaPO4 resonators vibrating in the thickness-shear mode is presented. The purely elastic case for a laterally unbounded plate, which corresponds closely to the limiting case of high harmonic resonance frequency-temperature behavior was assumed for the calculations. The computed temperature coefficients for the Y-cut orientation and calculated turnover point temperatures TTP for different (YX1) orientations are presented.

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

Zhang, Hailong; Vibration Control Lab, School of Electrical and Automation Engineering, Nanjing Normal University, Nanjing 210042; Zhang, Ning

Magneto-rheological (MR) damper possesses inherent hysteretic characteristics. We investigate the resulting nonlinear behaviors of a two degree-of-freedom (2-DoF) MR vibration isolation system under harmonic external excitation. A MR damper is identified by employing the modified Bouc-wen hysteresis model. By numerical simulation, we characterize the nonlinear dynamic evolution of period-doubling, saddle node bifurcating and inverse period-doubling using bifurcation diagrams of variations in frequency with a fixed amplitude of the harmonic excitation. The strength of chaos is determined by the Lyapunov exponent (LE) spectrum. Semi-physical experiment on the 2-DoF MR vibration isolation system is proposed. We trace the time history and phasemore » trajectory under certain values of frequency of the harmonic excitation to verify the nonlinear dynamical evolution of period-doubling bifurcations to chaos. The largest LEs computed with the experimental data are also presented, confirming the chaotic motion in the experiment. We validate the chaotic motion caused by the hysteresis of the MR damper, and show the transitions between distinct regimes of stable motion and chaotic motion of the 2-DoF MR vibration isolation system for variations in frequency of external excitation.« less

Active control of the forced and transient response of a finite beam. M.S. Thesis

NASA Technical Reports Server (NTRS)

Post, John T.

1990-01-01

Structural vibrations from a point force are modelled on a finite beam. This research explores the theoretical limit on controlling beam vibrations utilizing another point source as an active controller. Three different types of excitation are considered, harmonic, random, and transient. For harmonic excitation, control over the entire beam length is possible only when the excitation frequency is near a resonant frequency of the beam. Control over a subregion may be obtained even between resonant frequencies at the cost of increasing the vibration outside of the control region. For random excitation, integrating the expected value of the displacement squared over the required interval, is shown to yield the identical cost function as obtained by integrating the cost function for harmonic excitation over all excitation frequencies. As a result, it is always possible to reduce the cost function for random excitation whether controlling the entire beam or just a subregion, without ever increasing the vibration outside the region in which control is desired. The last type of excitation considered is a single, transient pulse. The form of the controller is specified as either one or two delayed pulses, thus constraining the controller to be casual. The best possible control is examined while varying the region of control and the controller location. It is found that control is always possible using either one or two control pulses.

Compressive Sensing of Roller Bearing Faults via Harmonic Detection from Under-Sampled Vibration Signals

PubMed Central

Tang, Gang; Hou, Wei; Wang, Huaqing; Luo, Ganggang; Ma, Jianwei

2015-01-01

The Shannon sampling principle requires substantial amounts of data to ensure the accuracy of on-line monitoring of roller bearing fault signals. Challenges are often encountered as a result of the cumbersome data monitoring, thus a novel method focused on compressed vibration signals for detecting roller bearing faults is developed in this study. Considering that harmonics often represent the fault characteristic frequencies in vibration signals, a compressive sensing frame of characteristic harmonics is proposed to detect bearing faults. A compressed vibration signal is first acquired from a sensing matrix with information preserved through a well-designed sampling strategy. A reconstruction process of the under-sampled vibration signal is then pursued as attempts are conducted to detect the characteristic harmonics from sparse measurements through a compressive matching pursuit strategy. In the proposed method bearing fault features depend on the existence of characteristic harmonics, as typically detected directly from compressed data far before reconstruction completion. The process of sampling and detection may then be performed simultaneously without complete recovery of the under-sampled signals. The effectiveness of the proposed method is validated by simulations and experiments. PMID:26473858

Vibrations of an Euler-Bernoulli beam with hysteretic damping arising from dispersed frictional microcracks

NASA Astrophysics Data System (ADS)

Maiti, Soumyabrata; Bandyopadhyay, Ritwik; Chatterjee, Anindya

2018-01-01

We study free and harmonically forced vibrations of an Euler-Bernoulli beam with rate-independent hysteretic dissipation. The dissipation follows a model proposed elsewhere for materials with randomly dispersed frictional microcracks. The virtual work of distributed dissipative moments is approximated using Gaussian quadrature, yielding a few discrete internal hysteretic states. Lagrange's equations are obtained for the modal coordinates. Differential equations for the modal coordinates and internal states are integrated together. Free vibrations decay exponentially when a single mode dominates. With multiple modes active, higher modes initially decay rapidly while lower modes decay relatively slowly. Subsequently, lower modes show their own characteristic modal damping, while small amplitude higher modes show more erratic decay. Large dissipation, for the adopted model, leads mathematically to fast and damped oscillations in the limit, unlike viscously overdamped systems. Next, harmonically forced, lightly damped responses of the beam are studied using both a slow frequency sweep and a shooting-method based search for periodic solutions along with numerical continuation. Shooting method and frequency sweep results match for large ranges of frequency. The shooting method struggles near resonances, where internal states collapse into lower dimensional behavior and Newton-Raphson iterations fail. Near the primary resonances, simple numerically-aided harmonic balance gives excellent results. Insights are also obtained into the harmonic content of secondary resonances.

Construction of a mathematical model of the human body, taking the nonlinear rigidity of the spine into account

NASA Technical Reports Server (NTRS)

Glukharev, K. K.; Morozova, N. I.; Potemkin, B. A.; Solovyev, V. S.; Frolov, K. V.

1973-01-01

A mathematical model of the human body was constructed, under the action of harmonic vibrations, in the 2.5-7 Hz frequency range. In this frequency range, the model of the human body as a vibrating system, with concentrated parameters is considered. Vertical movements of the seat and vertical components of vibrations of the human body are investigated.

Efficient forced vibration reanalysis method for rotating electric machines

NASA Astrophysics Data System (ADS)

Saito, Akira; Suzuki, Hiromitsu; Kuroishi, Masakatsu; Nakai, Hideo

2015-01-01

Rotating electric machines are subject to forced vibration by magnetic force excitation with wide-band frequency spectrum that are dependent on the operating conditions. Therefore, when designing the electric machines, it is inevitable to compute the vibration response of the machines at various operating conditions efficiently and accurately. This paper presents an efficient frequency-domain vibration analysis method for the electric machines. The method enables the efficient re-analysis of the vibration response of electric machines at various operating conditions without the necessity to re-compute the harmonic response by finite element analyses. Theoretical background of the proposed method is provided, which is based on the modal reduction of the magnetic force excitation by a set of amplitude-modulated standing-waves. The method is applied to the forced response vibration of the interior permanent magnet motor at a fixed operating condition. The results computed by the proposed method agree very well with those computed by the conventional harmonic response analysis by the FEA. The proposed method is then applied to the spin-up test condition to demonstrate its applicability to various operating conditions. It is observed that the proposed method can successfully be applied to the spin-up test conditions, and the measured dominant frequency peaks in the frequency response can be well captured by the proposed approach.

Forced responses on a radial turbine with nozzle guide vanes

NASA Astrophysics Data System (ADS)

Liu, Yixiong; Yang, Ce; Ma, Chaochen; Lao, DaZhong

2014-04-01

Radial turbines with nozzle guide vanes are widely used in various size turbochargers. However, due to the interferences with guide vanes, the blades of impellers are exposed to intense unsteady aerodynamic excitations, which cause blade vibrations and lead to high cycle failures (HCF). Moreover, the harmonic resonance in some frequency regions are unavoidable due to the wide operation conditions. Aiming to achieve a detail insight into vibration characteristics of radial flow turbine, a numerical method based on fluid structure interaction (FSI) is presented. Firstly, the unsteady aerodynamic loads are determined by computational fluid dynamics (CFD). And the fluctuating pressures are transformed from time domain to frequency domain by fast Fourier-transform (FFT). Then, the entire rotor model is adopted to analyze frequencies and mode shapes considering mistuning in finite element (FE) method. Meanwhile, harmonic analyses, applying the pressure fluctuation from CFD, are conducted to investigate the impeller vibration behavior and blade forced response in frequency domain. The prediction of the vibration dynamic stress shows acceptable agreement to the blade actual damage in consistent tendency.

Exploiting bistable oscillator subharmonics for magnified broadband vibration energy harvesting

NASA Astrophysics Data System (ADS)

Huguet, Thomas; Badel, Adrien; Lallart, Mickaël

2017-10-01

Recent research on primary battery alternatives for supplying autonomous wireless devices has recently highlighted the advantages of nonlinear oscillators' dynamics and more particularly bistable oscillators' behavior for ambient vibration harvesting. The key property of bistable oscillators compared to linear ones is their enhanced operational frequency bandwidth under harmonic excitation, potentially leading to a better adaptation to the environment. However, the classical frequency response characterization of such devices does not reveal all the possible dynamic behaviors offered by bistable oscillators. Thus, subharmonic motions are experimentally investigated in this letter, and their energy harvesting potential as well as their ability to enhance the bistable generator bandwidth is evaluated. The results obtained with a generator integrating buckled beams for the bistability feature show that, in addition to the commonly considered harmonic behavior, subharmonics allow widening of the useful operating frequency band of the bistable microgenerator by 180% compared to the sole exploitation of the first harmonic motion.

Transonic streamline of symmetric wing under the influence unilateral oscillations characterized by the spectrum of two frequencies

NASA Astrophysics Data System (ADS)

Zamuraev, V. P.; Kalinina, A. P.

2017-10-01

Forced high-frequency vibrations of the airfoil surface part with the amplitude almost equal to the sound velocity can change significantly the lift force of the symmetric profile streamlined at zero angle of attack. The oscillation consists of two harmonics. The ratio of harmonics frequencies values is equal to 2. The present work shows that the aerodynamic properties depend significantly on the specific energy contribution of each frequency.

Non-resonant dynamic stark control of vibrational motion with optimized laser pulses

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

Thomas, Esben F.; Henriksen, Niels E.

2016-06-28

The term dynamic Stark control (DSC) has been used to describe methods of quantum control related to the dynamic Stark effect, i.e., a time-dependent distortion of energy levels. Here, we employ analytical models that present clear and concise interpretations of the principles behind DSC. Within a linearly forced harmonic oscillator model of vibrational excitation, we show how the vibrational amplitude is related to the pulse envelope, and independent of the carrier frequency of the laser pulse, in the DSC regime. Furthermore, we shed light on the DSC regarding the construction of optimal pulse envelopes — from a time-domain as wellmore » as a frequency-domain perspective. Finally, in a numerical study beyond the linearly forced harmonic oscillator model, we show that a pulse envelope can be constructed such that a vibrational excitation into a specific excited vibrational eigenstate is accomplished. The pulse envelope is constructed such that high intensities are avoided in order to eliminate the process of ionization.« less

Broadband piezoelectric vibration energy harvesting using a nonlinear energy sink

NASA Astrophysics Data System (ADS)

Xiong, Liuyang; Tang, Lihua; Liu, Kefu; Mace, Brian R.

2018-05-01

A piezoelectric vibration energy harvester (PVEH) is capable of converting waste or undesirable ambient vibration energy into useful electric energy. However, conventional PVEHs typically work in a narrow frequency range, leading to low efficiency in practical application. This work proposes a PVEH based on the principle of the nonlinear energy sink (NES) to achieve broadband energy harvesting. An alternating current circuit with a resistive load is first considered in the analysis of the dynamic properties and electric performance of the NES-based PEVH. Then, a standard rectifying direct current (DC) interface circuit is developed to evaluate the DC power from the PVEH. To gain insight into the NES mechanism involved, approximate analysis of the proposed PVEH systems under harmonic excitation is sought using the mixed multi-scale and harmonic balance method and the Newton–Raphson harmonic balance method. In addition, an equivalent circuit model (ECM) of the electromechanical system is derived and circuit simulations are conducted to explore and validate the energy harvesting and vibration absorption performance of the proposed NES-based PVEH. The response is also compared with that obtained by direct numerical integration of the equations of motion. Finally, the optimal resistance to obtain the maximum DC power is determined based on the Newton–Raphson harmonic balance method and validated by the ECM. In general, the NES-based PVEH can absorb the vibration from the primary structure and collect electric energy within a broad frequency range effectively.

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.

Vibrational modes in thymine molecule from an ab initio MO calculation

NASA Astrophysics Data System (ADS)

Aida, Misako; Kaneko, Motohisa; Dupuis, Michel; Ueda, Toyotoshi; Ushizawa, Koichi; Ito, Gen; Kumakura, Akiko; Tsuboi, Masamichi

1997-03-01

Ab initio self-consistent field molecular orbital (SCF MO) calculations have been made of the thymine molecule for the equilibrium geometry, harmonic force constants, vibrational frequencies, vibrational modes, infrared intensities, and Raman intensities. The results have been correlated with the observed Raman and infrared spectra of thymine crystalline powder.

Method and apparatus for vibrating a substrate during material formation

DOEpatents

Bailey, Jeffrey A [Richland, WA; Roger, Johnson N [Richland, WA; John, Munley T [Benton City, WA; Walter, Park R [Benton City, WA

2008-10-21

A method and apparatus for affecting the properties of a material include vibrating the material during its formation (i.e., "surface sifting"). The method includes the steps of providing a material formation device and applying a plurality of vibrations to the material during formation, which vibrations are oscillations having dissimilar, non-harmonic frequencies and at least two different directions. The apparatus includes a plurality of vibration sources that impart vibrations to the material.

Multi-Frequency Harmonics Technique for HIFU Tissue Treatment

NASA Astrophysics Data System (ADS)

Rybyanets, Andrey N.; Lugovaya, Maria A.; Rybyanets, Anastasia A.

2010-03-01

New technique for enhancing of tissue lysis and enlarging treatment volume during one HIFU sonification is proposed. The technique consists in simultaneous or alternative (at optimal repetition frequency) excitation of single element HIFU transducer on a frequencies corresponding to odd natural harmonics of piezoceramic element at ultrasound energy levels sufficient for producing cavitational, thermal or mechanical damage of fat cells at each of aforementioned frequencies. Calculation and FEM modeling of transducer vibrations and acoustic field patterns for different frequencies sets were performed. Acoustic pressure in focal plane was measured in water using calibrated hydrophone and 3D acoustic scanning system. In vitro experiments on different tissues and phantoms confirming the advantages of multifrequency harmonic method were performed.

Vibrational spectral investigation, NBO, first hyperpolarizability and UV-Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods.

PubMed

Senthil kumar, J; Jeyavijayan, S; Arivazhagan, M

2015-02-05

The FT-IR and FT-Raman spectra of 3,5-dichlorobenzonitrile and m-bromobenzonitrile have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The optimized geometry, wave numbers and intensity of vibrational bonds of title molecules are obtained by ab initio and DFT level of theory with complete relaxation in the potential energy surface using 6-311++G(d, p) basis set. A complete vibrational assignments aided by the theoretical harmonic frequency, analysis have been proposed. The harmonic vibrational frequencies calculated have been compared with experimental FT-IR and FT-Raman spectra. The observed and calculated frequencies are found to be in good agreement. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The UV-Vis spectral analysis of the molecules has also been done which confirms the charge transfer of the molecules. Furthermore, the first hyperpolarizability and total dipole moment of the molecules have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Parametrically disciplined operation of a vibratory gyroscope

NASA Technical Reports Server (NTRS)

Shcheglov, Kirill V. (Inventor); Challoner, A. Dorian (Inventor); Hayworth, Ken J. (Inventor); Peay, Chris S. (Inventor)

2008-01-01

Parametrically disciplined operation of a symmetric nearly degenerate mode vibratory gyroscope is disclosed. A parametrically-disciplined inertial wave gyroscope having a natural oscillation frequency in the neighborhood of a sub-harmonic of an external stable clock reference is produced by driving an electrostatic bias electrode at approximately twice this sub-harmonic frequency to achieve disciplined frequency and phase operation of the resonator. A nearly symmetric parametrically-disciplined inertial wave gyroscope that can oscillate in any transverse direction and has more than one bias electrostatic electrode that can be independently driven at twice its oscillation frequency at an amplitude and phase that disciplines its damping to zero in any vibration direction. In addition, operation of a parametrically-disciplined inertial wave gyroscope is taught in which the precession rate of the driven vibration pattern is digitally disciplined to a prescribed non-zero reference value.

Dynamic characteristics of the blisk with synchronized switch damping based on negative capacitor

NASA Astrophysics Data System (ADS)

Liu, J.; Li, L.; Huang, X.; Jezequel, L.

2017-10-01

In this paper, we propose a method to suppress the vibration of the integral bladed disk ('blisk' for short) in aero-engines using synchronized switch damping based on negative capacitor (SSDNC). Different from the classical piezoelectric shunt damping, SSDNC is a type of nonlinear piezoelectric damping. A multi-harmonic balance method combined with the alternating frequency/time method (MHBM-AFT) is used to predict and further analyze the dynamic characteristics of the electromechanical system, and an arc-length continuation technique is used to improve the convergence of the method. In order to validate the algorithm as well as to recognize the characteristics of the system with SSDNC, a two degree-of-freedom (2-DOF) system with SSDNC is studied at first. The nonlinear complex modal information is calculated and compared with those of the corresponding system with a linear RL shunt circuit. The results indicate that the natural frequencies and modal damping ratio do not change with the modal amplitude, which means that SSDNC has the same modal damping corresponding to different system energy levels. In addition, SSDNC can improve the damping level of all the modes nearly without affecting the natural frequencies of the system. Then, the forced response of the blisk with SSDNC in the frequency domain is calculated and analyzed, including a tuned blisk, which is excited by the traveling wave excitation with a single harmonic and multi-harmonic, and a mistuned blisk, which is excited by traveling wave excitation with a single harmonic and multi-harmonic. We present two advantages of the SSDNC technique when compared with piezoelectric shunt damping. First, SSDNC can suppress the vibration of the blisk under a multi-harmonic wideband the traveling wave, and second, the vibration suppression performance of SSDNC is insensitive to the mistuning of mechanical parameters of the blisk. The results will be of great significance in overcoming the problem of the amplitude magnification induced by the inevitable mistuning of the blisk in aero-engines.

Vibration Analysis of Composite Laminate Plate Excited by Piezoelectric Actuators

PubMed Central

Her, Shiuh-Chuan; Lin, Chi-Sheng

2013-01-01

Piezoelectric materials can be used as actuators for the active vibration control of smart structural systems. In this work, piezoelectric patches are surface bonded to a composite laminate plate and used as vibration actuators. A static analysis based on the piezoelectricity and elasticity is conducted to evaluate the loads induced by the piezoelectric actuators to the host structure. The loads are then employed to develop the vibration response of a simply supported laminate rectangular plate excited by piezoelectric patches subjected to time harmonic voltages. An analytical solution of the vibration response of a simply supported laminate rectangular plate under time harmonic electrical loading is obtained and compared with finite element results to validate the present approach. The effects of location and exciting frequency of piezoelectric actuators on the vibration response of the laminate plate are investigated through a parametric study. Numerical results show that modes can be selectively excited, leading to structural vibration control. PMID:23529121

Sub-nano tesla magnetic imaging based on room-temperature magnetic flux sensors with vibrating sample magnetometry

NASA Astrophysics Data System (ADS)

Adachi, Yoshiaki; Oyama, Daisuke

2017-05-01

We developed a two-dimensional imaging method for weak magnetic charge distribution using a commercially available magnetic impedance sensor whose magnetic field resolution is 10 pT/Hz1/2 at 10 Hz. When we applied the vibrating sample magnetometry, giving a minute mechanical vibration to the sample and detecting magnetic signals modulated by the vibration frequency, the effects of 1/f noise and the environmental low-frequency band noise were suppressed, and a weak magnetic charge distribution was obtained without magnetic shielding. Furthermore, improvement in the spatial resolution was also expected when the signals were demodulated at the second harmonic frequency of the vibration. In this paper, a preliminary magnetic charge imaging using the vibrating sample magnetometry and its results are demonstrated.

A use of regression analysis in acoustical diagnostics of gear drives

NASA Technical Reports Server (NTRS)

Balitskiy, F. Y.; Genkin, M. D.; Ivanova, M. A.; Kobrinskiy, A. A.; Sokolova, A. G.

1973-01-01

A study is presented of components of the vibration spectrum as the filtered first and second harmonics of the tooth frequency which permits information to be obtained on the physical characteristics of the vibration excitation process, and an approach to be made to comparison of models of the gearing. Regression analysis of two random processes has shown a strong dependence of the second harmonic on the first, and independence of the first from the second. The nature of change in the regression line, with change in loading moment, gives rise to the idea of a variable phase shift between the first and second harmonics.

Deformation of Fluid Column by Action of Axial Vibration and Some Aspects of High-Rate Thermocapillary Convection

NASA Technical Reports Server (NTRS)

Feonychev, Alexander I.; Kalachinskaya, Irina S.; Pokhilko, Victor I.

1996-01-01

The deformation of the fluid column by an action of a low-frequency vibration is considered. It is shown that behavior of the free fluid surface depends on the frequency of applied vibration and its amplitude. In the area of very low frequencies when fluid has time to comment on travel of bounding solid walls limiting column, the harmonical oscillations of free surface with given frequency are observed. With increase of vibration frequency the steady-state relief on free fluid surface is formed. If the amplitude of vibration is very small and the frequency corresponding to the first peak in the vibration spectrum on the Mir orbital station, the deformation of free surface tends to zero. Fluid flow induced thermocapillary effect on deformed free surface is more unstable as in the case of smooth cylindrical surface. It was shown that width of heating zone affects very essentially the flow pattern and transition to oscillatory regime of thermocapillary convection.

Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

NASA Astrophysics Data System (ADS)

Chiang, C. K.; Xue, David Y.; Mei, Chuh

1993-04-01

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

Nonlinear vibrations of thin arbitrarily laminated composite plates subjected to harmonic excitations using DKT elements

NASA Technical Reports Server (NTRS)

Chiang, C. K.; Xue, David Y.; Mei, Chuh

1993-01-01

A finite element formulation is presented for determining the large-amplitude free and steady-state forced vibration response of arbitrarily laminated anisotropic composite thin plates using the Discrete Kirchhoff Theory (DKT) triangular elements. The nonlinear stiffness and harmonic force matrices of an arbitrarily laminated composite triangular plate element are developed for nonlinear free and forced vibration analyses. The linearized updated-mode method with nonlinear time function approximation is employed for the solution of the system nonlinear eigenvalue equations. The amplitude-frequency relations for convergence with gridwork refinement, triangular plates, different boundary conditions, lamination angles, number of plies, and uniform versus concentrated loads are presented.

Magneto-Radar Hidden Metal Detector

DOEpatents

McEwan, Thomas E.

2005-07-05

A varying magnetic field excites slight vibrations in an object and a radar sensor detects the vibrations at a harmonic of the excitation frequency. The synergy of the magnetic excitation and radar detection provides increased detection range compared to conventional magnetic metal detectors. The radar rejects background clutter by responding only to reflecting objects that are vibrating at a harmonic excitation field, thereby significantly improving detection reliability. As an exemplary arrangement, an ultra-wideband micropower impulse radar (MIR) is capable of being employed to provide superior materials penetration while providing range information. The magneto-radar may be applied to pre-screening magnetic resonance imaging (MRI) patients, landmine detection and finding hidden treasures.

Analytically optimal parameters of dynamic vibration absorber with negative stiffness

NASA Astrophysics Data System (ADS)

Shen, Yongjun; Peng, Haibo; Li, Xianghong; Yang, Shaopu

2017-02-01

In this paper the optimal parameters of a dynamic vibration absorber (DVA) with negative stiffness is analytically studied. The analytical solution is obtained by Laplace transform method when the primary system is subjected to harmonic excitation. The research shows there are still two fixed points independent of the absorber damping in the amplitude-frequency curve of the primary system when the system contains negative stiffness. Then the optimum frequency ratio and optimum damping ratio are respectively obtained based on the fixed-point theory. A new strategy is proposed to obtain the optimum negative stiffness ratio and make the system remain stable at the same time. At last the control performance of the presented DVA is compared with those of three existing typical DVAs, which were presented by Den Hartog, Ren and Sims respectively. The comparison results in harmonic and random excitation show that the presented DVA in this paper could not only reduce the peak value of the amplitude-frequency curve of the primary system significantly, but also broaden the efficient frequency range of vibration mitigation.

Computing multiple periodic solutions of nonlinear vibration problems using the harmonic balance method and Groebner bases

NASA Astrophysics Data System (ADS)

Grolet, Aurelien; Thouverez, Fabrice

2015-02-01

This paper is devoted to the study of vibration of mechanical systems with geometric nonlinearities. The harmonic balance method is used to derive systems of polynomial equations whose solutions give the frequency component of the possible steady states. Groebner basis methods are used for computing all solutions of polynomial systems. This approach allows to reduce the complete system to an unique polynomial equation in one variable driving all solutions of the problem. In addition, in order to decrease the number of variables, we propose to first work on the undamped system, and recover solution of the damped system using a continuation on the damping parameter. The search for multiple solutions is illustrated on a simple system, where the influence of the retained number of harmonic is studied. Finally, the procedure is applied on a simple cyclic system and we give a representation of the multiple states versus frequency.

Characterisation of parallel misalignment in rotating machines by means of the modulated signal of incremental encoders

NASA Astrophysics Data System (ADS)

Meroño Pérez, P. A.; Gómez de León, F. C.; Zaghar, L.

2014-10-01

There are many defects in rotating machines which, when analysed by means of the Fourier spectrum of transversal vibration, show several harmonics of the rotational speed, more specifically the first and the second, although higher harmonics may also be present. Misalignments, looseness, the breakage of fastening screws, broken mechanical seals, are just some of the problems. Nevertheless, the effects of some of these defects differ when the angular vibration is measured using an incremental rotating encoder, which offers an additional aid for diagnosing the problem. In this paper, we analyse the characteristics measurements made of the angular vibrations by means of an incremental rotating encoder, in cases of a parallel misalignment between coupled shafts. The spectral frequency lines obtained from the pulse signal generated by the encoder show a series of equidistant lateral bands around the main frequency, which reveals the existence of a specific angular vibration and, therefore, the frequency modulation produced. The phenomenon is explained using the Bessel functions, which establishes a relationship between the frequency spectrum of the angular vibration and the modulated signal from the encoder. The spectral analysis of the pulsating signal of the encoder displays a set of main lines, which are multiples of the main frequency of the pulses, and a set of sidebands around each one of these spectral lines. The method proposed is verified by means of measurements made on laboratory test benches and on industrial equipment, comparing and analysing the angular vibrations, which are measured using a laser interferometer and incremental encoders.

Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.0 1,5]dec-8-ene-3,3-dioxide

NASA Astrophysics Data System (ADS)

Arslan, Hakan; Demircan, Aydın; Göktürk, Ersen

2008-01-01

The IR spectra of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.0 1,5]dec-8-ene-3,3-dioxide (COTDO) has been recorded in the region 4000-525 cm -1. The optimized molecular geometry, frequency and intensity of the vibrational bands of COTDO in the ground state has been calculated using the Hartree-Fock and density functional using Becke's three-parameter hybrid method with the Lee, Yang, and Parr correlation functional methods with 6-31G(d,p) and 6-311G(d,p) basis sets. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experimental IR spectra. The calculated geometrical parameters and harmonic vibrations are predicted in a very good agreement with the experimental data. The theoretical vibrational spectra of the title compound were interpreted by means of potential energy distributions (PEDs) using VEDA 4 program. With the help of this modern technique we were able to complete the assignment of the vibrational spectra of the title compound.

In vivo time-harmonic multifrequency elastography of the human liver

NASA Astrophysics Data System (ADS)

Tzschätzsch, Heiko; Ipek-Ugay, Selcan; Guo, Jing; Streitberger, Kaspar-Josche; Gentz, Enno; Fischer, Thomas; Klaua, Robert; Schultz, Michael; Braun, Jürgen; Sack, Ingolf

2014-04-01

Elastography is capable of noninvasively detecting hepatic fibrosis by imposing mechanical stress and measuring the viscoelastic response in the liver. Magnetic resonance elastography (MRE) relies on time-harmonic vibrations, while most dynamic ultrasound elastography methods employ transient stimulation methods. This study attempts to benefit from the advantages of time-harmonic tissue stimulation, i.e. relative insensitivity to obesity and ascites and mechanical approachability of the entire liver, and the advantages of ultrasound, i.e. time efficiency, low costs, and wide availability, by introducing in vivo time-harmonic elastography (THE) of the human liver using ultrasound and a broad range of harmonic stimulation frequencies. THE employs continuous harmonic shear vibrations at 7 frequencies from 30 to 60 Hz in a single examination and determines the elasticity and the viscosity of the liver from the dispersion of the shear wave speed within the applied frequency range. The feasibility of the method is demonstrated in the livers of eight healthy volunteers and a patient with cirrhosis. Multifrequency MRE at the same drive frequencies was used as elastographic reference method. Similar values of shear modulus and shear viscosity according the Kelvin-Voigt model were obtained by MRE and THE, indicating that the new method is suitable for in vivo quantification of the shear viscoelastic properties of the liver, however, in real-time and at a fraction of the costs of MRE. In conclusion, THE may provide a useful tool for fast assessment of the viscoelastic properties of the liver at low costs and without limitations in obesity, ascites or hemochromatosis.

Influence of vibrational states on high-order-harmonic generation and an isolated attosecond pulse from a N2 molecule

NASA Astrophysics Data System (ADS)

Guo, Jing; Ge, Xin-Lei; Zhong, Huiying; Zhao, Xi; Zhang, Meixia; Jiang, Yuanfei; Liu, Xue-Shen

2014-11-01

The high-order-harmonic generation (HHG) from the N2 molecule in an intense laser field is investigated by applying the Lewenstein method. The initial state is constructed as a linear combination of the highest occupied molecular orbital (HOMO) and the lower-lying orbital below the HOMO, which is well described by a Gaussian wave packet generated by using the gamess-uk package. The HHG with different vibrational states of N2 are calculated and our results show that the harmonic intensity can be enhanced by higher vibrational states, which can be explained by the ionization probability. We also compared the cases with a different full width at half maximum of laser fields together, which can be well understood by the time-frequency analysis and the three-step model. Finally, the attosecond pulse generation is studied with different vibrational states, where a series of attosecond pulses can be produced with the shortest being 91 as.

Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

NASA Astrophysics Data System (ADS)

Sert, Yusuf; Çırak, Çağrı; Ucun, Fatih

2013-04-01

In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm-1) and μ-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF), density functional B3LYP and M06-2X methods with 6-311++G(d,p) basis set by Gaussian 09 W program, for the first time. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found.

Harmonic vibro-acoustography.

PubMed

Chen, Shigao; Kinnick, Randall R; Greenleaf, James F; Fatemi, Mostafa

2007-07-01

Vibro-acoustography is an imaging method that uses the radiation force of two interfering ultrasound beams of slightly different frequency to probe an object. An image is made using the acoustic emission resulted from the object vibration at the difference frequency. In this paper, the feasibility of imaging objects at twice the difference frequency (harmonic acoustic emission) is studied. Several possible origins of harmonic acoustic emission are explored. As an example, it is shown that microbubbles close to resonance can produce significant harmonic acoustic emission due to its high nonlinearity. Experiments demonstrate that, compared to the fundamental acoustic emission, harmonic acoustic emission greatly improves the contrast between microbubbles and other objects in vibro-acoustography (an improvement of 17-23 dB in these experiments). Applications of this technique include imaging the nonlinearity of the object and selective detection of microbubbles for perfusion imaging. The impact of microbubble destruction during the imaging process also is discussed.

Component mode synthesis and large deflection vibrations of complex structures. [beams and trusses

NASA Technical Reports Server (NTRS)

Mei, C.

1984-01-01

The accuracy of the NASTRAN modal synthesis analysis was assessed by comparing it with full structure NASTRAN and nine other modal synthesis results using a nine-bay truss. A NASTRAN component mode transient response analysis was also performed on the free-free truss structure. A finite element method was developed for nonlinear vibration of beam structures subjected to harmonic excitation. Longitudinal deformation and inertia are both included in the formula. Tables show the finite element free vibration results with and without considering the effects of longitudinal deformation and inertia as well as the frequency ratios for a simply supported and a clamped beam subjected to a uniform harmonic force.

Effect of rotation and magnetic field on free vibrations in a spherical non-homogeneous embedded in an elastic medium

NASA Astrophysics Data System (ADS)

Bayones, F. S.; Abd-Alla, A. M.

2018-06-01

The prime objective of the present paper is to analyze the effect of magnetic field and rotation on the free vibrations of an elastic hollow sphere. The one-dimensional equation of motion is solved in terms of radial displacement. The frequency equation is obtained when the boundaries are free and fixed boundary conditions. The determination is concerned with the eigenvalues of the natural frequency of the free vibrations in the case of harmonic vibrations. The natural frequencies and the mode shapes are calculated numericall and the effects of rotation and magnetic field are discussed. It was shown that the dispersion curves of waves were significantly influenced by the magnetic field and rotation of the elastic sphere.

Beating motion of a circular cylinder in vortex-induced vibrations

NASA Astrophysics Data System (ADS)

Shen, Linwei; Chan, Eng-Soon; Wei, Yan

2018-04-01

In this paper, beating phenomenon of a circular cylinder in vortex-induced vibration is studied by numerical simulations in a systematic manner. The cylinder mass coefficients of 2 and 10 are considered, and the Reynolds number is 150. Two distinctive frequencies, namely cylinder oscillation and vortex shedding frequencies, are obtained from the harmonic analysis of the cylinder displacement. The result is consistent with that observed in laboratory experiments. It is found that the cylinder oscillation frequency changes with the natural frequency of the cylinder while the reduced velocity is varied. The added-mass coefficient of the cylinder in beating motion is therefore estimated. Meanwhile, the vortex shedding frequency does not change dramatically in the beating situations. In fact, it is very close to 0.2. Accordingly, the lift force coefficient has two main components associated with these two frequencies. Besides, higher harmonics of the cylinder oscillation frequency appear in the spectrum of the lift coefficient. Moreover, the vortex shedding timing is studied in the beating motion by examining the instantaneous flow fields in the wake, and two scenarios of the vortex formation are observed.

On the effect of acoustic coupling on random and harmonic plate vibrations

NASA Technical Reports Server (NTRS)

Frendi, A.; Robinson, J. H.

1993-01-01

The effect of acoustic coupling on random and harmonic plate vibrations is studied using two numerical models. In the coupled model, the plate response is obtained by integration of the nonlinear plate equation coupled with the nonlinear Euler equations for the surrounding acoustic fluid. In the uncoupled model, the nonlinear plate equation with an equivalent linear viscous damping term is integrated to obtain the response of the plate subject to the same excitation field. For a low-level, narrow-band excitation, the two models predict the same plate response spectra. As the excitation level is increased, the response power spectrum predicted by the uncoupled model becomes broader and more shifted towards the high frequencies than that obtained by the coupled model. In addition, the difference in response between the coupled and uncoupled models at high frequencies becomes larger. When a high intensity harmonic excitation is used, causing a nonlinear plate response, both models predict the same frequency content of the response. However, the level of the harmonics and subharmonics are higher for the uncoupled model. Comparisons to earlier experimental and numerical results show that acoustic coupling has a significant effect on the plate response at high excitation levels. Its absence in previous models may explain the discrepancy between predicted and measured responses.

Experimental and theoretical studies on vibrational spectra of 4-(2-furanylmethyleneamino)antipyrine, 4-benzylideneaminoantipyrine and 4-cinnamilideneaminoantipyrine

NASA Astrophysics Data System (ADS)

Sun, Yu-Xi; Hao, Qing-Li; Yu, Zong-Xue; Jiang, Wen-Jun; Lu, Lu-De; Wang, Xin

2009-09-01

This work deals with the IR and Raman spectroscopy of 4-(2-furanylmethyleneamino) antipyrine (FAP), 4-benzylideneaminoantipyrine (BAP) and 4-cinnamilideneaminoantipyrine (CAP) by means of experimental and quantum chemical calculations. The equilibrium geometries, harmonic frequencies, infrared intensities and Raman scattering activities were calculated by density functional B3LYP method with the 6-31G(d) basis set. The comparisons between the calculated and experimental results covering molecular structures, assignments of fundamental vibrational modes and thermodynamic properties were investigated. The optimized molecular geometries have been compared with the experimental data obtained from XRD data, which indicates that the theoretical results agree well with the corresponding experimental values. For the three compounds, comparisons and assignments of the vibrational frequencies indicate that the calculated frequencies are close to the experimental data, and the IR spectra are comparable with some slight differences, whereas the Raman spectra are different clearly and the strongest Raman scattering actives are relative tightly to the molecular conjugative moieties linked through their Schiff base imines. The thermodynamic properties (heat capacities, entropies and enthalpy changes) and their correlations with temperatures were also obtained from the harmonic frequencies of the optimized strucutres.

Spectral composition of a measuring signal during measurements of vibration rates of a moving body

NASA Technical Reports Server (NTRS)

Daynauskas, I. A. I.; Slepov, N. N.

1973-01-01

Cybernetics diagnostics of machines and mechanisms using the spectral approach is discussed. The problem of establishing the accuracy of determination of the spectral composition is investigated. In systems with rectilinear or rotary movement, the vibrations appear in the form of movement rate vibrations, which are equivalent to frequency modulation of the signal, in proportion to the mean movement rate of the body. The case of a harmonic signal which reproduces and analyzes the characteristics of the frequency modulated signal is discussed. Mathematical models are developed to show the relationships of the parameters.

Rotor vibration caused by external excitation and rub

NASA Technical Reports Server (NTRS)

Matsushita, O.; Takagi, M.; Kikuchi, K.; Kaga, M.

1982-01-01

For turbomachinery with low natural frequencies, considerations have been recently required for rotor vibrations caused by external forces except unbalance one, such as foundation motion, seismic wave, rub and so forth. Such a forced vibration is investigated analytically and experimentally in the present paper. Vibrations in a rotor-bearing system under a harmonic excitation are analyzed by the modal technique in the case of a linear system including gyroscopic effect. For a nonlinear system a new and powerful quasi-modal technique is developed and applied to the vibration caused by rub.

Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation.

PubMed

Tanzi, Luana; Ramondo, Fabio; Guidoni, Leonardo

2012-10-18

Using microsolvation models and mixed quantum/classical ab initio molecular dynamics simulations, we investigate the vibrational properties of two azoles in water solution: pyrazole and oxazole. The effects of the water-azole hydrogen bonding are rationalized by an extensive comparison between structural parameters and harmonic frequencies obtained by microsolvation models. Following the effective normal-mode analysis introduced by Martinez et al. [Martinez et al., J. Chem. Phys. 2006, 125, 144106], we identify the vibrational frequencies of the solutes using the decomposition of the vibrational density of states of the gas phase and solution dynamics. The calculated shifts from gas phase to solution are fairly in agreement with the available experimental data.

Vibration and acoustic noise emitted by dry-type air-core reactors under PWM voltage excitation

NASA Astrophysics Data System (ADS)

Li, Jingsong; Wang, Shanming; Hong, Jianfeng; Yang, Zhanlu; Jiang, Shengqian; Xia, Shichong

2018-05-01

According to coupling way between the magnetic field and the structural order, structure mode is discussed by engaging finite element (FE) method and both natural frequency and modal shape for a dry-type air-core reactor (DAR) are obtained in this paper. On the basis of harmonic response analysis, electromagnetic force under PWM (Pulse Width Modulation) voltage excitation is mapped with the structure mesh, the vibration spectrum is gained and the consequences represents that the whole structure vibration predominates in the radial direction, with less axial vibration. Referring to the test standard of reactor noise, the rules of emitted noise of the DAR are measured and analyzed at chosen switching frequency matches the sample resonant frequency and the methods of active vibration and noise reduction are put forward. Finally, the low acoustic noise emission of a prototype DAR is verified by measurement.

Feed-forward control of gear mesh vibration using piezoelectric actuators

NASA Technical Reports Server (NTRS)

Montague, Gerald T.; Kascak, Albert F.; Palazzolo, Alan; Manchala, Daniel; Thomas, Erwin

1994-01-01

This paper presents a novel means for suppressing gear mesh-related vibrations. The key components in this approach are piezoelectric actuators and a high-frequency, analog feed-forward controller. Test results are presented and show up to a 70-percent reduction in gear mesh acceleration and vibration control up to 4500 Hz. The principle of the approach is explained by an analysis of a harmonically excited, general linear vibratory system.

Detecting Wear In Ball Bearings During Operation

NASA Technical Reports Server (NTRS)

Hine, Michael J.

1988-01-01

Strain-gauge signals at harmonics of ball-bearing-cage frequencies signify wear. Brief report describes experiments in continuing effort to interpret vibrations of machinery in terms of wear in ball bearing.

Experimental and computational study on molecular structure and vibrational analysis of an antihyperglycemic biomolecule: Gliclazide

NASA Astrophysics Data System (ADS)

Karakaya, Mustafa; Kürekçi, Mehmet; Eskiyurt, Buse; Sert, Yusuf; Çırak, Çağrı

2015-01-01

In present study, the experimental and theoretical harmonic vibrational frequencies of gliclazide molecule have been investigated. The experimental FT-IR (400-4000 cm-1) and Laser-Raman spectra (100-4000 cm-1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid function) methods with 6-311++G(d,p) and 6-31G(d,p) basis sets by Gaussian 09W program. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been found.

Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations.

PubMed

Sert, Yusuf; Çırak, Çağrı; Ucun, Fatih

2013-04-15

In the present study, the experimental and theoretical harmonic and anharmonic vibrational frequencies of 4-chloro-3-nitrobenzonitrile were investigated. The experimental FT-IR (400-4000 cm(-1)) and μ-Raman spectra (100-4000 cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) were calculated using ab initio Hartree Fock (HF), density functional B3LYP and M06-2X methods with 6-311++G(d,p) basis set by Gaussian 09 W program, for the first time. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. The theoretical optimized geometric parameters and vibrational frequencies were compared with the corresponding experimental data, and they were seen to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies were found. Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental and computational study on molecular structure and vibrational analysis of an antihyperglycemic biomolecule: gliclazide.

PubMed

Karakaya, Mustafa; Kürekçi, Mehmet; Eskiyurt, Buse; Sert, Yusuf; Çırak, Çağrı

2015-01-25

In present study, the experimental and theoretical harmonic vibrational frequencies of gliclazide molecule have been investigated. The experimental FT-IR (400-4000 cm(-1)) and Laser-Raman spectra (100-4000 cm(-1)) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid function) methods with 6-311++G(d,p) and 6-31G(d,p) basis sets by Gaussian 09W program. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Also, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been found. Copyright © 2014 Elsevier B.V. All rights reserved.

Rhythmic crowd bobbing on a grandstand simulator

NASA Astrophysics Data System (ADS)

Comer, A. J.; Blakeborough, A.; Williams, M. S.

2013-01-01

It is widely accepted that concerted human activity such as bouncing or bobbing can excite cantilever grandstands. Crowd coordination can be unwitting and may be exacerbated by structural motion caused by resonant structural response. This is an area of uncertainty in the design and analysis of modern grandstands. This paper presents experimental measurement and analysis of rhythmic crowd bobbing loads obtained from tests on a grandstand simulator with two distinct support conditions; (a) rigid, and; (b) flexible. It was found that significant structural vibration at the bobbing frequency did not increase the effective bobbing load. Structural motion at the bobbing frequency caused a reduction in the dynamic load factor (DLF) at the frequency of the second harmonic while those at the first and third harmonics were unaffected. Two plausible reasons for this are: (a) the bobbing group were unable to supply significant energy to the system at the frequency of the second harmonic; (b) the bobbing group altered their bobbing style to reduce the response of the grandstand simulator. It was deduced that the bobbing group did not absorb energy from the dynamic system. Furthermore, dynamic load factors for groups of test subjects bobbing on a rigid structure were typically greater than those of synthesised groups derived from individuals bobbing alone, possibly due to group effects such as audio and visual stimuli from neighbouring test subjects. Last, the vibration levels experienced by the test subjects appear to be below levels likely to cause discomfort. This is to be expected as the test subjects were themselves controlling the magnitude and duration of vibration for the bobbing tests considered.

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).

Effect of tactile vibration on annoyance to synthesized propfan noise

NASA Technical Reports Server (NTRS)

Clevenson, S. A.

1981-01-01

Design information that maximizes passenger comfort for propfan aircraft is presented. Predicted noise and vibration environments and the resultant passenger acceptability were studied. The effect of high frequency tactile vibration (i.e., greater than 30 Hz) on passenger reactions was analyzed. Passenger reactions to a wide range of noise with and without tactile vibration was studied. The passenger ride quality simulator was employed using subjects who evaluated either synthesized propeller noises only, or these noises combined with seat/arm vibration. The noises ranging from 80-100 dB consisted of a turbulent boundary layer noise with a factorial combination of five blade passage frequencies (50-200 Hz), two harmonic rolloffs, and three tone/noise ratios. It is indicated that passenger reaction (annoyance) to noise is not significantly changed in the presence of tactile vibration.

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.

Investigation of a vibration-damping unit for reduction in low-frequency vibrations of electric motors

NASA Technical Reports Server (NTRS)

Grigoryey, N. V.; Fedorovich, M. A.

1973-01-01

The vibroacoustical characteristics of different types of electric motors are discussed. It is shown that the basic source of low frequency vibrations is rotor unbalance. A flexible damping support, with an antivibrator, is used to obtain the vibroacoustical effect of reduction in the basic harmonic of the electric motor. A model of the electric motor and the damping apparatus is presented. Mathematical models are developed to show the relationships of the parameters. The basic purpose in using a calculation model id the simultaneous replacement of the exciting force created by the rotor unbalance and its inertial rigidity characteristics by a limiting kinematic disturbance.

Low-temperature protein dynamics: a simulation analysis of interprotein vibrations and the boson peak at 150 k.

PubMed

Kurkal-Siebert, Vandana; Smith, Jeremy C

2006-02-22

An understanding of low-frequency, collective protein dynamics at low temperatures can furnish valuable information on functional protein energy landscapes, on the origins of the protein glass transition and on protein-protein interactions. Here, molecular dynamics (MD) simulations and normal-mode analyses are performed on various models of crystalline myoglobin in order to characterize intra- and interprotein vibrations at 150 K. Principal component analysis of the MD trajectories indicates that the Boson peak, a broad peak in the dynamic structure factor centered at about approximately 2-2.5 meV, originates from approximately 10(2) collective, harmonic vibrations. An accurate description of the environment is found to be essential in reproducing the experimental Boson peak form and position. At lower energies other strong peaks are found in the calculated dynamic structure factor. Characterization of these peaks shows that they arise from harmonic vibrations of proteins relative to each other. These vibrations are likely to furnish valuable information on the physical nature of protein-protein interactions.

Novel design of microgyroscopes employing electrostatic actuation and resistance-change based sensing

NASA Astrophysics Data System (ADS)

Ghommem, M.; Abdelkefi, A.

2017-12-01

The nonlinear dynamics of a microgyroscope consisting of a vibrating beam with attached proof mass and operating at high frequency is numerically investigated. The working principle of this inertial sensor is based on exploiting the transfer of the mechanical energy among two vibrations modes via the Coriolis effect to measure the rotation rate. The flexural motion (drive mode) is generated by applying a DC electrostatic load and an AC harmonic load. We propose a novel sensing technique based on resistance change to detect the induced vibrations of the microbeam (sense mode) and extract the rotation rate. The sensing technique is based on transmitting the Coriolis force acting on the proof mass to a probe that affects the resistance of an electrical circuit acting as a variable voltage divider. This is achieved by integrating the probe dipping μpool (PDP) technology deploying a probe electrode that is dipped into a μpool filled with a conductive nonvolatile fluid. Large magnitude of the AC harmonic load is observed to give rise to dynamic pull-in bandwidth in the frequency response characterized by large and uncontrollable vibrations of the microbeam. Operating near the primary frequency while selecting moderate AC voltage results in linear calibration curves while maintaining high sensitivity of the output voltage to the change in the rotation speed. The simulation results demonstrate the feasibility of the novel technique for sensing the induced vibrations to deliver measurements of the angular speed.

Vibration characteristics of OH-58A helicopter main rotor transmission

NASA Technical Reports Server (NTRS)

Lewicki, David G.; Coy, John J.

1987-01-01

Experimental vibration tests covering a range of torque and speed conditions were performed on the OH-58A helicopter main rotor transmission at the NASA Lewis Research Center. Signals from accelerometers located on the transmission housing were analyzed by using Fourier spectra, power spectral density functions, and averaging techniques. Most peaks of the Fourier spectra occurred at the spiral bevel and planetary gear mesh harmonics. The highest level of vibration occurred at the spiral bevel meshing frequency. Transmission speed and vibration measurement location had a significant effect on measured vibration; transmission torque and measurement direction had a small effect.

Localized, Non-Harmonic Active Flap Motions for Low Frequency In-Plane Rotor Noise Reduction

NASA Technical Reports Server (NTRS)

Sim, Ben W.; Potsdam, Mark; Kitaplioglu, Cahit; LeMasurier, Philip; Lorber, Peter; Andrews, Joseph

2012-01-01

A first-of-its-kind demonstration of the use of localized, non-harmonic active flap motions, for suppressing low frequency, in-plane rotor noise, is reported in this paper. Operational feasibility is verified via testing of the full-scale AATD/Sikorsky/UTRC active flap demonstration rotor in the NFAC's 40- by 80-Foot anechoic wind tunnel. Effectiveness of using localized, non-harmonic active flap motions are compared to conventional four-per-rev harmonic flap motions, and also active flap motions derived from closed-loop acoustics implementations. All three approaches resulted in approximately the same noise reductions over an in-plane three-by-three microphone array installed forward and near in-plane of the rotor in the nearfield. It is also reported that using an active flap in this localized, non-harmonic manner, resulted in no more that 2% rotor performance penalty, but had the tendency to incur higher hub vibration levels.

Experimental investigation of jet pulse control on flexible vibrating structures

NASA Astrophysics Data System (ADS)

Karaiskos, Grigorios; Papanicolaou, Panos; Zacharopoulos, Dimitrios

2016-08-01

The feasibility of applying on-line fluid jet pulses to actively control the vibrations of flexible structures subjected to harmonic and earthquake-like base excitations provided by a shake table is explored. The operating principles and capabilities of the control system applied have been investigated in a simplified small-scale laboratory model that is a mass attached at the top free end of a vertical flexible slender beam with rectangular cross-section, the other end of which is mounted on an electrodynamic shaker. A pair of opposite jets placed on the mass at the top of the cantilever beam applied the appropriate forces by ejecting pressurized air pulses controlled by on/off solenoid electro-valves via in house developed control software, in order to control the vibration caused by harmonic, periodic and random excitations at pre-selected frequency content provided by the shaker. The dynamics of the structure was monitored by accelerometers and the jet impulses by pressure sensors. The experimental results have demonstrated the effectiveness and reliability of Jet Pulse Control Systems (JPCS). It was verified that the measured root mean square (RMS) vibration levels of the controlled structure from harmonic and earthquake base excitations, could be reduced by approximately 50% and 33% respectively.

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.

Degree of dispersion monitoring by ultrasonic transmission technique and excitation of the transducer's harmonics

NASA Astrophysics Data System (ADS)

Schober, G.; Heidemeyer, P.; Kretschmer, K.; Bastian, M.; Hochrein, T.

2014-05-01

The degree of dispersion of filled polymer compounds is an important quality parameter for various applications. For instance, there is an influence on the chroma in pigment colored plastics or on the mechanical properties of filled or reinforced compounds. Most of the commonly used offline methods are work-intensive and time-consuming. Moreover, they do not allow an all-over process monitoring. In contrast, the ultrasonic technique represents a suitable robust and process-capable inline method. Here, we present inline ultrasonic measurements on polymer melts with a fundamental frequency of 1 MHz during compounding. In order to extend the frequency range we additionally excite the fundamental and the odd harmonics vibrations at 3 and 5 MHz. The measurements were carried out on a compound consisting of polypropylene and calcium carbonate. For the simulation of agglomerates calcium carbonate with a larger particle size was added with various rates. The total filler content was kept constant. The frequency selective analysis shows a linear correlation between the normalized extinction and the rate of agglomerates simulated by the coarser filler. Further experiments with different types of glass beads with a well-defined particle size verify these results. A clear correlation between the normalized extinction and the glass bead size as well as a higher damping with increasing frequency corresponds to the theoretical assumption. In summary the dispersion quality can be monitored inline by the ultrasonic technique. The excitation of the ultrasonic transducer's harmonics generates more information about the material as the usage of the pure harmonic vibration.

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.

Electronic spectroscopy of UO(2)Cl(2) isolated in solid Ar.

PubMed

Jin, Jin; Gondalia, Raj; Heaven, Michael C

2009-11-12

Laser-induced fluorescence spectra have been recorded for uranyl chloride isolated in a solid Ar matrix. Pulsed excitation was examined using a XeCl excimer laser (308 nm) and a dye laser operating in the 19500-27500 cm-1 range. Several absorption and emission band systems were observed. The emission spectra were characterized by a nearly harmonic vibrational progression with a frequency of 840 cm-1 starting at 20323 cm-1. The electronic absorption spectra were dominated by five harmonic vibrational progressions with frequencies of approximately 710 cm-1. Comparisons with theoretical calculations indicate that all of the transitions observed were associated with the UO2+2 subunit. They involved the promotion of an electron from a bonding orbital to the metal-centered 5f(delta) and 5f(phi) orbitals. Band origins and vibrational constants for five excited states were obtained. Fluorescence was observed from the lowest-energy excited state alone, regardless of the excitation wavelength. The decay curve was found to be biexponential, with characteristic decay lifetimes of 50 and 260 micros.

An unscaled quantum mechanical harmonic force field for p-benzoquinone

NASA Astrophysics Data System (ADS)

Nonella, Marco; Tavan, Paul

1995-10-01

Structure and harmonic vibrational frequencies of p-benzoquinone have been calculated using quantum chemical ab initio and density functional methods. Our calculations show that a satisfactory description of fundamentals and normal mode compositions is achieved upon consideration of correlation effects by means of Møller-Plesset perturbation expansion (MP2) or by density functional theory (DFT). Furthermore, for correct prediction of CO bondlength and force constant, basis sets augmented by polarization functions are required. Applying such basis sets, MP2 and DFT calculations both give results which are generally in reasonable agreement with experimental data. The quantitatively better agreement, however, is achieved with the computationally less demanding DFT method. This method particularly allows very precise prediction of the experimentally important absorptions in the frequency region between 1500 and 1800 cm -1 and of the isotopic shifts of these vibrations due to 13C or 18O substitution.

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

PubMed

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

2007-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2007-01-01

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

Charging power optimization for nonlinear vibration energy harvesting systems subjected to arbitrary, persistent base excitations

NASA Astrophysics Data System (ADS)

Dai, Quanqi; Harne, Ryan L.

2018-01-01

The vibrations of mechanical systems and structures are often a combination of periodic and random motions. Emerging interest to exploit nonlinearities in vibration energy harvesting systems for charging microelectronics may be challenged by such reality due to the potential to transition between favorable and unfavorable dynamic regimes for DC power delivery. Therefore, a need exists to devise an optimization method whereby charging power from nonlinear energy harvesters remains maximized when excitation conditions are neither purely harmonic nor purely random, which have been the attention of past research. This study meets the need by building from an analytical approach that characterizes the dynamic response of nonlinear energy harvesting platforms subjected to combined harmonic and stochastic base accelerations. Here, analytical expressions are formulated and validated to optimize charging power while the influences of the relative proportions of excitation types are concurrently assessed. It is found that about a 2 times deviation in optimal resistive loads can reduce the charging power by 20% when the system is more prominently driven by harmonic base accelerations, whereas a greater proportion of stochastic excitation results in a 11% reduction in power for the same resistance deviation. In addition, the results reveal that when the frequency of a predominantly harmonic excitation deviates by 50% from optimal conditions the charging power reduces by 70%, whereas the same frequency deviation for a more stochastically dominated excitation reduce total DC power by only 20%. These results underscore the need for maximizing direct current power delivery for nonlinear energy harvesting systems in practical operating environments.

A Novel Method to Reconstruct the Force Curve by Higher Harmonics of the First Two Flexural Modes in Frequency Modulation Atomic Force Microscope (FM-AFM).

PubMed

Zhang, Suoxin; Qian, Jianqiang; Li, Yingzi; Zhang, Yingxu; Wang, Zhenyu

2018-06-04

Atomic force microscope (AFM) is an idealized tool to measure the physical and chemical properties of the sample surfaces by reconstructing the force curve, which is of great significance to materials science, biology, and medicine science. Frequency modulation atomic force microscope (FM-AFM) collects the frequency shift as feedback thus having high force sensitivity and it accomplishes a true noncontact mode, which means great potential in biological sample detection field. However, it is a challenge to establish the relationship between the cantilever properties observed in practice and the tip-sample interaction theoretically. Moreover, there is no existing method to reconstruct the force curve in FM-AFM combining the higher harmonics and the higher flexural modes. This paper proposes a novel method that a full force curve can be reconstructed by any order higher harmonics of the first two flexural modes under any vibration amplitude in FM-AFM. Moreover, in the small amplitude regime, short range forces are reconstructed more accurately by higher harmonics analysis compared with fundamental harmonics using the Sader-Jarvis formula.

The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method

NASA Astrophysics Data System (ADS)

Karabacak, M.; Kurt, M.; Cinar, M.; Ayyappan, S.; Sudha, S.; Sundaraganesan, N.

In this work, experimental and theoretical study on the molecular structure and the vibrational spectra of 3-aminobenzophenone (3-ABP) is presented. The vibrational frequencies of the title compound were obtained theoretically by DFT/B3LYP calculations employing the standard 6-311++G(d,p) basis set for optimized geometry and were compared with Fourier transform infrared spectrum (FTIR) in the region of 400-4000 cm-1 and with Fourier Transform Raman spectrum in the region of 50-4000 cm-1. Complete vibrational assignments, analysis and correlation of the fundamental modes for the title compound were carried out. The vibrational harmonic frequencies were scaled using scale factor, yielding a good agreement between the experimentally recorded and the theoretically calculated values.

Active Control of the Forced and Transient Response of a Finite Beam. M.S. Thesis

NASA Technical Reports Server (NTRS)

Post, John Theodore

1989-01-01

When studying structural vibrations resulting from a concentrated source, many structures may be modelled as a finite beam excited by a point source. The theoretical limit on cancelling the resulting beam vibrations by utilizing another point source as an active controller is explored. Three different types of excitation are considered, harmonic, random, and transient. In each case, a cost function is defined and minimized for numerous parameter variations. For the case of harmonic excitation, the cost function is obtained by integrating the mean squared displacement over a region of the beam in which control is desired. A controller is then found to minimize this cost function in the control interval. The control interval and controller location are continuously varied for several frequencies of excitation. The results show that control over the entire beam length is possible only when the excitation frequency is near a resonant frequency of the beam, but control over a subregion may be obtained even between resonant frequencies at the cost of increasing the vibration outside of the control region. For random excitation, the cost function is realized by integrating the expected value of the displacement squared over the interval of the beam in which control is desired. This is shown to yield the identical cost function as obtained by integrating the cost function for harmonic excitation over all excitation frequencies. As a result, it is always possible to reduce the cost function for random excitation whether controlling the entire beam or just a subregion, without ever increasing the vibration outside the region in which control is desired. The last type of excitation considered is a single, transient pulse. A cost function representative of the beam vibration is obtained by integrating the transient displacement squared over a region of the beam and over all time. The form of the controller is chosen a priori as either one or two delayed pulses. Delays constrain the controller to be causal. The best possible control is then examined while varying the region of control and the controller location. It is found that control is always possible using either one or two control pulses. The two pulse controller gives better performance than a single pulse controller, but finding the optimal delay time for the additional controllers increases as the square of the number of control pulses.

Modelling the nonlinear behaviour of double walled carbon nanotube based resonator with curvature factors

NASA Astrophysics Data System (ADS)

Patel, Ajay M.; Joshi, Anand Y.

2016-10-01

This paper deals with the nonlinear vibration analysis of a double walled carbon nanotube based mass sensor with curvature factor or waviness, which is doubly clamped at a source and a drain. Nonlinear vibrational behaviour of a double-walled carbon nanotube excited harmonically near its primary resonance is considered. The double walled carbon nanotube is harmonically excited by the addition of an excitation force. The modelling involves stretching of the mid plane and damping as per phenomenon. The equation of motion involves four nonlinear terms for inner and outer tubes of DWCNT due to the curved geometry and the stretching of the central plane due to the boundary conditions. The vibrational behaviour of the double walled carbon nanotube with different surface deviations along its axis is analyzed in the context of the time response, Poincaré maps and Fast Fourier Transformation diagrams. The appearance of instability and chaos in the dynamic response is observed as the curvature factor on double walled carbon nanotube is changed. The phenomenon of Periodic doubling and intermittency are observed as the pathway to chaos. The regions of periodic, sub-harmonic and chaotic behaviour are clearly seen to be dependent on added mass and the curvature factors in the double walled carbon nanotube. Poincaré maps and frequency spectra are used to explicate and to demonstrate the miscellany of the system behaviour. With the increase in the curvature factor system excitations increases and results in an increase of the vibration amplitude with reduction in excitation frequency.

Vibration characterization and control of miniature Stirling-cycle cryocoolers for space application

NASA Technical Reports Server (NTRS)

Ross, R. G., Jr.; Johnson, D. L.; Kotsubo, V.

1991-01-01

This paper provides a summary overview of the vibration characteristics of split Stirling cryocoolers of the Oxford type and describes means being developed to achieve vibration levels consistent with the exacting requirements of sensitive infrared spectrometer instruments currently under development for NASA applications. A key emphasis of the paper is on exploring both active and passive means of reducing the residual upper harmonics of the drive frequency that remain with nulled back-to-back compressor and displacer units. Vibration supression results, measured with JPL's unique six-DOF force dynamometer, are presented for an 80 K Stirling cooler.

Anharmonic vibrational spectra and mode-mode couplings analysis of 2-aminopyridine

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Bhat, Sheeraz Ahmad; Ahmad, Shabbir

2018-01-01

Vibrational spectra of 2-aminopyridine (2AP) have been analyzed using the vibrational self-consistence field theory (VSCF), correlated corrected vibrational self-consistence field theory (CC-VSCF) and vibrational perturbation theory (VPT2) at B3LYP/6-311G(d,p) framework. The mode-mode couplings affect the vibrational frequencies and intensities. The coupling integrals between pairs of normal modes have been obtained on the basis of quartic force field (2MR-QFF) approximation. The overtone and combination bands are also assigned in the FTIR spectrum with the help of anharmonic calculation at VPT2 method. A statistical analysis of deviations shows that estimated anharmonic frequencies are closer to the experiment over harmonic approximation. Furthermore, the anharmonic correction has also been carried out for the dimeric structure of 2AP. The fundamental vibration bands have been assigned on the basis of potential energy distribution (PED) and visual look over the animated modes. Other important molecular properties such as frontier molecular orbitals and molecular electrostatics potential mapping have also been analyzed.

Vibration-based structural health monitoring of the aircraft large component

NASA Astrophysics Data System (ADS)

Pavelko, V.; Kuznetsov, S.; Nevsky, A.; Marinbah, M.

2017-10-01

In the presented paper there are investigated the basic problems of the local system of SHM of large scale aircraft component. Vibration-based damage detection is accepted as a basic condition, and main attention focused to a low-cost solution that would be attractive for practice. The conditions of small damage detection in the full scale structural component at low-frequency excitation were defined in analytical study and modal FEA. In experimental study the dynamic test of the helicopter Mi-8 tail beam was performed at harmonic excitation with frequency close to first natural frequency of the beam. The index of correlation coefficient deviation (CCD) was used for extraction of the features due to embedded pseudo-damage. It is shown that the problem of vibration-based detection of a small damage in the large scale structure at low-frequency excitation can be solved successfully.

Molecular structure, vibrational spectra and DFT molecular orbital calculations (TD-DFT and NMR) of the antiproliferative drug Methotrexate

NASA Astrophysics Data System (ADS)

Ayyappan, S.; Sundaraganesan, N.; Aroulmoji, V.; Murano, E.; Sebastian, S.

2010-09-01

The FT-IR and FT-Raman spectral studies of the Methotrexate (MTX) were carried out. The equilibrium geometry, various bonding features and harmonic vibrational frequencies of MTX have been investigated with the help of B3LYP density functional theory (DFT) using 6-31G(d) as basis set. Detailed analysis of the vibrational spectra has been made with the aid of theoretically predicted vibrational frequencies. The vibrational analysis confirms the differently acting ring modes, steric repulsion, conjugation and back-donation. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) results complement with the experimental findings. The calculated HOMO and LUMO energies show that charge transfer occur within the molecule. Good correlations between the experimental 1H and 13C NMR chemical shifts in DMSO solution and calculated GIAO shielding tensors were found.

Displacement and frequency analyses of vibratory systems

NASA Astrophysics Data System (ADS)

Low, K. H.

1995-02-01

This paper deals with the frequency and response studies of vibratory systems, which are represented by a set of n coupled second-order differential equations. The following numerical methods are used in the response analysis: central difference, fourth-order Runge-Kutta and modal methods. Data generated in the response analysis are processed to obtain the system frequencies by using the fast Fourier transform (FFT) or harmonic response methods. Two types of the windows are used in the FFT analysis: rectangular and Hanning windows. Examples of two, four and seven degrees of freedom systems are considered, to illustrate the proposed algorithms. Comparisons with those existing results confirm the validity of the proposed methods. The Hanning window attenuates the results that give a narrower bandwidth around the peak if compared with those using the rectangular window. It is also found that in free vibrations of a multi-mass system, the masses will vibrate in a manner that is the superposition of the natural frequencies of the system, while the system will vibrate at the driving frequency in forced vibrations.

Vibration and loads in hingeless rotors. Volume 1: Theoretical analyses

NASA Technical Reports Server (NTRS)

Watts, G. A.; London, R. J.

1972-01-01

Analytic methods are developed for calculating blade loads and shaft-transmitted vibratory forces in stiff bladed hingeless rotors operating at advance ratios from mu = .3 to mu = 2.0. Calculated shaft harmonic moments compared well with experimental values when the blade first flap frequency was in the region of two-per-revolution harmonic excitation. Calculated blade bending moment azimuthal distributions due to changes in cyclic pitch agreed well with experiment at radial stations near the blade root at values of the ratio of first flap frequency to rotor rotation rate from 1.5 to 5.0. At stations near the blade tip good agreement was only obtained at the higher values of frequency ratio.

Comparison of sEMG processing methods during whole-body vibration exercise.

PubMed

Lienhard, Karin; Cabasson, Aline; Meste, Olivier; Colson, Serge S

2015-12-01

The objective was to investigate the influence of surface electromyography (sEMG) processing methods on the quantification of muscle activity during whole-body vibration (WBV) exercises. sEMG activity was recorded while the participants performed squats on the platform with and without WBV. The spikes observed in the sEMG spectrum at the vibration frequency and its harmonics were deleted using state-of-the-art methods, i.e. (1) a band-stop filter, (2) a band-pass filter, and (3) spectral linear interpolation. The same filtering methods were applied on the sEMG during the no-vibration trial. The linear interpolation method showed the highest intraclass correlation coefficients (no vibration: 0.999, WBV: 0.757-0.979) with the comparison measure (unfiltered sEMG during the no-vibration trial), followed by the band-stop filter (no vibration: 0.929-0.975, WBV: 0.661-0.938). While both methods introduced a systematic bias (P < 0.001), the error increased with increasing mean values to a higher degree for the band-stop filter. After adjusting the sEMG(RMS) during WBV for the bias, the performance of the interpolation method and the band-stop filter was comparable. The band-pass filter was in poor agreement with the other methods (ICC: 0.207-0.697), unless the sEMG(RMS) was corrected for the bias (ICC ⩾ 0.931, %LOA ⩽ 32.3). In conclusion, spectral linear interpolation or a band-stop filter centered at the vibration frequency and its multiple harmonics should be applied to delete the artifacts in the sEMG signals during WBV. With the use of a band-stop filter it is recommended to correct the sEMG(RMS) for the bias as this procedure improved its performance. Copyright © 2015 Elsevier Ltd. All rights reserved.

Design optimization of a viscoelastic dynamic vibration absorber using a modified fixed-points theory.

PubMed

Wong, W O; Fan, R P; Cheng, F

2018-02-01

A viscoelastic dynamic vibration absorber (VDVA) is proposed for suppressing infrasonic vibrations of heavy structures because the traditional dynamic vibration absorber equipped with a viscous damper is not effective in suppressing low frequency vibrations. The proposed VDVA has an elastic spring and a viscoelastic damper with frequency dependent modulus and damping properties. The standard fixed-points theory cannot be applied to derive the optimum design parameters of the VDVA because both its stiffness and damping are frequency dependent. A modified fixed-points theory is therefore proposed to solve this problem. H ∞ design optimization of the proposed VDVA have been derived for the minimization of resonant vibration amplitude of a single degree-of-freedom system excited by harmonic forces or due to ground motions. The stiffness and damping of the proposed VDVA can be decoupled such that both of these two properties of the absorber can be tuned independently to their optimal values by following a specified procedure. The proposed VDVA with optimized design is tested numerically using two real commercial viscoelastic damping materials. It is found that the proposed viscoelastic absorber can provide much stronger vibration reduction effect than the conventional VDVA without the elastic spring.

Design of vibration sensor based on fiber Bragg grating

NASA Astrophysics Data System (ADS)

Zhang, Zhengyi; Liu, Chuntong

2017-12-01

Fiber grating is a kind of new type of fiber optic light source device which has been rapidly changing in the refractive index of the core in recent years. Especially, it can realize the high precision of the external parameters by means of the special structure design and the encapsulation technology [1, 2]. In this paper, a fiber grating vibration sensor which is suitable for vibration monitoring in key areas is designed based on the technical background of vibration monitoring system. The sensor uses a single beam structure and pastes the fiber Bragg grating (FBG) to measure the vibration wavelength on the surface. When the vibration is simply harmonic vibration, the Bragg reflection wavelength will change periodically, and the periodic variation of the wavelength curve can be measured by the fiber grating demodulator, then the correctness of the experimental results is verified. In this paper, through the analysis of the data measured by the demodulator, the MATLAB software is used to verify the data, and the different frequency domains, the modes, and the phase frequency curves are obtained. The measurement range is 0 Hz-100 Hz, and the natural frequency is 90.6 Hz.

Vibrational spectroscopic studies and DFT calculations of 4-aminoantipyrine

NASA Astrophysics Data System (ADS)

Swaminathan, J.; Ramalingam, M.; Sethuraman, V.; Sundaraganesan, N.; Sebastian, S.

2009-08-01

The pyrazole derivative, 4-aminoantipyrine (4AAP), used as an intermediate for the synthesis of pharmaceuticals especially antipyretic and analgesic drugs has been analyzed experimentally and theoretically for its vibrational frequencies. The FTIR and FT Raman spectra of the title compound have been compared with the theoretically computed frequencies invoking the standard 6-311g(d,p) and cc-pVDZ basis sets at DFT level of theory (B3LYP). The harmonic vibrational frequencies at B3LYP/cc-pVDZ after appropriate scaling method seem to coincide satisfactorily with the experimental observations rather than B3LYP/6-311g(d,p) results. The theoretical spectrograms for FT-IR and FT-Raman spectra of 4AAP have been also constructed and compared with the experimental spectra. Additionally, thermodynamic data have also been calculated and discussed.

Vibrational spectroscopic study of fluticasone propionate

NASA Astrophysics Data System (ADS)

Ali, H. R. H.; Edwards, H. G. M.; Kendrick, J.; Scowen, I. J.

2009-03-01

Fluticasone propionate is a synthetic glucocorticoid with potent anti-inflammatory activity that has been used effectively in the treatment of chronic asthma. The present work reports a vibrational spectroscopic study of fluticasone propionate and gives proposed molecular assignments on the basis of ab initio calculations using BLYP density functional theory with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation. Several spectral features and band intensities are explained. This study generated a library of information that can be employed to aid the process monitoring of fluticasone propionate.

Observations of volcanic tremor during January-February 2005 eruption of Mt. Veniaminof, Alaska

USGS Publications Warehouse

De Angelis, Slivio; McNutt, Stephen R.

2007-01-01

Mt. Veniaminof, Alaska Peninsula, is a stratovolcano with a summit ice-filled caldera containing a small intracaldera cone and active vent. From January 2 to February 21, 2005, Mt. Veniaminof erupted. The eruption was characterized by numerous small ash emissions (VEI 0 to 1) and accompanied by low-frequency earthquake activity and volcanic tremor. We have performed spectral analyses of the seismic signals in order to characterize them and to constrain their source. Continuous tremor has durations of minutes to hours with dominant energy in the band 0.5– 4.0 Hz, and spectra characterized by narrow peaks either irregularly (non-harmonic tremor) or regularly spaced (harmonic tremor). The spectra of non-harmonic tremor resemble those of low-frequency events recorded simultaneously with surface ash explosions, suggesting that the source mechanisms might be similar or related. We propose that non-harmonic tremor at Mt. Veniaminof results from the coalescence of gas bubbles while low-frequency events are related to the disruption of large gas pockets within the conduit. Harmonic tremor, characterized by regular and quasisinusoidal waveforms, has duration of hours. Spectra containing up to five harmonics suggest the presence of a resonating source volume that vibrates in a longitudinal acoustic mode. An interesting feature of harmonic tremor is that frequency is observed to change over time; spectral lines move towards higher or lower values while the harmonic nature of the spectra is maintained. Factors controlling the variable characteristics of harmonic tremor include changes in acoustic velocity at the source and variations of the effective size of the resonator.

Twin rotor damper for the damping of stochastically forced vibrations using a power-efficient control algorithm

NASA Astrophysics Data System (ADS)

Bäumer, Richard; Terrill, Richard; Wollnack, Simon; Werner, Herbert; Starossek, Uwe

2018-01-01

The twin rotor damper (TRD), an active mass damper, uses the centrifugal forces of two eccentrically rotating control masses. In the continuous rotation mode, the preferred mode of operation, the two eccentric control masses rotate with a constant angular velocity about two parallel axes, creating, under further operational constraints, a harmonic control force in a single direction. In previous theoretical work, it was shown that this mode of operation is effective for the damping of large, harmonic vibrations of a single degree of freedom (SDOF) oscillator. In this paper, the SDOF oscillator is assumed to be affected by a stochastic excitation force and consequently responds with several frequencies. Therefore, the TRD must deviate from the continuous rotation mode to ensure the anti-phasing between the harmonic control force of the TRD and the velocity of the SDOF oscillator. It is found that the required deviation from the continuous rotation mode increases with lower vibration amplitude. Therefore, an operation of the TRD in the continuous rotation mode is no longer efficient below a specific vibration-amplitude threshold. To additionally dampen vibrations below this threshold, the TRD can switch to another, more energy-consuming mode of operation, the swinging mode in which both control masses oscillate about certain angular positions. A power-efficient control algorithm is presented which uses the continuous rotation mode for large vibrations and the swinging mode for small vibrations. To validate the control algorithm, numerical and experimental investigations are performed for a single degree of freedom oscillator under stochastic excitation. Using both modes of operation, it is shown that the control algorithm is effective for the cases of free and stochastically forced vibrations of arbitrary amplitude.

Forced Vibration Analysis of a Multidegree Impact Vibrator

NASA Astrophysics Data System (ADS)

Pun, D.; Lau, S. L.; Law, S. S.; Cao, D. Q.

1998-06-01

The dynamics of a multidegree impact vibrator subject to harmonic loading is investigated. The system is represented by a lumped mass model which hits and rebounds from a rigid wall during vibration. The periodic solution to the equations of motion withNforcing cycles andPimpacts is formulated. The variational equations and the resulting transition matrix for investigating local stability of the periodic solutions are derived. A two-degree-of-freedom example is analysed, and a variety of motion types are found. Chaotic windows are present between regions of periodic response, and at these boundariesN-Pmotions are prevalent. Low velocity impacts are evident at exciting frequencies away from the natural frequencies. Two basins of attraction are computed, and the sensitivity to initial conditions is noted. The quality of theN-Pmotion is discussed from an engineering application perspective.

Raman spectroscopic and theoretical study of liquid and solid water within the spectral region 1600-2300 cm-1

NASA Astrophysics Data System (ADS)

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

2018-05-01

Raman spectra of liquid water and ice were measured at different temperatures. The intensity of the band assigned to bending vibrations of water molecules was observed to decrease at the liquid-to-solid transition, while the Raman line near 2200 cm-1 showed an anomalously high intensity in the solid phase. A tetrahedral model was used for computer analysis of the observed spectral changes. Quantum-chemical calculations of the structure, normal vibrations and Raman spectra in the harmonic approximation, as well as frequencies and intensities of some vibrations using 1D and 2D potential energy surfaces, were carried out using B3LYP with the cc-pVTZ basis set. The influence of the number of hydrogen bonds on the frequency and Raman activity of the bending vibrations was analyzed. The possibility of hydrogen bond weakening upon excitation of the combined bending-rocking vibration due to the large amplitude of this vibration is considered.

Two-dimensional multi-frequency imaging of a tumor inclusion in a homogeneous breast phantom using the harmonic motion Doppler imaging method.

PubMed

Tafreshi, Azadeh Kamali; Top, Can Barış; Gençer, Nevzat Güneri

2017-06-21

Harmonic motion microwave Doppler imaging (HMMDI) is a novel imaging modality for imaging the coupled electrical and mechanical properties of body tissues. In this paper, we used two experimental systems with different receiver configurations to obtain HMMDI images from tissue-mimicking phantoms at multiple vibration frequencies between 15 Hz and 35 Hz. In the first system, we used a spectrum analyzer to obtain the Doppler data in the frequency domain, while in the second one, we used a homodyne receiver that was designed to acquire time-domain data. The developed phantoms mimicked the elastic and dielectric properties of breast fat tissue, and included a [Formula: see text] mm cylindrical inclusion representing the tumor. A focused ultrasound probe was mechanically scanned in two lateral dimensions to obtain two-dimensional HMMDI images of the phantoms. The inclusions were resolved inside the fat phantom using both experimental setups. The image resolution increased with increasing vibration frequency. The designed receiver showed higher sensitivity than the spectrum analyzer measurements. The results also showed that time-domain data acquisition should be used to fully exploit the potential of the HMMDI method.

Two-dimensional multi-frequency imaging of a tumor inclusion in a homogeneous breast phantom using the harmonic motion Doppler imaging method

NASA Astrophysics Data System (ADS)

Kamali Tafreshi, Azadeh; Barış Top, Can; Güneri Gençer, Nevzat

2017-06-01

Harmonic motion microwave Doppler imaging (HMMDI) is a novel imaging modality for imaging the coupled electrical and mechanical properties of body tissues. In this paper, we used two experimental systems with different receiver configurations to obtain HMMDI images from tissue-mimicking phantoms at multiple vibration frequencies between 15 Hz and 35 Hz. In the first system, we used a spectrum analyzer to obtain the Doppler data in the frequency domain, while in the second one, we used a homodyne receiver that was designed to acquire time-domain data. The developed phantoms mimicked the elastic and dielectric properties of breast fat tissue, and included a 14~\\text{mm}× 9 mm cylindrical inclusion representing the tumor. A focused ultrasound probe was mechanically scanned in two lateral dimensions to obtain two-dimensional HMMDI images of the phantoms. The inclusions were resolved inside the fat phantom using both experimental setups. The image resolution increased with increasing vibration frequency. The designed receiver showed higher sensitivity than the spectrum analyzer measurements. The results also showed that time-domain data acquisition should be used to fully exploit the potential of the HMMDI method.

Software Defined Doppler Radar as a Contactless Multipurpose Microwave Sensor for Vibrations Monitoring.

PubMed

Raffo, Antonio; Costanzo, Sandra; Di Massa, Giuseppe

2017-01-08

A vibration sensor based on the use of a Software-Defined Radio (SDR) platform is adopted in this work to provide a contactless and multipurpose solution for low-cost real-time vibrations monitoring. In order to test the vibration detection ability of the proposed non-contact method, a 1 GHz Doppler radar sensor is simulated and successfully assessed on targets at various distances, with various oscillation frequencies and amplitudes. Furthermore, an SDR Doppler platform is practically realized, and preliminary experimental validations on a device able to produce a harmonic motion are illustrated to prove the effectiveness of the proposed approach.

Mechanisms of high-frequency song generation in brachypterous crickets and the role of ghost frequencies.

PubMed

Robillard, Tony; Montealegre-Z, Fernando; Desutter-Grandcolas, Laure; Grandcolas, Philippe; Robert, Daniel

2013-06-01

Sound production in crickets relies on stridulation, the well-understood rubbing together of a pair of specialised wings. As the file of one wing slides over the scraper of the other, a series of rhythmic impacts causes harmonic oscillations, usually resulting in the radiation of pure tones delivered at low frequencies (2-8 kHz). In the short-winged crickets of the Lebinthini tribe, acoustic communication relies on signals with remarkably high frequencies (>8 kHz) and rich harmonic content. Using several species of the subfamily Eneopterinae, we characterised the morphological and mechanical specialisations supporting the production of high frequencies, and demonstrated that higher harmonics are exploited as dominant frequencies. These specialisations affect the structure of the stridulatory file, the motor control of stridulation and the resonance of the sound radiator. We placed these specialisations in a phylogenetic framework and show that they serve to exploit high-frequency vibrational modes pre-existing in the phylogenetic ancestor. In Eneopterinae, the lower frequency components are harmonically related to the dominant peak, suggesting they are relicts of ancestral carrier frequencies. Yet, such ghost frequencies still occur in the wings' free resonances, highlighting the fundamental mechanical constraints of sound radiation. These results support the hypothesis that such high-frequency songs evolved stepwise, by a form of punctuated evolution that could be related to functional constraints, rather than by only the progressive increase of the ancestral fundamental frequency.

The visible spectrum of zirconium dioxide, ZrO2

NASA Astrophysics Data System (ADS)

Le, Anh; Steimle, Timothy C.; Gupta, Varun; Rice, Corey A.; Maier, John P.; Lin, Sheng H.; Lin, Chih-Kai

2011-09-01

The electronic spectrum of a cold molecular beam of zirconium dioxide, ZrO2, has been investigated using laser induced fluorescence (LIF) in the region from 17 000 cm-1 to 18 800 cm-1 and by mass-resolved resonance enhanced multi-photon ionization (REMPI) spectroscopy from 17 000 cm-1-21 000 cm-1. The LIF and REMPI spectra are assigned to progressions in the tilde A{^1}B_2(ν1, ν2, ν3) ← tilde X{^1}A_1(0, 0, 0) transitions. Dispersed fluorescence from 13 bands was recorded and analyzed to produce harmonic vibrational parameters for the tilde X{^1}A_1 state of ω1 = 898(1) cm-1, ω2 = 287(2) cm-1, and ω3 = 808(3) cm-1. The observed transition frequencies of 45 bands in the LIF and REMPI spectra produce origin and harmonic vibrational parameters for the tilde A{^1}B_2 state of Te = 16 307(8) cm-1, ω1 = 819(3) cm-1, ω2 = 149(3) cm-1, and ω3 = 518(4) cm-1. The spectra were modeled using a normal coordinate analysis and Franck-Condon factor predictions. The structures, harmonic vibrational frequencies, and the potential energies as a function of bending angle for the tilde A{^1}B_2 and tilde X{^1}A_1 states are predicted using time-dependent density functional theory, complete active space self-consistent field, and related first-principle calculations. A comparison with isovalent TiO2 is made.

Relationship between neighbor number and vibrational spectra in disordered colloidal clusters with attractive interactions

NASA Astrophysics Data System (ADS)

Yunker, Peter J.; Zhang, Zexin; Gratale, Matthew; Chen, Ke; Yodh, A. G.

2013-03-01

We study connections between vibrational spectra and average nearest neighbor number in disordered clusters of colloidal particles with attractive interactions. Measurements of displacement covariances between particles in each cluster permit calculation of the stiffness matrix, which contains effective spring constants linking pairs of particles. From the cluster stiffness matrix, we derive vibrational properties of corresponding "shadow" glassy clusters, with the same geometric configuration and interactions as the "source" cluster but without damping. Here, we investigate the stiffness matrix to elucidate the origin of the correlations between the median frequency of cluster vibrational modes and average number of nearest neighbors in the cluster. We find that the mean confining stiffness of particles in a cluster, i.e., the ensemble-averaged sum of nearest neighbor spring constants, correlates strongly with average nearest neighbor number, and even more strongly with median frequency. Further, we find that the average oscillation frequency of an individual particle is set by the total stiffness of its nearest neighbor bonds; this average frequency increases as the square root of the nearest neighbor bond stiffness, in a manner similar to the simple harmonic oscillator.

Intramolecular hydrogen bonding in N-salicylideneaniline: FT-IR spectrum and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Moosavi-Tekyeh, Zainab; Dastani, Najmeh

2015-12-01

FT-IR and FT-Raman spectra of N-salicylideneaniline (SAn) and its deuterated analogue (D-SAn) are recorded, and the theoretical calculations are performed on their molecular structures and vibrational frequencies. The same calculations are performed for SAn in different solutions using the polarizable conductor continuum model (CPCM) method. Comparisons between the spectra obtained and the corresponding theoretical calculations are used to assign the vibrational frequencies for these compounds. The spectral behavior of SAn upon deuteration is also used to distinguish the positions of OH vibrational frequencies. The hydrogen bond strength of SAn is investigated by applying the atoms-in-molecules (AIM) theory, natural bond orbital (NBO) analysis, and geometry calculations. The harmonic vibrational frequencies of SAn are calculated at B3LYP and X3LYP levels of theory using 6-31G*, 6-311G**, and 6-311++G** basis sets. The AIM results support a medium hydrogen bonding in SAn. The observed νOH/νOD and γOH/γOD for SAn appear at 2940/2122 and 830/589 cm-1, respectively.

Vibrational dephasing in matter-wave interferometers

NASA Astrophysics Data System (ADS)

Rembold, A.; Schütz, G.; Röpke, R.; Chang, W. T.; Hwang, I. S.; Günther, A.; Stibor, A.

2017-03-01

Matter-wave interferometry is a highly sensitive tool to measure small perturbations in a quantum system. This property allows the creation of precision sensors for dephasing mechanisms such as mechanical vibrations. They are a challenge for phase measurements under perturbing conditions that cannot be perfectly decoupled from the interferometer, e.g. for mobile interferometric devices or vibrations with a broad frequency range. Here, we demonstrate a method based on second-order correlation theory in combination with Fourier analysis, to use an electron interferometer as a sensor that precisely characterizes the mechanical vibration spectrum of the interferometer. Using the high spatial and temporal single-particle resolution of a delay line detector, the data allows to reveal the original contrast and spatial periodicity of the interference pattern from ‘washed-out’ matter-wave interferograms that have been vibrationally disturbed in the frequency region between 100 and 1000 Hz. Other than with electromagnetic dephasing, due to excitations of higher harmonics and additional frequencies induced from the environment, the parts in the setup oscillate with frequencies that can be different to the applied ones. The developed numerical search algorithm is capable to determine those unknown oscillations and corresponding amplitudes. The technique can identify vibrational dephasing and decrease damping and shielding requirements in electron, ion, neutron, atom and molecule interferometers that generate a spatial fringe pattern on the detector plane.

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

NASA Astrophysics Data System (ADS)

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

2013-04-01

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

Optimum design of a novel pounding tuned mass damper under harmonic excitation

NASA Astrophysics Data System (ADS)

Wang, Wenxi; Hua, Xugang; Wang, Xiuyong; Chen, Zhengqing; Song, Gangbing

2017-05-01

In this paper, a novel pounding tuned mass damper (PTMD) utilizing pounding damping is proposed to reduce structural vibration by increasing the damping ratio of a lightly damped structure. The pounding boundary covered by viscoelastic material is fixed right next to the tuned mass when the spring-mass system is in the equilibrium position. The dynamic properties of the proposed PTMD, including the natural frequency and the equivalent damping ratio, are derived theoretically. Moreover, the numerical simulation method by using an impact force model to study the PTMD is proposed and validated by pounding experiments. To minimize the maximum dynamic magnification factor under harmonic excitations, an optimum design of the PTMD is developed. Finally, the optimal PTMD is implemented to control a lightly damped frame structure. A comparison of experimental and simulated results reveals that the proposed impact force model can accurately model the pounding force. Furthermore, the proposed PTMD is effective to control the vibration in a wide frequency range, as demonstrated experimentally.

Nonlinear frequency response based adaptive vibration controller design for a class of nonlinear systems

NASA Astrophysics Data System (ADS)

Thenozhi, Suresh; Tang, Yu

2018-01-01

Frequency response functions (FRF) are often used in the vibration controller design problems of mechanical systems. Unlike linear systems, the FRF derivation for nonlinear systems is not trivial due to their complex behaviors. To address this issue, the convergence property of nonlinear systems can be studied using convergence analysis. For a class of time-invariant nonlinear systems termed as convergent systems, the nonlinear FRF can be obtained. The present paper proposes a nonlinear FRF based adaptive vibration controller design for a mechanical system with cubic damping nonlinearity and a satellite system. Here the controller gains are tuned such that a desired closed-loop frequency response for a band of harmonic excitations is achieved. Unlike the system with cubic damping, the satellite system is not convergent, therefore an additional controller is utilized to achieve the convergence property. Finally, numerical examples are provided to illustrate the effectiveness of the proposed controller.

Theoretical Studies on Heavy Metal Sulfides in Solution

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

Tossell, John A.

2007-10-31

'Calculating the stabilities, Raman and UV spectra and acidities of As sulfides in aqueous solution', J. A. Tossell, M. D. Zimmermann and G. R. Helz. Some of the Raman spectra obtained by reacting aqueous As(OH)3 with aqueous bisulfide are shown, taken from Wood, et al. (2002). To interpret these spectra we have carried out an extensive series of calculations, detailed for the case of AsS(SH){sub 2}{sup -} in Table 1 below. By employing state of the art quantum chemical techniques to determine gas-phase harmonic and anharmonic frequencies and solution phase corrections we can accurately match features in the experimental spectrummore » shown in the top figure. The AsS(SH){sub 2}{sup -}...22 H{sub 2}O nanocluster employed is shown in the lower figure. For this species we have calculated the equilibrium structure and the harmonic vibrational spectrum at the CBSB7 B3LYP level. For the free solute species AsS(SH){sub 2}{sup -} we have carried out a whole series of calculations, evaluating harmonic and anharmonic vibrational frequencies at a number of different quantum mechanical levels. In the spectra below, Fig. 3 and Fig. 5 from Wood, et al. (2002), the features around 700-800 cm{sup -1} are attributed to As-O stretches and those around 350-450 cm{sup -1} to As-S stretches. In the nanocluster an isolated vibrational feature is observed at 425 cm{sup -1}, an As=S stretch, close to the value (415 cm{sup -1}) determined by Wood, et al. (2002). Analysis of the calculated frequencies for AsS(SH){sub 2}{sup -} within a polarizable continuum model yields a similar result. Taking the highest level harmonic results, obtained from a CCSD calculation, and adding anharmonic and PCM corrections at the B3LYP level (designated (3) + (5) - (1) in Table 1) gives a frequency for the intense high frequency As=S stretch within 15 cm{sup -1} of experiment. Although there is still interesting work to be done on the stabilities and the Raman and UV spectra of As sulfides, most of the basic concepts have been worked out and we are therefore proposing to move to a new area, that of humic acids (while continuing our studies complexes formed by As oxides and sulfides, now applied to functional groups present in humic acids).« less

The influence of anharmonic and solvent effects on the theoretical vibrational spectra of the guanine-cytosine base pairs in Watson-Crick and Hoogsteen configurations.

PubMed

Bende, Attila; Muntean, Cristina M

2014-03-01

The theoretical IR and Raman spectra of the guanine-cytosine DNA base pairs in Watson-Crick and Hoogsteen configurations were computed using DFT method with M06-2X meta-hybrid GGA exchange-correlation functional, including the anharmonic corrections and solvent effects. The results for harmonic frequencies and their anharmonic corrections were compared with our previously calculated values obtained with the B3PW91 hybrid GGA functional. Significant differences were obtained for the anharmonic corrections calculated with the two different DFT functionals, especially for the stretching modes, while the corresponding harmonic frequencies did not differ considerable. For the Hoogtseen case the H⁺ vibration between the G-C base pair can be characterized as an asymmetric Duffing oscillator and therefore unrealistic anharmonic corrections for normal modes where this proton vibration is involved have been obtained. The spectral modification due to the anharmonic corrections, solvent effects and the influence of sugar-phosphate group for the Watson-Crick and Hoogsteen base pair configurations, respectively, were also discussed. For the Watson-Crick case also the influence of the stacking interaction on the theoretical IR and Raman spectra was analyzed. Including the anharmonic correction in our normal mode analysis is essential if one wants to obtain correct assignments of the theoretical frequency values as compared with the experimental spectra.

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

NASA Technical Reports Server (NTRS)

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

2002-01-01

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

Analysis of Vibration and Acoustic Noise in Permanent Magnet Motors.

NASA Astrophysics Data System (ADS)

Hwang, Sangmoon

The drive motor is a frequent source of vibration and acoustic noise in many precision spindle motors. One of the electromagnetic sources of vibration in permanent magnet motors is the torque ripple, consisting of the reluctance torque and electromagnetic torque fluctuation. This type of vibration is becoming more serious with the advent of new high-grade magnets with increased flux density. Acoustic noise of electromagnetic origin is difficult to predict and its exact mechanism is unclear. The mechanism of noise generation should be revealed to design a quieter motor which is the modern customer's demand. For motor operation at low speeds and loads, torque ripple due to the reluctance torque is often a source of vibration and control difficulty. The reluctance torque in a motor was calculated from the flux density by a finite element method and the Maxwell stress method. Effects of design parameters, such as stator slot width, permanent slot width, airgap length and magnetization direction, were investigated. Magnet pole shaping, by gradually decreasing the magnet thickness toward edges, yields a sinusoidal shape of the reluctance torque with reduced harmonics, thus reducing the vibration. This dissertation also presents two motor design techniques: stator tooth notching and rotor pole skewing with magnet pole shaping, and the effect of each method on the output torque. The analysis shows that the reluctance torque can be nearly eliminated by the suggested designs, with minimal sacrifice of the output torque. In permanent magnet DC motors, the most popular design type is the trapezoidal back electro-motive force (BEMF), for switched DC controllers. It is demonstrated that the output torque profile of one phase energized is qualitatively equivalent to the BEMF profile for motors with reduced reluctance torque. It implies that design of BEMF profile is possible by magnetic modeling of a motor, without expensive and time-consuming experiments for different designs. The effect of various design parameters on the output torque and torque ripple are discussed. Design parameters include winding patterns, magnetization direction, magnet arc length, number of segments in poles and magnet pole shaping. New designs of trapezoidal BEMF motors are proposed to reduce the electromagnetic torque ripple. Magnet stepping and magnet edge shaping with reduced arc length, significantly reduce torque ripple, with minimal sacrifice of the maximum output torque. Acoustic noise of electromagnetic origin is investigated using a magnetic frame which emulates a DC motor. The driving electromagnetic force is calculated using finite element analysis and the resulting vibration and acoustic noise is measured. Acoustic noise of purely electromagnetic origin was also tested with a DC brushless motor to confirm the results of the magnetic frame. The mechanism of noise generation in a DC motor is a quasi-static response of a stator not only at the fundamental frequency but also at higher harmonic frequencies of alternating switched DC, which is a current characteristic of a DC motor. Noise generation is significantly aggravated when some of those harmonics are close to the resonant frequencies of the stator. Therefore, acoustic noise is highly dependent upon the excitation current shape, as higher harmonics may match with resonant frequencies of the stator.

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

Matanovic, Ivana; Atanassov, Plamen; Kiefer, Boris

The structural equilibrium parameters, the adsorption energies, and the vibrational frequencies of the nitrogen molecule and the hydrogen atom adsorbed on the (111) surface of rhodium have been investigated using different generalized-gradient approximation (GGA), nonlocal correlation, meta-GGA, and hybrid functionals, namely, Perdew, Burke, and Ernzerhof (PBE), Revised-RPBE, vdW-DF, Tao, Perdew, Staroverov, and Scuseria functional (TPSS), and Heyd, Scuseria, and Ernzerhof (HSE06) functional in the plane wave formalism. Among the five tested functionals, nonlocal vdW-DF and meta-GGA TPSS functionals are most successful in describing energetics of dinitrogen physisorption to the Rh(111) surface, while the PBE functional provides the correct chemisorption energymore » for the hydrogen atom. It was also found that TPSS functional produces the best vibrational spectra of the nitrogen molecule and the hydrogen atom on rhodium within the harmonic formalism with the error of 22.62 and 21.1% for the NAN stretching and RhAH stretching frequency. Thus, TPSS functional was proposed as a method of choice for obtaining vibrational spectra of low weight adsorbates on metallic surfaces within the harmonic approximation. At the anharmonic level, by decoupling the RhAH and NAN stretching modes from the bulk phonons and by solving one- and two-dimensional Schr€odinger equation associated with the RhAH, RhAN, and NAN potential energy we calculated the anharmonic correction for NAN and RhAH stretching modes as 231 cm21 and 277 cm21 at PBE level. Anharmonic vibrational frequencies calculated with the use of the hybrid HSE06 function are in best agreement with available experiments.« less

Vibrational spectroscopic study of terbutaline hemisulphate

NASA Astrophysics Data System (ADS)

Ali, H. R. H.; Edwards, H. G. M.; Kendrick, J.; Scowen, I. J.

2009-05-01

The Raman spectrum of terbutaline hemisulphate is reported for the first time, and molecular assignments are proposed on the basis of ab initio BLYP DFT calculations with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation; these predictions compare favourably with the observed vibrational spectra. Comparison with previously published infrared data explains several spectral features. The results from this study provide data that can be used for the preparative process monitoring of terbutaline hemisulphate, an important β 2 agonist drug in various dosage forms and its interaction with excipients and other components.

Detecting Nano-Scale Vibrations in Rotating Devices by Using Advanced Computational Methods

PubMed Central

del Toro, Raúl M.; Haber, Rodolfo E.; Schmittdiel, Michael C.

2010-01-01

This paper presents a computational method for detecting vibrations related to eccentricity in ultra precision rotation devices used for nano-scale manufacturing. The vibration is indirectly measured via a frequency domain analysis of the signal from a piezoelectric sensor attached to the stationary component of the rotating device. The algorithm searches for particular harmonic sequences associated with the eccentricity of the device rotation axis. The detected sequence is quantified and serves as input to a regression model that estimates the eccentricity. A case study presents the application of the computational algorithm during precision manufacturing processes. PMID:22399918

Effect of Synthesized Propeller Vibration on Passenger Annoyance in a Turboprop Interior Noise Environment

NASA Technical Reports Server (NTRS)

Clevenson, S. A.

1982-01-01

The effect of synthesized propeller vibration on passenger annoyance to aircraft noise was investigated in passenger ride quality apparatus. Passenger reactions of annoyance to a wide range of potential turboprop interior noise environments were obtained under three simulated vibration conditions: no vibration, armrest vibration, and armrest plus cabin vibration. The noises, ranging from 71 to 95 dB(A) consisted of a turbulent boundary layer with a factorial combination of five blade passage frequencies (50 to 200 Hz), two harmonic roll offs, and three tone to noise ratios. Results indicate that passenger annoyance to noise in the presence of armrest vibration did not significantly change. However, those passengers exposed to cabin plus armrest vibration while being exposed to noise lower rating for the combined cabin vibration and noise environment compared with the rating for the noise along environment. This result is predicted by the ride quality model.

Spectroscopic notes of Methyl Red (MR) dye.

PubMed

El-Mansy, M A M; Yahia, I S

2014-09-15

In the present work, a combined experimental and theoretical study on molecular structure and vibrational frequencies of MR were reported. The FT-IR spectrum of MR is recorded in the solid phase. The equilibrium geometries, harmonic vibrational frequencies, thermo-chemical parameters, total dipole moment and HOMO-LUMO energies are calculated by DFT/B3LYP utilizing 6-311G(d,p) basis set. Results showed that MR is highly recommended to be a promising structure for many applications in optoelectronic devices due to its high calculated dipole moment value (7.2 Debye) and lower HOMO-LUMO energy gap of 3.5 eV. Copyright © 2014 Elsevier B.V. All rights reserved.

Investigations on Vibration Characteristics of Sma Embedded Horizontal Axis Wind Turbine Blade

NASA Astrophysics Data System (ADS)

Jagadeesh, V.; Yuvaraja, M.; Chandhru, A.; Viswanathan, P.; Senthil kumar, M.

2018-02-01

Vibration induced in wind turbine blade is a solemn problem as it reduces the life of the blade and also it can create critical vibration onto the tower, which may cause serious damage to the tower. The aim of this paper is to investigate the vibration characteristics of the prototype horizontal axis wind turbine blade. Shape memory alloys (SMA), with its variable physical properties, provides an alternative actuating mechanism. Heating an SMA causes a change in the elastic modulus of the material and hence SMAs are used as a damping material. A prototype blade with S1223 profile has been manufactured and the natural frequency is found. The natural frequency is found by incorporating the single SMA wire of 0.5mm diameter over the surface of the blade for a length of 240 mm. Similarly, number of SMA wires over the blade is increased up to 3 and the natural frequency is found. Frequency responses showed that the embedment of SMA over the blade’s surface will increase the natural frequency and reduce the amplitude of vibration. This is because of super elastic nature of SMA. In this paper, when SMA wire of 0.5 mm diameter and of length of 720 mm is embedded on the blade, an increase in the natural frequency by 6.3% and reducing the amplitude by 64.8%. Results of the experimental modal and harmonic indicates the effectiveness of SMA as a passive vibration absorber and that it has potential as a modest and high-performance method for controlling vibration of the blade.

Dynamic analysis of periodic vibration suppressors with multiple secondary oscillators

NASA Astrophysics Data System (ADS)

Ma, Jiangang; Sheng, Meiping; Guo, Zhiwei; Qin, Qi

2018-06-01

A periodic vibration suppressor with multiple secondary oscillators is examined in this paper to reduce the low-frequency vibration. The band-gap properties of infinite periodic structure and vibration transmission properties of finite periodic structure attached with secondary oscillators with arbitrary degree of freedom are thoroughly analyzed by the plane-wave-expansion method. A simply supported plate with a periodic rectangular array of vibration suppressors is considered. The dynamic model of this periodic structure is established and the equation of harmonic vibration response is theoretically derived and numerically examined. Compared with the simply supported plate without attached suppressors, the proposed plate can obtain better vibration control, and the vibration response can be effectively reduced in several frequency bands owing to the multiple band-gap property. By analyzing the modal properties of the periodic vibration suppressors, the relationship between modal frequencies and the parameters of spring stiffness and mass is established. With the numerical results, the design guidance of the locally resonant structure with multiple secondary oscillators is proposed to provide practical guidance for application. Finally, a practical periodic specimen is designed and fabricated, and then an experiment is carried out to validate the effectiveness of periodic suppressors in the reality. The results show that the experimental band gaps have a good coincidence with those in the theoretical model, and the low-frequency vibration of the plate with periodic suppressors can be effectively reduced in the tuned band gaps. Both the theoretical results and experimental results prove that the design method is effective and the structure with periodic suppressors has a promising application in engineering.

Aeroelastic Computations of a Compressor Stage Using the Harmonic Balance Method

NASA Technical Reports Server (NTRS)

Reddy, T. S. R.

2010-01-01

The aeroelastic characteristics of a compressor stage were analyzed using a computational fluid dynamic (CFD) solver that uses the harmonic balance method to solve the governing equations. The three dimensional solver models the unsteady flow field due to blade vibration using the Reynolds-Averaged Navier-Stokes equations. The formulation enables the study of the effect of blade row interaction through the inclusion of coupling modes between blade rows. It also enables the study of nonlinear effects of high amplitude blade vibration by the inclusion of higher harmonics of the fundamental blade vibration frequency. In the present work, the solver is applied to study in detail the aeroelastic characteristics of a transonic compressor stage. Various parameters were included in the study: number of coupling modes, blade row axial spacing, and operating speeds. Only the first vibration mode is considered with amplitude of oscillation in the linear range. Both aeroelastic stability (flutter) of rotor blade and unsteady loading on the stator are calculated. The study showed that for the stage considered, the rotor aerodynamic damping is not influenced by the presence of the stator even when the axial spacing is reduced by nearly 25 percent. However, the study showed that blade row interaction effects become important for the unsteady loading on the stator when the axial spacing is reduced by the same amount.

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 bilirubin level [umol/l] in blood serum from 14.05 to 9.70 for 82% of participants, the probability level being p = 0.000041.

Investigation of Student Reasoning about Harmonic Motions

NASA Astrophysics Data System (ADS)

Tongnopparat, N.; Poonyawatpornkul, J.; Wattanakasiwich, P.

This study aimed to investigate student reasoning about harmonic oscillations. We conducted a semi-structured interview based on three situations of harmonic motions—(1) a mass attaching to spring and horizontally oscillating without damping, (2) the same situation but vertically oscillating and (3) a mass attaching to spring and oscillating in viscous liquid. Forty-five second-year students taking a vibrations and wave course at Chiang Mai University, Thailand participated in a fifteen-minute interview, which was video-recorded. The videos were transcribed and analyzed by three physics instructors. As results, we found that most students had misconceptions about angular frequency and energy mostly in the second and third situations.

[Objective study of the voice quality following partial laryngectomy].

PubMed

Remacle, M; Millet, B

1991-01-01

The high resolution frequency analyzer is used for the study of the vocal quality after partial laryngectomy. The post-operative plot after speech therapy is of good quality when respecting one vocal fold. On the contrary, the heard vocal sound does not correspond to the harmonics of the fundamental frequency but to intense noise from irregular vibrations of the residual laryngeal mucosa (ventricular folds, arytenoids). High resolution frequency analysis contributes to the follow-up of the partial laryngectomy.

Investigations on bending-torsional vibrations of rotor during rotor-stator rub using Lagrange multiplier method

NASA Astrophysics Data System (ADS)

Mokhtar, Md Asjad; Kamalakar Darpe, Ashish; Gupta, Kshitij

2017-08-01

The ever-increasing need of highly efficient rotating machinery causes reduction in the clearance between rotating and non-rotating parts and increase in the chances of interaction between these parts. The rotor-stator contact, known as rub, has always been recognized as one of the potential causes of rotor system malfunctions and a source of secondary failures. It is one of few causes that influence both lateral and torsional vibrations. In this paper, the rotor stator interaction phenomenon is investigated in the finite element framework using Lagrange multiplier based contact mechanics approach. The stator is modelled as a beam that can respond to axial penetration and lateral friction force during the contact with the rotor. It ensures dynamic stator contact boundary and more realistic contact conditions in contrast to most of the earlier approaches. The rotor bending-torsional mode coupling during contact is considered and the vibration response in bending and torsion are analysed. The effect of parameters such as clearance, friction coefficient and stator stiffness are studied at various operating speeds and it has been found that certain parameter values generate peculiar rub related features. Presence of sub-harmonics in the lateral vibration frequency spectra are prominently observed when the rotor operates near the integer multiple of its lateral critical speed. The spectrum cascade of torsional vibration shows the presence of bending critical speed along with the larger amplitudes of frequencies close to torsional natural frequency of the rotor. When m × 1/n X frequency component of rotational frequency comes closer to the torsional natural frequency, stronger torsional vibration amplitude is noticed in the spectrum cascade. The combined information from the stator vibration and rotor lateral-torsional vibration spectral features is proposed for robust rub identification.

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

NASA Astrophysics Data System (ADS)

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

2013-07-01

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

Gyro-elastic beams for the vibration reduction of long flexural systems.

PubMed

Carta, G; Jones, I S; Movchan, N V; Movchan, A B; Nieves, M J

2017-07-01

The paper presents a model of a chiral multi-structure incorporating gyro-elastic beams. Floquet-Bloch waves in periodic chiral systems are investigated in detail, with the emphasis on localization and the formation of standing waves. It is found that gyricity leads to low-frequency standing modes and generation of stop-bands. A design of an earthquake protection system is offered here, as an interesting application of vibration isolation. Theoretical results are accompanied by numerical simulations in the time-harmonic regime.

Non-linear vibrations of sandwich viscoelastic shells

NASA Astrophysics Data System (ADS)

Benchouaf, Lahcen; Boutyour, El Hassan; Daya, El Mostafa; Potier-Ferry, Michel

2018-04-01

This paper deals with the non-linear vibration of sandwich viscoelastic shell structures. Coupling a harmonic balance method with the Galerkin's procedure, one obtains an amplitude equation depending on two complex coefficients. The latter are determined by solving a classical eigenvalue problem and two linear ones. This permits to get the non-linear frequency and the non-linear loss factor as functions of the displacement amplitude. To validate our approach, these relationships are illustrated in the case of a circular sandwich ring.

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

Hatchell, Brian K.; Mauss, Fredrick J.; Amaya, Ivan A.

Military missiles are exposed to many sources of mechanical vibration that can affect system reliability, safety, and mission effectiveness. The U. S. Army Aviation and Missile Research Development and Engineering Center (AMRDEC) has been developing missile health monitoring systems to assess and improve reliability, reduce life cycle costs, and increase system readiness. One of the most significant exposures to vibration occurs when the missile is being carried by a helicopter or other aviation platform, which is a condition known as captive carry. Recording the duration of captive carry exposure during the missile’s service life can enable the implementation of predictivemore » maintenance and resource management programs. Since the vibration imparted by each class of helicopter varies in frequency and amplitude, tracking the vibration exposure from each helicopter separately can help quantify the severity and harmonic content of the exposure. Under the direction of AMRDEC staff, engineers at the Pacific Northwest National Laboratory have developed a Captive Carry Health Monitor (CCHM) for the Hellfire II missile. The CCHM is an embedded usage monitoring device installed on the outer skin of the Hellfire II missile to record the cumulative hours the host missile has been in captive carry mode. To classify the vibration by class of helicopter, the CCHM analyzes the amplitude and frequency content of the vibration with the Goertzel algorithm to detect the presence of distinctive rotor harmonics. Cumulative usage data are accessible in theater from an external display; monthly usage histograms are accessible through an internal download connector. This paper provides an overview of the CCHM electrical and package design, describes field testing and data analysis techniques used to monitor captive carry identify and the class of helicopter, and discusses the potential application of missile health and usage data for real-time reliability analysis and fleet management.« less

The vibrational spectrum of H2O3: An ab initio investigation

NASA Technical Reports Server (NTRS)

Jackels, Charles F.

1991-01-01

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

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

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

Miliordos, Evangelos; Xantheas, Sotiris S.

We propose a general procedure for the numerical calculation of the harmonic vibrational frequencies that is based on internal coordinates and Wilson’s GF methodology via double differentiation of the energy. The internal coordinates are defined as the geometrical parameters of a Z-matrix structure, thus avoiding issues related to their redundancy. Linear arrangements of atoms are described using a dummy atom of infinite mass. The procedure has been automated in FORTRAN90 and its main advantage lies in the nontrivial reduction of the number of single-point energy calculations needed for the construction of the Hessian matrix when compared to the corresponding numbermore » using double differentiation in Cartesian coordinates. For molecules of C 1 symmetry the computational savings in the energy calculations amount to 36N – 30, where N is the number of atoms, with additional savings when symmetry is present. Typical applications for small and medium size molecules in their minimum and transition state geometries as well as hydrogen bonded clusters (water dimer and trimer) are presented. Finally, in all cases the frequencies based on internal coordinates differ on average by <1 cm –1 from those obtained from Cartesian coordinates.« less

Energy Harvesting for Self-Powered, Ultra-Low Power Microsystems With a Focus on Vibration-Based Electromechanical Conversion

DTIC Science & Technology

2009-09-01

harmonic frequency of the system , ωn, given as ,n k m   (5) must equal the excitation frequency in order to achieve maximum power. Because of ...characteristic of persistence in mind, a management system is required to mediate the profiles of energy generation and consumption. 53 V. CONCLUSION...they do have a long-term negative environmental impact . An alternative to

The Impact of Complex Forcing on the Viscous Torsional Vibration Damper's Work in the Crankshaft of the Rotating Combustion Engine

NASA Astrophysics Data System (ADS)

Jagiełowicz-Ryznar, C.

2016-12-01

The numerical calculations results of torsional vibration of the multi-cylinder crankshaft in the serial combustion engine (MC), including a viscous damper (VD), at complex forcing, were shown. In fact, in the MC case the crankshaft rotation forcings spectrum is the sum of harmonic forcing whose amplitude can be compared with the amplitude of the 1st harmonic. A significant impact, in the engine operational velocity, on the vibration damping process of MC, may be the amplitude of the 2nd harmonic of a forcing moment. The calculations results of MC vibration, depending on the amplitude of the 2nd harmonic of the forcing moment, for the first form of the torsional vibration, were shown. Higher forms of torsional vibrations have no practical significance. The calculations assume the optimum damping coefficient VD, when the simple harmonic forcing is equal to the base critical velocity of the MC crankshaft.

Vibration of high-voltage electric machines with rotors on rolling bearings

NASA Astrophysics Data System (ADS)

Shekyan, H. G.; Gevorgyan, A. V.

2018-04-01

The paper presents an investigation of vibrational activity of electric machines due to high-harmonic vibrational loadings. It is shown that the vibrational loadings experienced by bearings may result in the interruption of their normal operation and even take them out of action. Therefore, the values of the vibrational speed-up leading to high harmonics are factors determining the admissible dynamic loading on the bearings. In the paper, an attempt is made to consider the factors which result in origination of high harmonics and to illustrate methods for their smoothing.

Low-amplitude non-linear volume vibrations of single microbubbles measured with an "acoustical camera".

PubMed

Renaud, Guillaume; Bosch, Johan G; Van Der Steen, Antonius F W; De Jong, Nico

2014-06-01

Contrast-enhanced ultrasound imaging is based on the detection of non-linear vibrational responses of a contrast agent after its intravenous administration. Improving contrast-enhanced images requires an accurate understanding of the vibrational response to ultrasound of the lipid-coated gas microbubbles that constitute most ultrasound contrast agents. Variations in the volume of microbubbles provide the most efficient radiation of ultrasound and, therefore, are the most important bubble vibrations for medical diagnostic ultrasound imaging. We developed an "acoustical camera" that measures the dynamic volume change of individual microbubbles when excited by a pressure wave. In the work described here, the technique was applied to the characterization of low-amplitude non-linear behaviors of BR14 microbubbles (Bracco Research, Geneva, Switzerland). The amplitude dependence of the resonance frequency and the damping, the prevalence of efficient subharmonic and ultraharmonic vibrations and the amplitude dependence of the response at the fundamental frequency and at the second harmonic frequency were investigated. Because of the large number of measurements, we provide a statistical characterization of the low-amplitude non-linear properties of the contrast agent. Copyright © 2014 World Federation for Ultrasound in Medicine & Biology. Published by Elsevier Inc. All rights reserved.

Vibration analysis of angle-ply laminated composite plates with an embedded piezoceramic layer.

PubMed

Lin, Hsien-Yang; Huang, Jin-Hung; Ma, Chien-Ching

2003-09-01

An optical full-field technique, called amplitude-fluctuation electronic speckle pattern interferometry (AF-ESPI), is used in this study to investigate the force-induced transverse vibration of an angle-ply laminated composite embedded with a piezoceramic layer (piezolaminated plates). The piezolaminated plates are excited by applying time-harmonic voltages to the embedded piezoceramic layer. Because clear fringe patterns will appear only at resonant frequencies, both the resonant frequencies and mode shapes of the vibrating piezolaminated plates with five different fiber orientation angles are obtained by the proposed AF-ESPI method. A laser Doppler vibrometer (LDV) system that has the advantage of high resolution and broad dynamic range also is applied to measure the frequency response of piezolaminated plates. In addition to the two proposed optical techniques, numerical computations based on a commercial finite element package are presented for comparison with the experimental results. Three different numerical formulations are used to evaluate the vibration characteristics of piezolaminated plates. Good agreements of the measured data by the optical method and the numerical results predicted by the finite element method (FEM) demonstrate that the proposed methodology in this study is a powerful tool for the vibration analysis of piezolaminated plates.

Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1 H-benzo[ d]imidazole by ab initio Hartree-Fock and density functional methods

NASA Astrophysics Data System (ADS)

Arslan, Hakan; Algül, Öztekin

2008-06-01

The room temperature attenuated total reflection Fourier transform infrared spectrum of the 2-(4-methoxyphenyl)-1 H-benzo[ d]imidazole has been recorded with diamond/ZnSe prism. The conformational behaviour, structural stability of optimized geometry, frequency and intensity of the vibrational bands of the title compound were investigated by utilizing ab initio calculations with 6-311G** basis set at HF, B3LYP, BLYP, B3PW91 and mPW1PW91 levels. The harmonic vibrational frequencies were calculated and scaled values have been compared with experimental IR spectrum. The observed and the calculated frequencies are found to be in good agreement. The theoretical vibrational spectra of the title compound were interpreted by means of potential energy distributions using VEDA 4 program. Furthermore, the optimal uniform scaling factors calculated for the title compound are 0.9120, 0.9596, 0.9660, 0.9699, and 0.9993 for HF, mPW1PW91, B3PW91, B3LYP and BLYP methods, respectively.

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

NASA Astrophysics Data System (ADS)

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

2014-09-01

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

Comparative Research on Characteristics of the Isolation Systems with Dry Friction Damping and with Vicious Damping under Base Excitation

NASA Astrophysics Data System (ADS)

Hou, Junfang; jing, Min; Zhang, Weihua; Lu, Yahui; He, Haiwen

2017-12-01

As for the isolation problem of electronic equipments on vehicle, the vibration response characteristics of dry friction damping isolation system under base displacement excitation was analyzed in theory by harmonic balance method, and the displacement response was compared between the isolation systems with dry friction damping and vicious damping separately. The results show that the isolation system with small dry friction damping can’t meet the demands of displacement reduction close to the natural frequency, and it can realize full-frequency vibration isolation by improving dry friction damping when the lock frequency passes beyond the resonance frequency band. The results imply that the damping mechanism of dry friction isolator can’t be described only by dry friction damping, and the composite damping with dry friction and vicious damping is more appropriate.

Vibration and noise analysis of a gear transmission system

NASA Technical Reports Server (NTRS)

Choy, F. K.; Qian, W.; Zakrajsek, J. J.; Oswald, F. B.

1993-01-01

This paper presents a comprehensive procedure to predict both the vibration and noise generated by a gear transmission system under normal operating conditions. The gearbox vibrations were obtained from both numerical simulation and experimental studies using a gear noise test rig. In addition, the noise generated by the gearbox vibrations was recorded during the experimental testing. A numerical method was used to develop linear relationships between the gearbox vibration and the generated noise. The hypercoherence function is introduced to correlate the nonlinear relationship between the fundamental noise frequency and its harmonics. A numerical procedure was developed using both the linear and nonlinear relationships generated from the experimental data to predict noise resulting from the gearbox vibrations. The application of this methodology is demonstrated by comparing the numerical and experimental results from the gear noise test rig.

Field Balancing and Harmonic Vibration Suppression in Rigid AMB-Rotor Systems with Rotor Imbalances and Sensor Runout.

PubMed

Xu, Xiangbo; Chen, Shao

2015-08-31

Harmonic vibrations of high-speed rotors in momentum exchange devices are primary disturbances for attitude control of spacecraft. Active magnetic bearings (AMBs), offering the ability to control the AMB-rotor dynamic behaviors, are preferred in high-precision and micro-vibration applications, such as high-solution Earth observation satellites. However, undesirable harmonic displacements, currents, and vibrations also occur in the AMB-rotor system owing to the mixed rotor imbalances and sensor runout. To compensate the rotor imbalances and to suppress the harmonic vibrations, two control methods are presented. Firstly, a four degrees-of-freedom AMB-rotor model with the static imbalance, dynamic imbalance, and the sensor runout are described. Next, a synchronous current reduction approach with a variable-phase notch feedback is proposed, so that the rotor imbalances can be identified on-line through the analysis of the synchronous displacement relationships of the geometric, inertial, and rotational axes of the rotor. Then, the identified rotor imbalances, which can be represented at two prescribed balancing planes of the rotor, are compensated by discrete add-on weights whose masses are calculated in the vector form. Finally, a repetitive control algorithm is utilized to suppress the residual harmonic vibrations. The proposed field balancing and harmonic vibration suppression strategies are verified by simulations and experiments performed on a control moment gyro test rig with a rigid AMB-rotor system. Compared with existing methods, the proposed strategies do not require trial weights or an accurate model of the AMB-rotor system. Moreover, the harmonic displacements, currents, and vibrations can be well-attenuated simultaneously.

Field Balancing and Harmonic Vibration Suppression in Rigid AMB-Rotor Systems with Rotor Imbalances and Sensor Runout

PubMed Central

Xu, Xiangbo; Chen, Shao

2015-01-01

Harmonic vibrations of high-speed rotors in momentum exchange devices are primary disturbances for attitude control of spacecraft. Active magnetic bearings (AMBs), offering the ability to control the AMB-rotor dynamic behaviors, are preferred in high-precision and micro-vibration applications, such as high-solution Earth observation satellites. However, undesirable harmonic displacements, currents, and vibrations also occur in the AMB-rotor system owing to the mixed rotor imbalances and sensor runout. To compensate the rotor imbalances and to suppress the harmonic vibrations, two control methods are presented. Firstly, a four degrees-of-freedom AMB-rotor model with the static imbalance, dynamic imbalance, and the sensor runout are described. Next, a synchronous current reduction approach with a variable-phase notch feedback is proposed, so that the rotor imbalances can be identified on-line through the analysis of the synchronous displacement relationships of the geometric, inertial, and rotational axes of the rotor. Then, the identified rotor imbalances, which can be represented at two prescribed balancing planes of the rotor, are compensated by discrete add-on weights whose masses are calculated in the vector form. Finally, a repetitive control algorithm is utilized to suppress the residual harmonic vibrations. The proposed field balancing and harmonic vibration suppression strategies are verified by simulations and experiments performed on a control moment gyro test rig with a rigid AMB-rotor system. Compared with existing methods, the proposed strategies do not require trial weights or an accurate model of the AMB-rotor system. Moreover, the harmonic displacements, currents, and vibrations can be well-attenuated simultaneously. PMID:26334281

Sweeping shunted electro-magnetic tuneable vibration absorber: Design and implementation

NASA Astrophysics Data System (ADS)

Turco, E.; Gardonio, P.

2017-10-01

This paper presents a study on the design and implementation of a time-varying shunted electro-magnetic Tuneable Vibration Absorber for broad-band vibration control of thin structures. A time-varying RL-shunt is used to harmonically vary the stiffness and damping properties of the Tuneable Vibration Absorber so that its mechanical fundamental natural frequency is continuously swept in a given broad frequency band whereas its mechanical damping is continuously adapted to maximize the vibration absorption from the hosting structure where it is mounted. The paper first recalls the tuning and positioning criteria for the case where a classical Tuneable Vibration Absorber is installed on a thin walled cylindrical structure to reduce the response of a resonating flexural mode. It then discusses the design of the time-varying shunt circuit to produce the desired stiffness and damping variations in the electro-magnetic Tuneable Vibration Absorber. Finally, it presents a numerical study on the flexural vibration and interior sound control effects produced when an array of these shunted electro-magnetic Tuneable Vibration Absorbers are mounted on a thin walled cylinder subject to a rain-on-the-roof stochastic excitation. The study shows that the array of proposed systems effectively controls the cylinder flexural response and interior noise over a broad frequency band without need of tuning and thus system identification of the structure. Therefore, the systems can be successfully used also on structures whose physical properties vary in time because of temperature changes or tensioning effects for example.

Design and numerical simulation of novel giant magnetostrictive ultrasonic transducer

NASA Astrophysics Data System (ADS)

Li, Pengyang; Liu, Qiang; Li, Shujuan; Wang, Quandai; Zhang, Dongya; Li, Yan

This paper provides a design method of a novel giant magnetostrictive ultrasonic transducer utilized in incremental sheet metal forming. The frequency equations of the ultrasonic vibrator were deduced and the corresponding correctness verified by the modal and harmonic response characteristic through the finite element method (FEM) and ANSYS software. In addition, the magnetic field of the vibrator system was designed and verified by the ANSYS. Finally, the frequency tests based on the impedance response analysis and the amplitude measurements based on the laser displacement sensor were performed on the prototype. The results confirmed the appropriate design of this transducer, setting the foundation for a low mechanical quality factor and satisfying amplitude.

Adaptation of a modern medium helicopter (Sikorsky S-76) to higher harmonic control

NASA Technical Reports Server (NTRS)

Oleary, J. J.; Kottapalli, S. B. R.; Davis, M. W.

1985-01-01

Sikorsky Aircraft has performed analytical studies, design analyses, and risk reduction tests have been performed for Higher Harmonic Control (HHC) on the S-76. The S-76 is an 8 to 10,000 lb helicopter which cruises at 145 kts. Flight test hardware has been assembled, main servo frequency response tested and upgraded, aircraft control system shake tested and verified, open loop controllers designed and fabricated, closed loop controllers defined and evaluated, and rotors turning ground and flight tests planned for the near future. Open loop analysis shows that about 2 deg of higher harmonic feathering at the blade 75% radius will be required to eliminate 4P vibration in the cockpit.

Molecular structure, vibrational spectra, AIM, HOMO-LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree-Fock and density functional theory

NASA Astrophysics Data System (ADS)

Issaoui, Noureddine; Ghalla, Houcine; Muthu, S.; Flakus, H. T.; Oujia, Brahim

2015-02-01

In this work, the molecular structure, harmonic vibrational frequencies, UV, NBO and AIM of 3-thiophenecarboxilic acid (abbreviated as 3-TCA) monomer and dimer has been investigated. The FT-IR and FT-Raman spectra were recorded. The ground-state molecular geometry and vibrational frequencies have been calculated by using the Hartree-Fock (HF) and density functional theory (DFT)/B3LYP methods and 6-311++G(d,p) as a basis set. The fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with VEDA program. Comparison of the observed fundamental vibrational frequencies of 3-TCA with calculated results by HF and DFT methods indicates that B3LYP is better to HF method for molecular vibrational problems. The difference between the observed and scaled wavenumber values is very small. The theoretically predicted FT-IR and FT-Raman spectra of the title compound have been constructed. A study on the Mulliken atomic charges, the electronic properties were performed by time-dependent DFT (TD-DFT) approach, frontier molecular orbitals (HOMO-LUMO), molecular electrostatic potential (MEP) and thermodynamic properties have been performed. The electric dipole moment (μ) and the first hyperpolarizability (β) values of the investigated molecule have been also computed.

Molecular structure, vibrational spectra, AIM, HOMO-LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree-Fock and density functional theory.

PubMed

Issaoui, Noureddine; Ghalla, Houcine; Muthu, S; Flakus, H T; Oujia, Brahim

2015-02-05

In this work, the molecular structure, harmonic vibrational frequencies, UV, NBO and AIM of 3-thiophenecarboxilic acid (abbreviated as 3-TCA) monomer and dimer has been investigated. The FT-IR and FT-Raman spectra were recorded. The ground-state molecular geometry and vibrational frequencies have been calculated by using the Hartree-Fock (HF) and density functional theory (DFT)/B3LYP methods and 6-311++G(d,p) as a basis set. The fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with VEDA program. Comparison of the observed fundamental vibrational frequencies of 3-TCA with calculated results by HF and DFT methods indicates that B3LYP is better to HF method for molecular vibrational problems. The difference between the observed and scaled wavenumber values is very small. The theoretically predicted FT-IR and FT-Raman spectra of the title compound have been constructed. A study on the Mulliken atomic charges, the electronic properties were performed by time-dependent DFT (TD-DFT) approach, frontier molecular orbitals (HOMO-LUMO), molecular electrostatic potential (MEP) and thermodynamic properties have been performed. The electric dipole moment (μ) and the first hyperpolarizability (β) values of the investigated molecule have been also computed. Copyright © 2014 Elsevier B.V. All rights reserved.

The Multisensory Sound Lab: Sounds You Can See and Feel.

ERIC Educational Resources Information Center

Lederman, Norman; Hendricks, Paula

1994-01-01

A multisensory sound lab has been developed at the Model Secondary School for the Deaf (District of Columbia). A special floor allows vibrations to be felt, and a spectrum analyzer displays frequencies and harmonics visually. The lab is used for science education, auditory training, speech therapy, music and dance instruction, and relaxation…

Charge transfer interactions and nonlinear optical properties of push pull chromophore benzaldehyde phenylhydrazone: A vibrational approach

NASA Astrophysics Data System (ADS)

Ravikumar, C.; Joe, I. Hubert; Jayakumar, V. S.

2008-07-01

FT Raman and IR spectra of the crystallized nonlinear optic (NLO) molecule, benzaldehyde phenylhydrazone (BPH) have been recorded and analyzed. The equilibrium geometry, bonding features and harmonic vibrational frequencies of BPH have been investigated with the help of B3LYP density functional theory (DFT) method. 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). From the optimized geometry, the decrease in C-N bond length indicates the electron delocalization over the region of the molecule. The vibrational analysis confirm the charge transfer interaction between the phenyl rings through ≻Cdbnd N-N≺ skeleton.

DFT and experimental studies of the structure and vibrational spectra of curcumin

NASA Astrophysics Data System (ADS)

Kolev, Tsonko M.; Velcheva, Evelina A.; Stamboliyska, Bistra A.; Spiteller, Michael

The potential energy surface of curcumin [1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione] was explored with the DFT correlation functional B3LYP method using 6-311G* basis. The single-point calculations were performed at levels up to B3LYP/6-311++G**//B3LYP/6-311G*. All isomers were located and relative energies determined. According to the calculation the planar enol form is more stable than the nonplanar diketo form. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. In addition, harmonic vibrational frequencies of the molecule were evaluated theoretically using B3LYP density functional methods. The computed vibrational frequencies were used to determine the types of molecular motions associated with each of the experimental bands observed. Our vibrational data show that in both the solid state and in all studied solutions curcumin exists in the enol form.

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

NASA Astrophysics Data System (ADS)

Krasnoshchekov, Sergey V.; Schutski, Roman S.; Craig, Norman C.; Sibaev, Marat; Crittenden, Deborah L.

2018-02-01

Three dihalogenated methane derivatives (CH2F2, CH2FCl, and CH2Cl2) were used as model systems to compare and assess the accuracy of two different approaches for predicting observed fundamental frequencies: canonical operator Van Vleck vibrational perturbation theory (CVPT) and vibrational configuration interaction (VCI). For convenience and consistency, both methods employ the Watson Hamiltonian in rectilinear normal coordinates, expanding the potential energy surface (PES) as a Taylor series about equilibrium and constructing the wavefunction from a harmonic oscillator product basis. At the highest levels of theory considered here, fourth-order CVPT and VCI in a harmonic oscillator basis with up to 10 quanta of vibrational excitation in conjunction with a 4-mode representation sextic force field (SFF-4MR) computed at MP2/cc-pVTZ with replacement CCSD(T)/aug-cc-pVQZ harmonic force constants, the agreement between computed fundamentals is closer to 0.3 cm-1 on average, with a maximum difference of 1.7 cm-1. The major remaining accuracy-limiting factors are the accuracy of the underlying electronic structure model, followed by the incompleteness of the PES expansion. Nonetheless, computed and experimental fundamentals agree to within 5 cm-1, with an average difference of 2 cm-1, confirming the utility and accuracy of both theoretical models. One exception to this rule is the formally IR-inactive but weakly allowed through Coriolis-coupling H-C-H out-of-plane twisting mode of dichloromethane, whose spectrum we therefore revisit and reassign. We also investigate convergence with respect to order of CVPT, VCI excitation level, and order of PES expansion, concluding that premature truncation substantially decreases accuracy, although VCI(6)/SFF-4MR results are still of acceptable accuracy, and some error cancellation is observed with CVPT2 using a quartic force field.

Ab initio study of the chlorine nitrate protonation reaction - Implications for loss of ClONO2 in the stratosphere

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rice, Julia E.

1993-01-01

Ab initio quantum mechanical methods, including coupled-cluster theory, are used to determine the equilibrium geometries, dipole moments, and harmonic vibrational frequencies of ClONO2, NO2(+), and four isomers of protonated ClONO2. It was found that, for the equilibrium structures and harmonic frequencies of ClONO2, HOCl, and NO2(+), the highest-level theoretical predictions are consistent with the available experimental information concerning the reactions of ClONO2 and HOCl with HCl on the surface of polar stratospheric clouds (PSCs). The study supports a recent hypothesis that the reaction of ClONO2 on the surface of PSCs is proton catalyzed, although the mechanism is different.

Generation of longitudinal vibrations in piano strings: From physics to sound synthesis

NASA Astrophysics Data System (ADS)

Bank, Balázs; Sujbert, László

2005-04-01

Longitudinal vibration of piano strings greatly contributes to the distinctive character of low piano notes. In this paper a simplified modal model is developed, which describes the generation of phantom partials and longitudinal free modes jointly. The model is based on the simplification that the coupling from the transverse vibration to the longitudinal polarization is unidirectional. The modal formulation makes it possible to predict the prominent components of longitudinal vibration as a function of transverse modal frequencies. This provides a qualitative insight into the generation of longitudinal vibration, while the model is still capable of explaining the empirical results of earlier works. The semi-quantitative agreement with measurement results implies that the main source of phantom partials is the transverse to longitudinal coupling, while the string termination and the longitudinal to transverse coupling have only small influence. The results suggest that the longitudinal component of the tone can be treated as a quasi-harmonic spectrum with formantlike peaks at the longitudinal modal frequencies. The model is further simplified and applied for the real-time synthesis of piano sound with convincing sonic results. .

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

PubMed

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

2007-06-14

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

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

NASA Astrophysics Data System (ADS)

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

2007-06-01

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

Free and forced vibrations of an eccentrically rotating string on a viscoelastic foundation

NASA Astrophysics Data System (ADS)

Soedel, S. M.; Soedel, W.

1989-12-01

Equations of motion of an eccentrically rotating cord on a viscoelastic foundation, derived by way of Hamilton's principle, are solved for free and forced vibrations. The natural frequencies during rotation are bifurcations of the stationary string values. The natural modes are complex and can be interpreted as mode pairs spinning with and against the string rotation. The general forced solution is expanded in terms of these complex modes. Results are given for an example of steady state harmonic response because of its practical significance to aircraft or automobile tire design.

A High-Order, Time Invariant, Linearized Model for Application to HHCIAFCS Interaction Studies

NASA Technical Reports Server (NTRS)

Cheng, Rendy P.; Tischler, Mark B.; Celi, Roberto

2003-01-01

This paper describes a methodology for the extraction of a linear time invariant model from a nonlinear helicopter model, and followed by an examination of the interactions of the Higher Harmonic Control (HHC) and the Automatic Flight Control System (AFCS). This new method includes an embedded harmonic analyzer inside a linear time invariant model, which allows the periodicity of the helicopter response to be captured. The: coupled high-order model provides the needed level of dynamic fidelity to permit an analysis and optimization of the AFCS and HHC loops. Results of this study indicate that the closed-loop HHC system has little influence on the AFCS or on the vehicle handling qualities, which indicates that the AFCS does not need modification to work with the HHC system. The results also show that the vibration response to maneuvers must be considered during the HHC design process, which leads to much higher required HHC loop crossover frequencies. This research also demonstrates that the transient vibration response during maneuvers can be reduced by optimizing the closed-loop higher harmonic control laws using conventional control system analyses.

Physics-based analysis and control of human snoring

NASA Astrophysics Data System (ADS)

Sanchez, Yaselly; Wang, Junshi; Han, Pan; Xi, Jinxiang; Dong, Haibo

2017-11-01

In order to advance the understanding of biological fluid dynamics and its effects on the acoustics of human snoring, the study pursued a physics-based computational approach. From human magnetic resonance image (MRI) scans, the researchers were able to develop both anatomically and dynamically accurate airway-uvula models. With airways defined as rigid, and the uvula defined as flexible, computational models were created with various pharynx thickness and geometries. In order to determine vortex shedding with prescribed uvula movement, the uvula fluctuation was categorized by its specific parameters: magnitude, frequency, and phase lag. Uvula vibration modes were based on one oscillation, or one harmonic frequency, and pressure probes were located in seven different positions throughout the airway-uvula model. By taking fast Fourier transforms (FFT) from the pressure probe data, it was seen that four harmonics were created throughout the simulation within one oscillation of uvula movement. Of the four harmonics, there were two pressure probes which maintained high amplitudes and led the researcher to believe that different vortices formed with different snoring frequencies. This work is supported by the NSF Grant CBET-1605434.

Generations of even-order harmonics from vibrating H2+ and T2+ in the rising and falling parts of the laser field

NASA Astrophysics Data System (ADS)

Feng, Liqiang; Kapteyn, Henry J.; Feng, April Y.

2018-04-01

The generations of the even-order harmonics from H2+ and one of its isotope T2+ have been theoretically investigated beyond the Born-Oppenheimer approximation. Normally, the high-order harmonic generation (HHG) only contains odd-order harmonics for the orbital symmetry along the direction of laser polarization. Here, we showed that due to asymmetric harmonic emission (asymmetric half-wave profile), the even-order harmonics can be generated in the rising and the falling part of the laser field. In detail, in the lower initial vibrational state, the even-order harmonics main come from the falling part of the laser field; while as the initial vibrational state increases, the identified even-order harmonics in the falling part of the laser field are decreased; while some other even-order harmonics coming from the rising part of the laser field can be produced. The interesting phenomena have been proved through studying the spatial distributions and the time profiles of the HHG.

A High-Order, Linear Time-Invariant Model for Application to Higher Harmonic Control and Flight Control System Interaction

NASA Technical Reports Server (NTRS)

Cheng, Rendy P.; Tischler, Mark B.; Celi, Roberto

2006-01-01

This research describes a new methodology for the extraction of a high-order, linear time invariant model, which allows the periodicity of the helicopter response to be accurately captured. This model provides the needed level of dynamic fidelity to permit an analysis and optimization of the AFCS and HHC algorithms. The key results of this study indicate that the closed-loop HHC system has little influence on the AFCS or on the vehicle handling qualities, which indicates that the AFCS does not need modification to work with the HHC system. However, the results show that the vibration response to maneuvers must be considered during the HHC design process, and this leads to much higher required HHC loop crossover frequencies. This research also demonstrates that the transient vibration responses during maneuvers can be reduced by optimizing the closed-loop higher harmonic control algorithm using conventional control system analyses.

Elastic effects on vibration of bilayer graphene sheets incorporating integrated VdWs interactions

NASA Astrophysics Data System (ADS)

Kamali, Kamran; Nazemnezhad, Reza; Zare, Mojtaba

2018-03-01

The following study addresses the free vibration analysis of a bilayer graphene sheet (BLGS) embedded in an elastic medium in the presence of shear and tensile-compressive effects of van der Waals (vdWs) interactions. To ascertain the contribution of each force, the effects are considered separately and simultaneously. To model the geometry of the BLGS, the sandwich plate theory and the Hamilton’s principle are considered to derive the governing equations of motion. The Harmonic differential quadrature method is applied to solve the coupled equations and obtain the natural frequencies and related mode shapes. The results reveal that the contribution of tensile-compressive modulus of elastic medium is the most in changing the frequency of BLGSs.

Energy dissipation in fragmented geomaterials associated with impacting oscillators

NASA Astrophysics Data System (ADS)

Khudyakov, Maxim; Pasternak, Elena; Dyskin, Arcady

2016-04-01

In wave propagation through fragmented geomaterials forced by periodic loadings, the elements (fragments) strike against each other when passing through the neutral position (position with zero mutual rotation), quickly damping the oscillations. Essentially the impacts act as shock absorbers albeit localised at the neutral points. In order to analyse the vibrations of and wave propagation in such structures, a differential equation of a forced harmonic oscillator was investigated, where the each time the system passes through the neutral point the velocity gets reduced by multiplying it with the restitution coefficient which characterise the impact of the fragments. In forced vibrations the impact times depend on both the forced oscillations and the restitution coefficient and form an irregular sequence. Numerical solution of the differential equation was performed using Mathematica software. Along with vibration diagrams, the dependence of the energy dissipation on the ratio of the forcing frequency to the natural frequency was obtained. For small positive values of the restitution coefficient (less than 0.5), the asymmetric oscillations were found, and the phase of the forced vibrations determined the direction of the asymmetry. Also, at some values of the forcing frequencies and the restitution coefficient chaotic behaviour was found.

Cantico Delle Creature: A microtonal original composition for soprano and string quartet to a text by St. Francis of Assisi, including analytical commentary

NASA Astrophysics Data System (ADS)

Sabol, Jason A.

Cantico delle Creature is an original piece of music for soprano and string quartet composed in 72 tone per octave equal temperament, dividing each semitone into six equal parts called twelfth-tones. This system of tuning makes it possible to combine just intonation and spectral principles based on the harmonic series with real imitation, modulation, and polyphony. Supplemental text discusses several aspects of microtonal structure and pedagogy, including the representation of the first 64 partials of the harmonic series in 72 tone equal temperament, performance of natural string harmonics, the relationship between interval size and vibration ratio, pitch to frequency conversion, and analysis of several passages in the musical score.

Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

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

Menikoff, Ralph

2014-09-02

A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

Enhancement of the dynamic Casimir effect within a metal photonic crystal

NASA Astrophysics Data System (ADS)

Ueta, Tsuyoshi

2013-05-01

If the counterposed metal plates are vibrated, when the gap between the plates becomes narrow, the energy of stationary states between the plates increases, and when it spreads, the energy decreases. Light with the energy for this energy difference arises. This is called dynamical Casimir effect. The author has so far investigated the interaction between lattice vibration and light in a one-dimensional metal photonic crystal whose stacked components are artificially vibrated by using actuators. A simple model was numerically analyzed, and the following novel phenomena were found out. The lattice vibration generates the light of frequency which added the integral multiple of the vibration frequency to that of the incident wave and also amplifies the incident wave resonantly. On a resonance, the amplification factor increases very rapidly with the number of layers. Resonance frequencies change with the phases of lattice vibration. The amplification phenomenon was analytically discussed for low frequency of the lattice vibration and is confirmed by numerical works. The lattice-vibrating metal photonic crystal is a system of dynamical Casimir effect connected in series, and so we can expect that a dynamical Casimir effect is enhanced by the photonic band effect. In the present study, when an electromagnetic field between metal plates is in the ground state in a one-dimensional metal photonic crystal, the radiation of electromagnetic wave in excited states has been investigated by artificially introducing lattice vibration to the photonic crystal. In this case as well as a dynamical Casimir effect, it has been shown that the harmonics of a ground state are generated just by vibrating a photonic crystal even without an incident wave. The dependencies of the radiating power on the number of layers and on the wavenumber of the lattice vibration are remarkable. It has found that the radiation amplitude on lower excited states is not necessarily large and radiation on specific excited levels is large.

Fault diagnosis of rolling element bearings with a spectrum searching method

NASA Astrophysics Data System (ADS)

Li, Wei; Qiu, Mingquan; Zhu, Zhencai; Jiang, Fan; Zhou, Gongbo

2017-09-01

Rolling element bearing faults in rotating systems are observed as impulses in the vibration signals, which are usually buried in noise. In order to effectively detect faults in bearings, a novel spectrum searching method is proposed in this paper. The structural information of the spectrum (SIOS) on a predefined frequency grid is constructed through a searching algorithm, such that the harmonics of the impulses generated by faults can be clearly identified and analyzed. Local peaks of the spectrum are projected onto certain components of the frequency grid, and then the SIOS can interpret the spectrum via the number and power of harmonics projected onto components of the frequency grid. Finally, bearings can be diagnosed based on the SIOS by identifying its dominant or significant components. The mathematical formulation is developed to guarantee the correct construction of the SIOS through searching. The effectiveness of the proposed method is verified with both simulated and experimental bearing signals.

Measuring full-field displacement spectral components using photographs taken with a DSLR camera via an analogue Fourier integral

NASA Astrophysics Data System (ADS)

Javh, Jaka; Slavič, Janko; Boltežar, Miha

2018-02-01

Instantaneous full-field displacement fields can be measured using cameras. In fact, using high-speed cameras full-field spectral information up to a couple of kHz can be measured. The trouble is that high-speed cameras capable of measuring high-resolution fields-of-view at high frame rates prove to be very expensive (from tens to hundreds of thousands of euro per camera). This paper introduces a measurement set-up capable of measuring high-frequency vibrations using slow cameras such as DSLR, mirrorless and others. The high-frequency displacements are measured by harmonically blinking the lights at specified frequencies. This harmonic blinking of the lights modulates the intensity changes of the filmed scene and the camera-image acquisition makes the integration over time, thereby producing full-field Fourier coefficients of the filmed structure's displacements.

The Effects of the Menstrual Cycle on Vibratory Characteristics of the Vocal Folds Investigated With High-Speed Digital Imaging.

PubMed

Kunduk, Melda; Vansant, Mathew B; Ikuma, Takeshi; McWhorter, Andrew

2017-03-01

This study investigated the effect of menstrual cycle on vocal fold vibratory characteristics in young women using high-speed digital imaging. This study examined the menstrual phase effect on five objective high-speed imaging parameters and two self-rated perceptual parameters. The effects of oral birth control use were also investigated. Thirteen subjects with no prior voice complaints were included in this study. All data were collected at three different time periods (premenses, postmenses, ovulation) over the course of one menstrual cycle. For five of the 13 subjects, data were collected for two consecutive cycles. Six of 13 subjects were oral birth control users. From high-speed imaging data, five objective parameters were computed: fundamental frequency, fundamental frequency deviation, harmonics-to-noise ratio, harmonic richness factor, and ratio of first and second harmonics. They were supplemented by two self-rated parameters: Reflux Severity Index and perceptual voice quality rating. Analysis included mixed model linear analysis with repeated measures. Results indicated no significant main effects for menstrual phase, between-cycle, or birth control use in the analysis for mean fundamental frequency, fundamental frequency deviation, harmonics-to-noise ratio, harmonic richness factor, first and second harmonics, Reflux Severity Index, and perceptual voice quality rating. Additionally, there were no interaction effects. Hormone fluctuations observed across the menstrual cycle do not appear to have direct effect on vocal fold vibratory characteristics in young women with no voice concerns. Birth control use, on the other hand, may have influence on spectral richness of vocal fold vibration. Copyright © 2017 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

Digital hum filtering

USGS Publications Warehouse

Knapp, R.W.; Anderson, N.L.

1994-01-01

Data may be overprinted by a steady-state cyclical noise (hum). Steady-state indicates that the noise is invariant with time; its attributes, frequency, amplitude, and phase, do not change with time. Hum recorded on seismic data usually is powerline noise and associated higher harmonics; leakage from full-waveform rectified cathodic protection devices that contain the odd higher harmonics of powerline frequencies; or vibrational noise from mechanical devices. The fundamental frequency of powerline hum may be removed during data acquisition with the use of notch filters. Unfortunately, notch filters do not discriminate signal and noise, attenuating both. They also distort adjacent frequencies by phase shifting. Finally, they attenuate only the fundamental mode of the powerline noise; higher harmonics and frequencies other than that of powerlines are not removed. Digital notch filters, applied during processing, have many of the same problems as analog filters applied in the field. The method described here removes hum of a particular frequency. Hum attributes are measured by discrete Fourier analysis, and the hum is canceled from the data by subtraction. Errors are slight and the result of the presence of (random) noise in the window or asynchrony of the hum and data sampling. Error is minimized by increasing window size or by resampling to a finer interval. Errors affect the degree of hum attenuation, not the signal. The residual is steady-state hum of the same frequency. ?? 1994.

Occurrence of sub-synchronous vibration in a multistage turbine pump and its prevention

NASA Technical Reports Server (NTRS)

Kanai, Yanosuke; Saito, Shinobu

1994-01-01

It is because of the critical importance the prevention of vibration for high-load rotary machinery assumes in ensuring reliability of a plant as a whole that so many investigations and studies have been performed. A peculiar vibration encountered in a multistage turbine pump is presented and discussed. The pump was serving an active power plant in a part that was a veritable 'heart' of the entire plant, and the major vibration component was about 80 percent frequency of revolution. At first, the propagating stall was thought to be responsible, but the absence of higher harmonics made this presumption untenable. Or else, even though previous reports dealt with seemingly similar mechanical vibration troubles, they offer no clear diagnosis nor suggest simple remedial measures. It is for these reasons that the problem was investigated. Through fundamental tests and experiments, several insights into the nature of this anomalous vibration were gained, the fluid force that caused such a vibration was determined, and effective countermeasures were devised.

Controlling the carrier-envelope phase of Raman-generated periodic waveforms.

PubMed

Hsieh, Zhi-Ming; Lai, Chien-Jen; Chan, Han-Sung; Wu, Sih-Ying; Lee, Chao-Kuei; Chen, Wei-Jan; Pan, Ci-Ling; Yee, Fu-Goul; Kung, A H

2009-05-29

We demonstrate control of the carrier-envelope phase of ultrashort periodic waveforms that are synthesized from a Raman-generated optical frequency comb. We generated the comb by adiabatically driving a molecular vibrational coherence with a beam at a fundamental frequency plus its second harmonic. Heterodyne measurements show that full interpulse phase locking of the comb components is realized. The results set the stage for the synthesis of periodic arbitrary waveforms in the femtosecond and subfemtosecond regimes with full control.

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

PubMed

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

2011-11-01

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

Sound-structure interaction analysis of an infinite-long cylindrical shell submerged in a quarter water domain and subject to a line-distributed harmonic excitation

NASA Astrophysics Data System (ADS)

Guo, Wenjie; Li, Tianyun; Zhu, Xiang; Miao, Yuyue

2018-05-01

The sound-structure coupling problem of a cylindrical shell submerged in a quarter water domain is studied. A semi-analytical method based on the double wave reflection method and the Graf's addition theorem is proposed to solve the vibration and acoustic radiation of an infinite cylindrical shell excited by an axially uniform harmonic line force, in which the acoustic boundary conditions consist of a free surface and a vertical rigid surface. The influences of the complex acoustic boundary conditions on the vibration and acoustic radiation of the cylindrical shell are discussed. It is found that the complex acoustic boundary has crucial influence on the vibration of the cylindrical shell when the cylindrical shell approaches the boundary, and the influence tends to vanish when the distances between the cylindrical shell and the boundaries exceed certain values. However, the influence of the complex acoustic boundary on the far-field sound pressure of the cylindrical shell cannot be ignored. The far-field acoustic directivity of the cylindrical shell varies with the distances between the cylindrical shell and the boundaries, besides the driving frequency. The work provides more understanding on the vibration and acoustic radiation behaviors of cylindrical shells with complex acoustic boundary conditions.

Effect of Chlorine Substitution on Sulfide Reactivity with OH Radicals

DTIC Science & Technology

2008-09-01

Single point energy: MP2/6-311+G(3df,2p) (LRG) • Zero Point Energy from a vibrational frequency analysis: MP2/6-31++G** ( ZPE ) • Extrapolated energy...E(QCI) + E(LARG) – E(SML) + ZPE • Characterize the TS • Use a three-point fit methodology – fit a harmonic potential to three CCSD single point

Aeroelastic simulation of higher harmonic control

NASA Technical Reports Server (NTRS)

Robinson, Lawson H.; Friedmann, Peretz P.

1994-01-01

This report describes the development of an aeroelastic analysis of a helicopter rotor and its application to the simulation of helicopter vibration reduction through higher harmonic control (HHC). An improved finite-state, time-domain model of unsteady aerodynamics is developed to capture high frequency aerodynamic effects. An improved trim procedure is implemented which accounts for flap, lead-lag, and torsional deformations of the blade. The effect of unsteady aerodynamics is studied and it is found that its impact on blade aeroelastic stability and low frequency response is small, but it has a significant influence on rotor hub vibrations. Several different HHC algorithms are implemented on a hingeless rotor and their effectiveness in reducing hub vibratory shears is compared. All the controllers are found to be quite effective, but very differing HHC inputs are required depending on the aerodynamic model used. Effects of HHC on rotor stability and power requirements are found to be quite small. Simulations of roughly equivalent articulated and hingeless rotors are carried out, and it is found that hingeless rotors can require considerably larger HHC inputs to reduce vibratory shears. This implies that the practical implementation of HHC on hingeless rotors might be considerably more difficult than on articulated rotors.

Properties of natural frequencies and harmonic bending vibrations of a rod at one end of which is concentrated inertial load

NASA Astrophysics Data System (ADS)

Aliyev, Ziyatkhan S.; Guliyeva, Sevinc B.

2017-11-01

In this paper we consider a spectral problem that describes the bending vibrations of a homogeneous rod, in cross-sections of which the longitudinal force acts, the left end of which is fixed and on the right end an inertial mass is concentrated. We give a general characteristic of the location of the eigenvalues on the real axis, we study the structure of root spaces and oscillation properties of eigenfunctions, we investigate the basic properties in the space Lp, 1 < p < ∞, of the system of eigenfunctions of this problem.

Effects of vibration (G-jitters) on convection in micro-gravity

NASA Technical Reports Server (NTRS)

Wang, Francis C.

1994-01-01

To obtain high quality crystals, it is desirable to maintain a diffusion-limited transport process in a planar solidification surface between the solid and the melt during the crystal growth process. Due to the presence of buoyancy-driven convection, however, this situation is difficult to maintain on Earth. The microgravity environment of an orbiting space laboratory presents an alternative worth pursuing. With reduced gravity, convections very much suppressed in a space laboratory, making the environment more conducive for growing crystals with better quality. However, a space laboratory is not immune from any undesirable disturbances. Nonuniform and transient accelerations such as vibrations, g-jitters, and impulsive accelerations exist as a result of crew activities, space maneuvering, and the operations of on-board equipment. Measurements conducted on-board a U.S. Spacelab mission showed the existence of vibrations in the frequency range of 1 to 100 Hz. It was reported that a dominant mode of 17 Hz and harmonics of 54 Hz were observed and these were attributed to antenna operations. The vibration is not limited to any single plane but exists in all directions. Some data from the Russian MIR space station indicates the existence of vibration also at this frequency range.

Rapid Aeroelastic Analysis of Blade Flutter in Turbomachines

NASA Technical Reports Server (NTRS)

Trudell, J. J.; Mehmed, O.; Stefko, G. L.; Bakhle, M. A.; Reddy, T. S. R.; Montgomery, M.; Verdon, J.

2006-01-01

The LINFLUX-AE computer code predicts flutter and forced responses of blades and vanes in turbomachines under subsonic, transonic, and supersonic flow conditions. The code solves the Euler equations of unsteady flow in a blade passage under the assumption that the blades vibrate harmonically at small amplitudes. The steady-state nonlinear Euler equations are solved by a separate program, then equations for unsteady flow components are obtained through linearization around the steady-state solution. A structural-dynamics analysis (see figure) is performed to determine the frequencies and mode shapes of blade vibrations, a preprocessor interpolates mode shapes from the structural-dynamics mesh onto the LINFLUX computational-fluid-dynamics mesh, and an interface code is used to convert the steady-state flow solution to a form required by LINFLUX. Then LINFLUX solves the linearized equations in the frequency domain to calculate the unsteady aerodynamic pressure distribution for a given vibration mode, frequency, and interblade phase angle. A post-processor uses the unsteady pressures to calculate generalized aerodynamic forces, response amplitudes, and eigenvalues (which determine the flutter frequency and damping). In comparison with the TURBO-AE aeroelastic-analysis code, which solves the equations in the time domain, LINFLUX-AE is 6 to 7 times faster.

Raman spectral evidence of methyl rotation in liquid toluene.

PubMed

Kapitán, Josef; Hecht, Lutz; Bour, Petr

2008-02-21

In order to rationalize subtle details in the liquid phase toluene Raman backscattering spectra, an analysis was performed based on a quantum-mechanical Hamiltonian operator comprising rotation of the methyl group and the angular dependence of vibrational frequencies and polarizability derivatives. The separation of the methyl torsion from the other vibrational motions appears to be necessary in order to explain relative intensity ratios of several bands and an anomalous broadening of spectral intensity observed at 1440 cm(-1). These results suggest that the CH3 group in the liquid phase rotates almost freely, similarly as in the gaseous phase, and that the molecule consequently exhibits effectively C(2v) point group symmetry. A classical description and an adiabatic separation of the methyl rotation from other molecular motion previously used in peptide models is not applicable to toluene because of a strong coupling with other vibrational motions. Density functional computations, particularly the BPW91 functional, provide reasonable estimates of harmonic frequencies and spectral intensities, as well as qualitatively correct fourth-order anharmonic corrections to the vibrational potential.

Conformational, structural, vibrational and quantum chemical analysis on 4-aminobenzohydrazide and 4-hydroxybenzohydrazide--a comparative study.

PubMed

Arjunan, V; Jayaprakash, A; Carthigayan, K; Periandy, S; Mohan, S

2013-05-01

Experimental and theoretical quantum chemical studies were carried out on 4-hydroxybenzohydrazide (4HBH) and 4-aminobenzohydrazide (4ABH) using FTIR and FT-Raman spectral data. The structural characteristics and vibrational spectroscopic analysis were carried performed by quantum chemical methods with the hybrid exchange-correlation functional B3LYP using 6-31G(**), 6-311++G(**) and aug-cc-pVDZ basis sets. The most stable conformer of the title compounds have been determined from the analysis of potential energy surface. The stable molecular geometries, electronic and thermodynamic parameters, IR intensities, harmonic vibrational frequencies, depolarisation ratio and Raman intensities have been computed. Molecular electrostatic potential and frontier molecular orbitals were constructed to understand the electronic properties. The potential energy distributions (PEDs) were calculated to explain the mixing of fundamental modes. The theoretical geometrical parameters and the fundamental frequencies were compared with the experimental. The interactions of hydroxy and amino group substitutions on the characteristic vibrations of the ring and hydrazide group have been analysed. Copyright © 2013 Elsevier B.V. All rights reserved.

Ab initio and DFT studies of the structure and vibrational spectra of anhydrous caffeine

NASA Astrophysics Data System (ADS)

Srivastava, Santosh K.; Singh, Vipin B.

2013-11-01

Vibrational spectra and molecular structure of anhydrous caffeine have been systematically investigated by second order Moller-Plesset (MP2) perturbation theory and density functional theory (DFT) calculations. Vibrational assignments have been made and many previous ambiguous assignments in IR and Raman spectra are amended. The calculated DFT frequencies and intensities at B3LYP/6-311++G(2d,2p) level, were found to be in better agreement with the experimental values. It was found that DFT with B3LYP functional predicts harmonic vibrational wave numbers more close to experimentally observed value when it was performed on MP2 optimized geometry rather than DFT geometry. The calculated TD-DFT vertical excitation electronic energies of the valence excited states of anhydrous caffeine are found to be in consonance to the experimental absorption peaks.

Effect of Split or Partial Electrodes on the Forced Vibrations of Bar-Type Piezoceramic Transducers

NASA Astrophysics Data System (ADS)

Karlash, V. L.

2016-09-01

The effect of a nonuniform electric load on the admittance and dynamic electromechanical coupling coefficient (EMCC) of energy converters is analyzed using, as examples, well-known problems of the forced vibrations of narrow piezoceramic plates with partial or split electrodes. It is shown that the antiphase excitation of vibrations can be effective to extract harmonics and to increase the operating frequencies of resonators. The presence of unelectroded sections can result in some increase in the EMCCof the principal resonance. If some electrodes are short-circuited, then odd and even longitudinal modes can be excited, which are absent when the electrodes are not split. The calculation of the stress state and admittance is in good agreement with experiments

Modeling Stretching Modes of Common Organic Molecules with the Quantum Mechanical Harmonic Oscillator: An Undergraduate Vibrational Spectroscopy Laboratory Exercise

ERIC Educational Resources Information Center

Parnis, J. Mark; Thompson, Matthew G. K.

2004-01-01

An introductory undergraduate physical organic chemistry exercise that introduces the harmonic oscillator's use in vibrational spectroscopy is developed. The analysis and modeling exercise begins with the students calculating the stretching modes of common organic molecules with the help of the quantum mechanical harmonic oscillator (QMHO) model.

Observation of coherent optical phonons excited by femtosecond laser radiation in Sb films by ultrafast electron diffraction method

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

Mironov, B. N.; Kompanets, V. O.; Aseev, S. A., E-mail: isanfemto@yandex.ru

2017-03-15

The generation of coherent optical phonons in a polycrystalline antimony film sample has been investigated using femtosecond electron diffraction method. Phonon vibrations have been induced in the Sb sample by the main harmonic of a femtosecond Ti:Sa laser (λ = 800 nm) and probed by a pulsed ultrashort photoelectron beam synchronized with the pump laser. The diffraction patterns recorded at different times relative to the pump laser pulse display oscillations of electron diffraction intensity corresponding to the frequencies of vibrations of optical phonons: totally symmetric (A{sub 1g}) and twofold degenerate (E{sub g}) phonon modes. The frequencies that correspond to combinationsmore » of these phonon modes in the Sb sample have also been experimentally observed.« less

An improved biomechanical model for simulating the strain of the hand-arm system under vibration stress.

PubMed

Fritz, M

1991-01-01

In order to define relationships between the vibration stress and the strain of the human hand-arm system a biomechanical model was developed. The four masses of the model representing the hand, the forearm and the upper arm were connected by dampers and springs in two perpendicular directions. Simulating muscle activity, damped torsion springs were included additionally. The motions of the model were described by a differential matrix equation which was solved by using a 'transfer matrix routine' as well as by numerical integration. Thus, functions with harmonic or transient time courses could be selected as an excitation. The simulated vibrations were compared with those of other hand-arm models. The forces and torques transmitted between the masses, and the energy dissipated by the dampers were computed for several combinations of exciter frequencies and accelerations. The dependence of torques upon excitation agreed fairly well with the behaviour of the arm muscles under vibration as described by various investigators. At frequencies above 100 Hz the energy was dissipated mainly by the dampers between the masses near to the exciter. Transferring this result to the hand-arm system it shows that at high frequencies energy is dissipated by the hand and its palmar tissues and this might be one cause for the incidence of vibration-induced white finger disease.

An efficient formulation of Krylov's prediction model for train induced vibrations based on the dynamic reciprocity theorem.

PubMed

Degrande, G; Lombaert, G

2001-09-01

In Krylov's analytical prediction model, the free field vibration response during the passage of a train is written as the superposition of the effect of all sleeper forces, using Lamb's approximate solution for the Green's function of a halfspace. When this formulation is extended with the Green's functions of a layered soil, considerable computational effort is required if these Green's functions are needed in a wide range of source-receiver distances and frequencies. It is demonstrated in this paper how the free field response can alternatively be computed, using the dynamic reciprocity theorem, applied to moving loads. The formulation is based on the response of the soil due to the moving load distribution for a single axle load. The equations are written in the wave-number-frequency domain, accounting for the invariance of the geometry in the direction of the track. The approach allows for a very efficient calculation of the free field vibration response, distinguishing the quasistatic contribution from the effect of the sleeper passage frequency and its higher harmonics. The methodology is validated by means of in situ vibration measurements during the passage of a Thalys high-speed train on the track between Brussels and Paris. It is shown that the model has good predictive capabilities in the near field at low and high frequencies, but underestimates the response in the midfrequency band.

Experimental investigation of the dynamic installation of a slip joint connection between the monopile and tower of an offshore wind turbine

NASA Astrophysics Data System (ADS)

Segeren, M. L. A.; Hermans, K. W.

2014-06-01

The failure of the traditional grouted connections of offshore wind turbines has led to the investigation of alternatives that provide a connection between the foundation pile and the turbine tower. An alternative to the traditional joint is a steel-to-steel connection also called a slip joint. To ensure a proper fit of the slip joint a dynamic installation of the joint is proposed. In this contribution, the effectiveness of harmonic excitation as an installation procedure is experimentally investigated using a 1:10 scaled model of the joint. During the dynamic installation test the applied static load, settlements and dynamic response of the joint are monitored using respectively load cells, taut wires and strain gauges placed both inside and outside the conical surfaces. The results show that settlement occurs only when applying a harmonic load at specific forcing frequencies. The settlement stabilizes to a certain level for each of the specific frequencies, indicating that a controlled way of installation is possible. The results show that it is essential to vibrate at specific frequencies and that a larger amplitude of the harmonic force does not automatically lead to additional settlement.

Application of higher harmonic blade feathering on the OH-6A helicopter for vibration reduction

NASA Technical Reports Server (NTRS)

Straub, F. K.; Byrns, E. V., Jr.

1986-01-01

The design, implementation, and flight test results of higher harmonic blade feathering for vibration reduction on the OH-6A helicopter are described. The higher harmonic control (HHC) system superimposes fourth harmonic inputs upon the stationary swashplate. These inputs are transformed into 3P, 4P and 5P blade feathering angles. This results in modified blade loads and reduced fuselage vibrations. The primary elements of this adaptive vibration suppression system are: (1) acceleration transducers sensing the vibratory response of the fuselage; (2) a higher harmonic blade pitch actuator system; (3) a flightworthy microcomputer, incorporating the algorithm for reducing vibrations, and (4) a signal conditioning system, interfacing between the sensors, the microcomputer and the HHC actuators. The program consisted of three distinct phases. First, the HHC system was designed and implemented on the MDHC OH-6A helicopter. Then, the open loop, or manual controlled, flight tests were performed, and finally, the closed loop adaptive control system was tested. In 1983, one portion of the closed loop testing was performed, and in 1984, additional closed loop tests were conducted with improved software. With the HHC system engaged, the 4P pilot seat vibration levels were significantly lower than the baseline ON-6A levels. Moreover, the system did not adversely affect blade loads or helicopter performance. In conclusion, this successful proof of concept project demonstrated HHC to be a viable vibration suppression mechanism.

Comprehensive dynamic analysis of a bladed disk-turborotor-bearing system

NASA Astrophysics Data System (ADS)

Kaushal, Ashok

The dynamic behavior of a bladed disk-turborotor-bearing system is studied employing analytical, numerical, and experimental methods. The system consists of several subsystems such as turbine disk, blades, bearings, support pedestals etc. In order to completely understand the dynamic behavior of the turborotor system an appropriate model for each individual component of the system is first developed. The individual components are modeled to include various design parameters and the effect of these parameters on the vibrational behavior is studied. The vibration studies on the individual components are carried out using Rayleigh-Ritz method boundary characteristic orthogonal polynomials as assumed shape functions. The individual components are then assembled using the finite element technique. The turborotor system is studied from a system point of view and the natural frequencies and mode shapes are obtained for various rotational speeds. The results show that the natural frequencies of the system are different from those obtained by analyzing individual components, suggesting that a system approach must be adopted for proper design of a turborotor system. The amplitude of vibration and stresses due to harmonic and centrifugal loading on the blades and the disk are also obtained. The results indicate that for the turborotor speed of operation, the centrifugal loading is the major factor in determining the critical stresses in comparison to the gas forces on the blade modeled as harmonic loading. Experimental validation of the analytical model is carried out and suggestions for future work are given.

A novel vibration-based fault diagnostic algorithm for gearboxes under speed fluctuations without rotational speed measurement

NASA Astrophysics Data System (ADS)

Hong, Liu; Qu, Yongzhi; Dhupia, Jaspreet Singh; Sheng, Shuangwen; Tan, Yuegang; Zhou, Zude

2017-09-01

The localized failures of gears introduce cyclic-transient impulses in the measured gearbox vibration signals. These impulses are usually identified from the sidebands around gear-mesh harmonics through the spectral analysis of cyclo-stationary signals. However, in practice, several high-powered applications of gearboxes like wind turbines are intrinsically characterized by nonstationary processes that blur the measured vibration spectra of a gearbox and deteriorate the efficacy of spectral diagnostic methods. Although order-tracking techniques have been proposed to improve the performance of spectral diagnosis for nonstationary signals measured in such applications, the required hardware for the measurement of rotational speed of these machines is often unavailable in industrial settings. Moreover, existing tacho-less order-tracking approaches are usually limited by the high time-frequency resolution requirement, which is a prerequisite for the precise estimation of the instantaneous frequency. To address such issues, a novel fault-signature enhancement algorithm is proposed that can alleviate the spectral smearing without the need of rotational speed measurement. This proposed tacho-less diagnostic technique resamples the measured acceleration signal of the gearbox based on the optimal warping path evaluated from the fast dynamic time-warping algorithm, which aligns a filtered shaft rotational harmonic signal with respect to a reference signal assuming a constant shaft rotational speed estimated from the approximation of operational speed. The effectiveness of this method is validated using both simulated signals from a fixed-axis gear pair under nonstationary conditions and experimental measurements from a 750-kW planetary wind turbine gearbox on a dynamometer test rig. The results demonstrate that the proposed algorithm can identify fault information from typical gearbox vibration measurements carried out in a resource-constrained industrial environment.

A novel vibration-based fault diagnostic algorithm for gearboxes under speed fluctuations without rotational speed measurement

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

Hong, Liu; Qu, Yongzhi; Dhupia, Jaspreet Singh

The localized failures of gears introduce cyclic-transient impulses in the measured gearbox vibration signals. These impulses are usually identified from the sidebands around gear-mesh harmonics through the spectral analysis of cyclo-stationary signals. However, in practice, several high-powered applications of gearboxes like wind turbines are intrinsically characterized by nonstationary processes that blur the measured vibration spectra of a gearbox and deteriorate the efficacy of spectral diagnostic methods. Although order-tracking techniques have been proposed to improve the performance of spectral diagnosis for nonstationary signals measured in such applications, the required hardware for the measurement of rotational speed of these machines is oftenmore » unavailable in industrial settings. Moreover, existing tacho-less order-tracking approaches are usually limited by the high time-frequency resolution requirement, which is a prerequisite for the precise estimation of the instantaneous frequency. To address such issues, a novel fault-signature enhancement algorithm is proposed that can alleviate the spectral smearing without the need of rotational speed measurement. This proposed tacho-less diagnostic technique resamples the measured acceleration signal of the gearbox based on the optimal warping path evaluated from the fast dynamic time-warping algorithm, which aligns a filtered shaft rotational harmonic signal with respect to a reference signal assuming a constant shaft rotational speed estimated from the approximation of operational speed. The effectiveness of this method is validated using both simulated signals from a fixed-axis gear pair under nonstationary conditions and experimental measurements from a 750-kW planetary wind turbine gearbox on a dynamometer test rig. Lastly, the results demonstrate that the proposed algorithm can identify fault information from typical gearbox vibration measurements carried out in a resource-constrained industrial environment.« less

A novel vibration-based fault diagnostic algorithm for gearboxes under speed fluctuations without rotational speed measurement

DOE PAGES

Hong, Liu; Qu, Yongzhi; Dhupia, Jaspreet Singh; ...

2017-02-27

The localized failures of gears introduce cyclic-transient impulses in the measured gearbox vibration signals. These impulses are usually identified from the sidebands around gear-mesh harmonics through the spectral analysis of cyclo-stationary signals. However, in practice, several high-powered applications of gearboxes like wind turbines are intrinsically characterized by nonstationary processes that blur the measured vibration spectra of a gearbox and deteriorate the efficacy of spectral diagnostic methods. Although order-tracking techniques have been proposed to improve the performance of spectral diagnosis for nonstationary signals measured in such applications, the required hardware for the measurement of rotational speed of these machines is oftenmore » unavailable in industrial settings. Moreover, existing tacho-less order-tracking approaches are usually limited by the high time-frequency resolution requirement, which is a prerequisite for the precise estimation of the instantaneous frequency. To address such issues, a novel fault-signature enhancement algorithm is proposed that can alleviate the spectral smearing without the need of rotational speed measurement. This proposed tacho-less diagnostic technique resamples the measured acceleration signal of the gearbox based on the optimal warping path evaluated from the fast dynamic time-warping algorithm, which aligns a filtered shaft rotational harmonic signal with respect to a reference signal assuming a constant shaft rotational speed estimated from the approximation of operational speed. The effectiveness of this method is validated using both simulated signals from a fixed-axis gear pair under nonstationary conditions and experimental measurements from a 750-kW planetary wind turbine gearbox on a dynamometer test rig. Lastly, the results demonstrate that the proposed algorithm can identify fault information from typical gearbox vibration measurements carried out in a resource-constrained industrial environment.« less

Separation of traveling and standing waves in a finite dispersive string with partial or continuous viscoelastic foundation

NASA Astrophysics Data System (ADS)

Cheng, Xiangle; Blanchard, Antoine; Tan, Chin An; Lu, Huancai; Bergman, Lawrence A.; McFarland, D. Michael; Vakakis, Alexander F.

2017-12-01

The free and forced vibrations of a linear string with a local spring-damper on a partial elastic foundation, as well as a linear string on a viscoelastic foundation conceptualized as a continuous distribution of springs and dampers, are studied in this paper. Exact, analytical results are obtained for the free and forced response to a harmonic excitation applied at one end of the string. Relations between mode complexity and energy confinement with the dispersion in the string system are examined for the steady-state forced vibration, and numerical methods are applied to simulate the transient evolution of energy propagation. Eigenvalue loci veering and normal mode localization are observed for weakly coupled subsystems, when the foundation stiffness is sufficiently large, for both the spatially symmetric and asymmetric systems. The forced vibration results show that nonproportional damping-induced mode complexity, for which there are co-existing regions of purely traveling waves and standing waves, is attainable for the dispersive string system. However, this wave transition phenomenon depends strongly on the location of the attached discrete spring-damper relative to the foundation and whether the excitation frequency Ω is above or below the cutoff frequency ωc. When Ω<ωc, the wave transition cannot be attained for a string on an elastic foundation, but is possible if the string is on a viscoelastic foundation. Although this study is primarily formulated for a harmonic boundary excitation at one end of the string, generalization of the mode complexity can be deduced for the steady-state forced response of the string-foundation system to synchronous end excitations and is confirmed numerically. This work represents a novel study to understand the wave transitions in a dispersive structural system and lays the groundwork for potentially effective passive vibration control strategies.

Correlation of atomic packing with the boson peak in amorphous alloys

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

Yang, W. M.; Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201; School of Materials Science and Engineering, Southeast University, Nanjing 211189

2014-09-28

Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diametermore » are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.« less

A case study of the fluid structure interaction of a Francis turbine

NASA Astrophysics Data System (ADS)

Müller, C.; Staubli, T.; Baumann, R.; Casartelli, E.

2014-03-01

The Francis turbine runners of the Grimsel 2 pump storage power plant showed repeatedly cracks during the last decade. It is assumed that these cracks were caused by flow induced forces acting on blades and eventual resonant runner vibrations lead to high stresses in the blade root areas. The eigenfrequencies of the runner were simulated in water using acoustic elements and compared to experimental data. Unsteady blades pressure distribution determined by a transient CFD simulation of the turbine were coupled to a FEM simulation. The FEM simulation enabled analyzing the stresses in the runner and the eigenmodes of the runner vibrations. For a part-load operating point, transient CFD simulations of the entire turbine, including the spiral case, the runner and the draft tube were carried out. The most significant loads on the turbine runner resulted from the centrifugal forces and the fluid forces. Such forces effect temporally invariant runner blades loads, in contrast rotor stator interaction or draft tube instabilities induce pressure fluctuations which cause the temporally variable forces. The blades pressure distribution resulting from the flow simulation was coupled by unidirectional-harmonic FEM simulation. The dominant transient blade pressure distribution of the CFD simulation were Fourier transformed, and the static and harmonic portion assigned to the blade surfaces in the FEM model. The evaluation of the FEM simulation showed that the simulated part load operating point do not cause critical stress peaks in the crack zones. The pressure amplitudes and frequencies are very small and interact only locally with the runner blades. As the frequencies are far below the modal frequencies of the turbine runner, resonant vibrations obviously are not excited.

Amplitude-dependent internal friction, hysteretic nonlinearity, and nonlinear oscillations in a magnesite resonator.

PubMed

Nazarov, V E; Kolpakov, A B; Radostin, A V

2012-07-01

The results of experimental and theoretical studies of low-frequency nonlinear acoustics phenomena (amplitude-dependent loss, resonance frequency shifts, and a generation of second and third harmonics) in a magnesite rod resonator are presented. Acceleration and velocity oscillograms of vibrations of the free boundary of the resonator caused by harmonic excitations were measured and analyzed. A theoretical description of the observed amplitude dependences was carried out within the framework of the phenomenological state equations that contain either of the two types of hysteretic nonlinearity (elastic and inelastic). The type of hysteresis and parameters of acoustic nonlinearity of magnesite were established from comparing the experimental measurements with the theoretical dependences. The values of the parameters were anomalously high even when compared to those of other strongly nonlinear polycrystalline materials such as granite, marble, limestone, sandstone, etc.

Ab Initio Calculations of Anharmonic Vibrational Spectroscopy for Hydrogen Fluoride (HF)n (n=3,4) and Mixed Hydrogen Fluoride/Water (HF)n(H20)n (n=1,2,4) Clusters

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny; Kwak, Dochan (Technical Monitor)

2001-01-01

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

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

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny

2002-01-01

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

Body vibrational spectra of metal flute models

NASA Astrophysics Data System (ADS)

Hurtgen, Clare M.; Lawson, Dewey T.

2002-11-01

For years, flutists have argued over the tonal advantages of using different precious metals for their instruments. Occasionally, scientists have entered the fray and attempted to offer an objective point of view based on experimental measurements. However, their research often involved actual instruments and performers, ignoring variations in wall thickness, craftsmanship, and human consistency. These experiments have been conducted using a variety of methods; all have concluded that wall material has no effect on tone. This paper approaches the question using simple tubular models, excited by a wind source through a fipple mouthpiece. The amplitude and phase of the harmonic components of the body vibrational signal were measured with a stereo cartridge. Results demonstrated the existence of complex patterns of wall vibrations in the vicinity of a tone hole lattice, at frequencies that match significant harmonics of the air column. Additionally, the tube wall was found to expand in a nonuniform or ''elliptical'' manner due to the asymmetry of the tone holes. While this method is somewhat removed from direct musical applications, it can provide an objective, quantitative basis for assessing the source of differences among flutes. [Work financed by two Undergraduate Research Support grants from Duke University.

Analytical Kinematics and Coupled Vibrations Analysis of Mechanical System Operated by Solar Array Drive Assembly

NASA Astrophysics Data System (ADS)

Sattar, M.; Wei, C.; Jalali, A.; Sattar, R.

2017-07-01

To address the impact of solar array (SA) anomalies and vibrations on performance of precision space-based operations, it is important to complete its accurate jitter analysis. This work provides mathematical modelling scheme to approximate kinematics and coupled micro disturbance dynamics of rigid load supported and operated by solar array drive assembly (SADA). SADA employed in analysis provides a step wave excitation torque to activate the system. Analytical investigations into kinematics is accomplished by using generalized linear and Euler angle coordinates, applying multi-body dynamics concepts and transformations principles. Theoretical model is extended, to develop equations of motion (EoM), through energy method (Lagrange equation). The main emphasis is to research coupled frequency response by determining energies dissipated and observing dynamic behaviour of internal vibratory systems of SADA. The disturbance model captures discrete active harmonics of SADA, natural modes and vibration amplifications caused by interactions between active harmonics and structural modes of mechanical assembly. The proposed methodology can help to predict true micro disturbance nature of SADA operating rigid load. Moreover, performance outputs may be compared against actual mission requirements to assess precise spacecraft controller design to meet next space generation stringent accuracy goals.

Cation-Cation pi-pi Stacking in Small Ionic Clusters of 1,2,4-Triazolium

DTIC Science & Technology

2008-01-01

ZPE ) obtained with MP2/aug-cc-pVDZ harmonic vibrational frequencies, the ionic tetramer is 1.2 kcal/mol lower in energy than that of the neutral one...respectively. Including ZPE , these three values become 5.7, 7.3, and 7.7 kcal/mol, respectively. Further corrections for the basis set effects from aug-cc-pVDZ

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

NASA Astrophysics Data System (ADS)

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

2000-10-01

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

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

Cryns, Jackson W.; Hatchell, Brian K.; Santiago-Rojas, Emiliano

Formal journal article Experimental analysis of a piezoelectric energy harvesting system for harmonic, random, and sine on random vibration Abstract: Harvesting power with a piezoelectric vibration powered generator using a full-wave rectifier conditioning circuit is experimentally compared for varying sinusoidal, random and sine on random (SOR) input vibration scenarios. Additionally, the implications of source vibration characteristics on harvester design are discussed. Studies in vibration harvesting have yielded numerous alternatives for harvesting electrical energy from vibrations but piezoceramics arose as the most compact, energy dense means of energy transduction. The rise in popularity of harvesting energy from ambient vibrations has mademore » piezoelectric generators commercially available. Much of the available literature focuses on maximizing harvested power through nonlinear processing circuits that require accurate knowledge of generator internal mechanical and electrical characteristics and idealization of the input vibration source, which cannot be assumed in general application. In this manuscript, variations in source vibration and load resistance are explored for a commercially available piezoelectric generator. We characterize the source vibration by its acceleration response for repeatability and transcription to general application. The results agree with numerical and theoretical predictions for in previous literature that load optimal resistance varies with transducer natural frequency and source type, and the findings demonstrate that significant gains are seen with lower tuned transducer natural frequencies for similar source amplitudes. Going beyond idealized steady state sinusoidal and simplified random vibration input, SOR testing allows for more accurate representation of real world ambient vibration. It is shown that characteristic interactions from more complex vibrational sources significantly alter power generation and power processing requirements by increasing harvested power, shifting optimal conditioning impedance, inducing significant voltage supply fluctuations and ultimately rendering idealized sinusoidal and random analyses insufficient.« less

A new potential energy surface for vibration-vibration coupling in HF-HF collisions. Formulation and quantal scattering calculations

NASA Astrophysics Data System (ADS)

Schwenke, David W.; Truhlar, Donald G.

1988-04-01

We present new ab initio calculations of the HF-HF interaction potential for the case where both molecules are simultaneously displaced from their equilibrium internuclear distance. These and previous ab initio calculations are then fit to a new analytic representation which is designed to be efficient to evaluate and to provide an especially faithful account of the forces along the vibrational coordinates. We use the new potential for two sets of quantal scattering calculations for collisions in three dimensions with total angular momentum zero. First we test that the angular harmonic representation of the anisotropy is adequate by comparing quantal rigid rotator calculations to those carried out for potentials involving higher angular harmonics and for which the expansion in angular harmonics is systematically increased to convergence. Then we carry out large-scale quantal calculations of vibration-vibration energy transfer including the coupling of both sets of vibrational and rotational coordinates. These calculations indicate that significant rotational energy transfer accompanies the vibration-to-vibration energy transfer process.

Physics and the Violin

ScienceCinema

Atwood, Bill [SCIPP, UCSC, Santa Cruz, California, United States

2017-12-09

While the violin has been around for several hundreds of years, our understanding of how it works is still evolving. The character of violin sound is controlled by its frequency content, i.e., the harmonic content (or in musical terminology - the overtones). Both the player and the way in which the violin was made affect this frequency content. Both of these aspects will be examined. Research into how whole body vibrational modes can be manipulated by the violin maker during fabrication will be discussed. Examples of resulting violin sound will be demonstrated.

Vibration Power Flow In A Constrained Layer Damping Cylindrical Shell

NASA Astrophysics Data System (ADS)

Wang, Yun; Zheng, Gangtie

2012-07-01

In this paper, the vibration power flow in a constrained layer damping (CLD) cylindrical shell using wave propagation approach is investigated. The dynamic equations of the shell are derived with the Hamilton principle in conjunction with the Donnell shell assumption. With these equations, the dynamic responses of the system under a line circumferential cosine harmonic exciting force is obtained by employing the Fourier transform and the residue theorem. The vibration power flows inputted to the system and transmitted along the shell axial direction are both studied. The results show that input power flow varies with driving frequency and circumferential mode order, and the constrained damping layer can obviously restrict the exciting force from inputting power flow into the base shell especially for a thicker viscoelastic layer, a thicker or stiffer constraining layer (CL), and a higher circumferential mode order, can rapidly attenuate the vibration power flow transmitted along the base shell axial direction.

Topology optimization of two-dimensional elastic wave barriers

NASA Astrophysics Data System (ADS)

Van hoorickx, C.; Sigmund, O.; Schevenels, M.; Lazarov, B. S.; Lombaert, G.

2016-08-01

Topology optimization is a method that optimally distributes material in a given design domain. In this paper, topology optimization is used to design two-dimensional wave barriers embedded in an elastic halfspace. First, harmonic vibration sources are considered, and stiffened material is inserted into a design domain situated between the source and the receiver to minimize wave transmission. At low frequencies, the stiffened material reflects and guides waves away from the surface. At high frequencies, destructive interference is obtained that leads to high values of the insertion loss. To handle harmonic sources at a frequency in a given range, a uniform reduction of the response over a frequency range is pursued. The minimal insertion loss over the frequency range of interest is maximized. The resulting design contains features at depth leading to a reduction of the insertion loss at the lowest frequencies and features close to the surface leading to a reduction at the highest frequencies. For broadband sources, the average insertion loss in a frequency range is optimized. This leads to designs that especially reduce the response at high frequencies. The designs optimized for the frequency averaged insertion loss are found to be sensitive to geometric imperfections. In order to obtain a robust design, a worst case approach is followed.

Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers

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

Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.

Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.

Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers

DOE PAGES

Belo, Ezequiel A.; Pereira, Jose E. M.; Freire, Paulo T. C.; ...

2018-01-01

Enantiomeric amino acids have specific physiological functions in complex biological systems. Systematic studies focusing on the solid-state properties of D-amino acids are, however, still limited. To shed light on this field, structural and spectroscopic studies of D-alanine using neutron powder diffraction, polarized Raman scattering and ab initio calculations of harmonic vibrational frequencies were carried out. Clear changes in the number of vibrational modes are observed as a function of temperature, which can be directly connected to variations of the N—D bond lengths. These results reveal dissimilarities in the structural properties of D-alanine compared with L-alanine.

Responses of bistable piezoelectric-composite energy harvester by means of recurrences

NASA Astrophysics Data System (ADS)

Syta, Arkadiusz; Bowen, Christopher R.; Kim, H. Alicia; Rysak, Andrzej; Litak, Grzegorz

2016-08-01

In this paper we examine the modal response of a bistable electro-mechanical energy harvesting device based on characterization of the experimental time-series. A piezoelectric element attached to a vibrating bistable carbon-fibre reinforced polymer laminate plate was used for the conversion of mechanical vibrations to electrical energy under harmonic excitations at a variety of frequencies and amplitudes. The inherent bistability of the mechanical resonator and snap-through phenomenon between stable states were exploited for energy harvesting. To identify the dynamics of the response of the studied harvesting structure and the associated output power generation we used the Fourier spectrum and Recurrence Quantification Analysis (RQA).

Noncontact rack-pinion-rack device as a differential vibration sensor.

PubMed

Miri, MirFaez; Nasiri, Mojtaba

2010-07-01

We study a nanoscale system composed of one corrugated cylinder (pinion) placed between two corrugated plates (racks). The pinion and racks have no mechanical contact, but are coupled via the lateral Casimir force-one of the most spectacular consequences of quantum fluctuations of the electromagnetic field. The noncontact design of the device could help with the noteworthy wear problem in nanoscale mechanical systems. We consider the case where both racks undergo harmonic lateral motion. We assume that the amplitude, frequency, and phase of one of the racks are known. We show that probing the pinion motion, one can determine the vibration characteristics of the other rack.

Identification of Rotorcraft Structural Dynamics from Flight and Wind Tunnel Data

NASA Technical Reports Server (NTRS)

McKillip, Robert M., Jr.

1997-01-01

Excessive vibration remains one one of the most difficult problems that faces the helicopter industry today, affecting all production helicopters at some phase of their development. Vibrations in rotating structures may arise from external periodic dynamic airloads whose frequencies are are close to the natural frequencies of the rotating system itself. The goal for the structures engineer would thus be to design a structure as free from resonance effects as possible. In the case of a helicopter rotor blade these dynamic loads are a consequence of asymmetric airload distribution on the rotor blade in forward flight, leading to a rich collection of higher harmonic airloads that force rotor and airframe response. Accurate prediction of the dynamic characteristics of a helicopter rotor blade will provide the opportunity to affect in a positive manner noise intensity, vibration level, durability, reliability and operating costs by reducing objectionable frequencies or moving them to a different frequency range and thus providing us with a lower vibration rotor. In fact, the dynamic characteristics tend to define the operating limits of a rotorcraft. As computing power has increased greatly over the last decade, researchers and engineers have turned to analyzing the vibrational characteristics of aerospace structures at the design and development stage of the production of an aircraft. Modern rotor blade construction methods lead to products with low mass and low inherent damping so careful design and analysis is required to avoid resonance and an undesirable dynamic performance. In addition, accurate modal analysis is necessary for several current approaches in elastic system identification and active control.

Method for targetless tracking subpixel in-plane movements.

PubMed

Espinosa, Julian; Perez, Jorge; Ferrer, Belen; Mas, David

2015-09-01

We present a targetless motion tracking method for detecting planar movements with subpixel accuracy. This method is based on the computation and tracking of the intersection of two nonparallel straight-line segments in the image of a moving object in a scene. The method is simple and easy to implement because no complex structures have to be detected. It has been tested and validated using a lab experiment consisting of a vibrating object that was recorded with a high-speed camera working at 1000 fps. We managed to track displacements with an accuracy of hundredths of pixel or even of thousandths of pixel in the case of tracking harmonic vibrations. The method is widely applicable because it can be used for distance measuring amplitude and frequency of vibrations with a vision system.

Structural and vibrational study of maprotiline

NASA Astrophysics Data System (ADS)

Yavuz, A. E.; Haman Bayarı, S.; Kazancı, N.

2009-04-01

Maprotiline ( N-methyl-9,10-ethanoanthracene-9(10H)-propanamine) is a tetra cyclic antidepressant. It is a highly selective inhibitor of norepinephrine reuptake. The solid and solution in CCl 4 and methanol infrared spectra of maprotiline were recorded. The fully optimized equilibrium structure of maprotiline was obtained from DFT calculations by using the B3LYP functional in combination with 6-31G and 6-311G(d,p) basis sets. The results of harmonic and anharmonic frequency calculations on maprotiline were presented. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical (SQM) force field. Vibrational assignment of all the fundamentals was made using the total energy distribution (TED). The possible interaction between maprotiline and neurotransmitter serotonin (5-HT) were investigated.

The Characteristics of Vibration Isolation System with Damping and Stiffness Geometrically Nonlinear

NASA Astrophysics Data System (ADS)

Lu, Ze-Qi; Chen, Li-Qun; Brennan, Michael J.; Li, Jue-Ming; Ding, Hu

2016-09-01

The paper concerns an investigation into the use of both stiffness and damping nonlinearity in the vibration isolator to improve its effectiveness. The nonlinear damping and nonlinear stiffness are both achieved by horizontal damping and stiffness as the way of the geometrical nonlinearity. The harmonic balance method is used to analyze the force transmissibility of such vibration isolation system. It is found that as the horizontal damping increasing, the height of the force transmissibility peak is decreased and the high-frequency force transmissibility is almost the same. The results are also validated by some numerical method. Then the RMS of transmissibility under Gaussian white noise is calculated numerically, the results demonstrate that the beneficial effects of the damping nonlinearity can be achieved under random excitation.

Molecular structure and vibrational spectra of three substituted 4-thioflavones by density functional theory and ab initio Hartree-Fock calculations

NASA Astrophysics Data System (ADS)

Li, Xiao-Hong; Liu, Xiang-Ru; Zhang, Xian-Zhou

2011-01-01

The vibrational frequencies of three substituted 4-thioflavones in the ground state have been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G* and 6-31+G** basis sets. The structural analysis shows that there exists H-bonding in the selected compounds and the hydrogen bond lengths increase with the augment of the conjugate parameters of the substituent group on the benzene ring. A complete vibrational assignment aided by the theoretical harmonic wavenumber analysis was proposed. The theoretical spectrograms for FT-IR spectra of the title compounds have been constructed. In addition, it is noted that the selected compounds show significant activity against Shigella flexniri. Several electronic properties and thermodynamic parameters were also calculated.

Piezoelectric monolayers as nonlinear energy harvesters.

PubMed

López-Suárez, Miquel; Pruneda, Miguel; Abadal, Gabriel; Rurali, Riccardo

2014-05-02

We study the dynamics of h-BN monolayers by first performing ab-initio calculations of the deformation potential energy and then solving numerically a Langevine-type equation to explore their use in nonlinear vibration energy harvesting devices. An applied compressive strain is used to drive the system into a nonlinear bistable regime, where quasi-harmonic vibrations are combined with low-frequency swings between the minima of a double-well potential. Due to its intrinsic piezoelectric response, the nonlinear mechanical harvester naturally provides an electrical power that is readily available or can be stored by simply contacting the monolayer at its ends. Engineering the induced nonlinearity, a 20 nm2 device is predicted to harvest an electrical power of up to 0.18 pW for a noisy vibration of 5 pN.

Anomaly detection of turbopump vibration in Space Shuttle Main Engine using statistics and neural networks

NASA Technical Reports Server (NTRS)

Lo, C. F.; Wu, K.; Whitehead, B. A.

1993-01-01

The statistical and neural networks methods have been applied to investigate the feasibility in detecting anomalies in turbopump vibration of SSME. The anomalies are detected based on the amplitude of peaks of fundamental and harmonic frequencies in the power spectral density. These data are reduced to the proper format from sensor data measured by strain gauges and accelerometers. Both methods are feasible to detect the vibration anomalies. The statistical method requires sufficient data points to establish a reasonable statistical distribution data bank. This method is applicable for on-line operation. The neural networks method also needs to have enough data basis to train the neural networks. The testing procedure can be utilized at any time so long as the characteristics of components remain unchanged.

The forced vibration of one-dimensional multi-coupled periodic structures: An application to finite element analysis

NASA Astrophysics Data System (ADS)

Mead, Denys J.

2009-01-01

A general theory for the forced vibration of multi-coupled one-dimensional periodic structures is presented as a sequel to a much earlier general theory for free vibration. Starting from the dynamic stiffness matrix of a single multi-coupled periodic element, it derives matrix equations for the magnitudes of the characteristic free waves excited in the whole structure by prescribed harmonic forces and/or displacements acting at a single periodic junction. The semi-infinite periodic system excited at its end is first analysed to provide the basis for analysing doubly infinite and finite periodic systems. In each case, total responses are found by considering just one periodic element. An already-known method of reducing the size of the computational problem is reexamined, expanded and extended in detail, involving reduction of the dynamic stiffness matrix of the periodic element through a wave-coordinate transformation. Use of the theory is illustrated in a combined periodic structure+finite element analysis of the forced harmonic in-plane motion of a uniform flat plate. Excellent agreement between the computed low-frequency responses and those predicted by simple engineering theories validates the detailed formulations of the paper. The primary purpose of the paper is not towards a specific application but to present a systematic and coherent forced vibration theory, carefully linked with the existing free-wave theory.

Comparison of Five System Identification Algorithms for Rotorcraft Higher Harmonic Control

NASA Technical Reports Server (NTRS)

Jacklin, Stephen A.

1998-01-01

This report presents an analysis and performance comparison of five system identification algorithms. The methods are presented in the context of identifying a frequency-domain transfer matrix for the higher harmonic control (HHC) of helicopter vibration. The five system identification algorithms include three previously proposed methods: (1) the weighted-least- squares-error approach (in moving-block format), (2) the Kalman filter method, and (3) the least-mean-squares (LMS) filter method. In addition there are two new ones: (4) a generalized Kalman filter method and (5) a generalized LMS filter method. The generalized Kalman filter method and the generalized LMS filter method were derived as extensions of the classic methods to permit identification by using more than one measurement per identification cycle. Simulation results are presented for conditions ranging from the ideal case of a stationary transfer matrix and no measurement noise to the more complex cases involving both measurement noise and transfer-matrix variation. Both open-loop identification and closed- loop identification were simulated. Closed-loop mode identification was more challenging than open-loop identification because of the decreasing signal-to-noise ratio as the vibration became reduced. The closed-loop simulation considered both local-model identification, with measured vibration feedback and global-model identification with feedback of the identified uncontrolled vibration. The algorithms were evaluated in terms of their accuracy, stability, convergence properties, computation speeds, and relative ease of implementation.

Removal of Stationary Sinusoidal Noise from Random Vibration Signals.

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

Johnson, Brian; Cap, Jerome S.

In random vibration environments, sinusoidal line noise may appear in the vibration signal and can affect analysis of the resulting data. We studied two methods which remove stationary sine tones from random noise: a matrix inversion algorithm and a chirp-z transform algorithm. In addition, we developed new methods to determine the frequency of the tonal noise. The results show that both of the removal methods can eliminate sine tones in prefabricated random vibration data when the sine-to-random ratio is at least 0.25. For smaller ratios down to 0.02 only the matrix inversion technique can remove the tones, but the metricsmore » to evaluate its effectiveness also degrade. We also found that using fast Fourier transforms best identified the tonal noise, and determined that band-pass-filtering the signals prior to the process improved sine removal. When applied to actual vibration test data, the methods were not as effective at removing harmonic tones, which we believe to be a result of mixed-phase sinusoidal noise.« less

Vibration characteristics of teak wood filled steel tubes

NASA Astrophysics Data System (ADS)

Danawade, Bharatesh Adappa; Malagi, Ravindra Rachappa

2018-05-01

The objective of this paper is to determine fundamental frequency and damping ratio of teak wood filled steel tubes. Mechanically bonded teak wood filled steel tubes have been evaluated by experimental impact hammer test using modal analysis. The results of impact hammer test were verified and validated by finite element tool ANSYS using harmonic analysis. The error between the two methods was observed to be within acceptable limit.

FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.

PubMed

Arjunan, V; Sakiladevi, S; Rani, T; Mythili, C V; Mohan, S

2012-03-01

The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

Small-scale rotor test rig capabilities for testing vibration alleviation algorithms

NASA Technical Reports Server (NTRS)

Jacklin, Stephen A.; Leyland, Jane Anne

1987-01-01

A test was conducted to assess the capabilities of a small scale rotor test rig for implementing higher harmonic control and stability augmentation algorithms. The test rig uses three high speed actuators to excite the swashplate over a range of frequencies. The actuator position signals were monitored to measure the response amplitudes at several frequencies. The ratio of response amplitude to excitation amplitude was plotted as a function of frequency. In addition to actuator performance, acceleration from six accelerometers placed on the test rig was monitored to determine whether a linear relationship exists between the harmonics of N/Rev control input and the least square error (LSE) identification technique was used to identify local and global transfer matrices for two rotor speeds at two batch sizes each. It was determined that the multicyclic control computer system interfaced very well with the rotor system and kept track of the input accelerometer signals and their phase angles. However, the current high speed actuators were found to be incapable of providing sufficient control authority at the higher excitation frequencies.

Molecular docking, spectroscopic studies and quantum calculations on nootropic drug.

PubMed

Uma Maheswari, J; Muthu, S; Sundius, Tom

2014-04-05

A systematic vibrational spectroscopic assignment and analysis of piracetam [(2-oxo-1-pyrrolidineacetamide)] have been carried out using FT-IR and FT-Raman spectral data. The vibrational analysis was aided by an electronic structure calculation based on the hybrid density functional method B3LYP using a 6-311G++(d,p) basis set. Molecular equilibrium geometries, electronic energies, IR and Raman intensities, and harmonic vibrational frequencies have been computed. The assignments are based on the experimental IR and Raman spectra, and a complete assignment of the observed spectra has been proposed. The UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies and the maximum absorption wavelengths λmax were determined by the time-dependent DFT (TD-DFT) method. The geometrical parameters, vibrational frequencies and absorption wavelengths were compared with the experimental data. The complete vibrational assignments are performed on the basis of the potential energy distributions (PED) of the vibrational modes in terms of natural internal coordinates. The simulated FT-IR, FT-Raman, and UV spectra of the title compound have been constructed. Molecular docking studies have been carried out in the active site of piracetam by using Argus Lab. In addition, the potential energy surface, HOMO and LUMO energies, first-order hyperpolarizability and the molecular electrostatic potential have been computed. Copyright © 2014 Elsevier B.V. All rights reserved.

Self-vibration cancellation of a novel bi-directional magnetized NdFeB/magnetostrictive/piezoelectric laminate

NASA Astrophysics Data System (ADS)

Leung, Chung Ming; Wang, Feifei; Wang, Ya

2016-06-01

A novel magnetoelectric (ME) laminated composite structure is proposed in this work, aiming to provide a good self-vibration cancellation performance under the magnetic field detection environment. The proposed structure consists of two Terfenol-D magnetostrictive alloy plates which are revised and length-magnetized by two NdFeB magnets bonded on the top surface of a thickness-polarized Pb(Zr, Ti)O3 (PZT) ceramic plate with separate electrodes. Experiments have shown that great vibration suppression up to 44 dB under harmonic disturbance was observed. The ME coefficient of the proposed structure also reaches up to ˜29 mV/Oe at non-resonance frequency and 758 mV/Oe at resonance frequency of 79 kHz which is ˜2 times larger than the traditional L-T Terfenol-D/PZT bilayer configuration of the same scale. Such performance improvement is achieved based on the bi-directional magnetic field bias (HBias) of two NdFeB magnets in magnetostrictive layer, internal in-series electrical wire connection in piezoelectric layer. The proposed design has great potential to be used for industrial applications associated with heavy environmental vibration noise.

Membrane Vibration Analysis Above the Nyquist Limit with Fluorescence Videogrammetry

NASA Technical Reports Server (NTRS)

Dorrington, Adrian A.; Jones, Thomas W.; Danehy, Paul M.; Pappa, Richard S.

2004-01-01

A new method for generating photogrammetric targets by projecting an array of laser beams onto a membrane doped with fluorescent laser dye has recently been developed. In this paper we review this new fluorescence based technique, then proceed to show how it can be used for dynamic measurements, and how a short pulsed (10 ns) laser allows the measurement of vibration modes at frequencies several times the sampling frequency. In addition, we present experimental results showing the determination of fundamental and harmonic vibration modes of a drum style dye-doped polymer membrane tautly mounted on a 12-inch circular hoop and excited with 30 Hz and 62 Hz sinusoidal acoustic waves. The projected laser dot pattern was generated by passing the beam from a pulsed Nd:YAG laser though a diffractive optical element, and the resulting fluorescence was imaged with three digital video cameras, all of which were synchronized with a pulse and delay generator. Although the video cameras are capable of 240 Hz frame rates, the laser s output was limited to 30 Hz and below. Consequently, aliasing techniques were used to allow the measurement of vibration modes up to 186 Hz with a Nyquist limit of less than 15 Hz.

Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

PubMed

Fushitani, Mizuho; Hishikawa, Akiyoshi

2016-11-01

We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

Application of higher harmonic blade feathering for helicopter vibration reduction

NASA Technical Reports Server (NTRS)

Powers, R. W.

1978-01-01

Higher harmonic blade feathering for helicopter vibration reduction is considered. Recent wind tunnel tests confirmed the effectiveness of higher harmonic control in reducing articulated rotor vibratory hub loads. Several predictive analyses developed in support of the NASA program were shown to be capable of calculating single harmonic control inputs required to minimize a single 4P hub response. In addition, a multiple-input, multiple-output harmonic control predictive analysis was developed. All techniques developed thus far obtain a solution by extracting empirical transfer functions from sampled data. Algorithm data sampling and processing requirements are minimal to encourage adaptive control system application of such techniques in a flight environment.

Harmonic motion detection in a vibrating scattering medium.

PubMed

Urban, Matthew W; Chen, Shigao; Greenleaf, James

2008-09-01

Elasticity imaging is an emerging medical imaging modality that seeks to map the spatial distribution of tissue stiffness. Ultrasound radiation force excitation and motion tracking using pulse-echo ultrasound have been used in numerous methods. Dynamic radiation force is used in vibrometry to cause an object or tissue to vibrate, and the vibration amplitude and phase can be measured with exceptional accuracy. This paper presents a model that simulates harmonic motion detection in a vibrating scattering medium incorporating 3-D beam shapes for radiation force excitation and motion tracking. A parameterized analysis using this model provides a platform to optimize motion detection for vibrometry applications in tissue. An experimental method that produces a multifrequency radiation force is also presented. Experimental harmonic motion detection of simultaneous multifrequency vibration is demonstrated using a single transducer. This method can accurately detect motion with displacement amplitude as low as 100 to 200 nm in bovine muscle. Vibration phase can be measured within 10 degrees or less. The experimental results validate the conclusions observed from the model and show multifrequency vibration induction and measurements can be performed simultaneously.

Harmonic Motion Detection in a Vibrating Scattering Medium

PubMed Central

Urban, Matthew W.; Chen, Shigao; Greenleaf, James F.

2008-01-01

Elasticity imaging is an emerging medical imaging modality that seeks to map the spatial distribution of tissue stiffness. Ultrasound radiation force excitation and motion tracking using pulse-echo ultrasound have been used in numerous methods. Dynamic radiation force is used in vibrometry to cause an object or tissue to vibrate, and the vibration amplitude and phase can be measured with exceptional accuracy. This paper presents a model that simulates harmonic motion detection in a vibrating scattering medium incorporating 3-D beam shapes for radiation force excitation and motion tracking. A parameterized analysis using this model provides a platform to optimize motion detection for vibrometry applications in tissue. An experimental method that produces a multifrequency radiation force is also presented. Experimental harmonic motion detection of simultaneous multifrequency vibration is demonstrated using a single transducer. This method can accurately detect motion with displacement amplitude as low as 100 to 200 nm in bovine muscle. Vibration phase can be measured within 10° or less. The experimental results validate the conclusions observed from the model and show multifrequency vibration induction and measurements can be performed simultaneously. PMID:18986892

Vibrational Power Flow Analysis of Rods and Beams

NASA Technical Reports Server (NTRS)

Wohlever, James Christopher; Bernhard, R. J.

1988-01-01

A new method to model vibrational power flow and predict the resulting energy density levels in uniform rods and beams is investigated. This method models the flow of vibrational power in a manner analogous to the flow of thermal power in a heat conduction problem. The classical displacement solutions for harmonically excited, hysteretically damped rods and beams are used to derive expressions for the vibrational power flow and energy density in the rod and beam. Under certain conditions, the power flow in these two structural elements will be shown to be proportional to the energy density gradient. Using the relationship between power flow and energy density, an energy balance on differential control volumes in the rod and beam leads to a Poisson's equation which models the energy density distribution in the rod and beam. Coupling the energy density and power flow solutions for rods and beams is also discussed. It is shown that the resonant behavior of finite structures complicates the coupling of solutions, especially when the excitations are single frequency inputs. Two coupling formulations are discussed, the first based on the receptance method, and the second on the travelling wave approach used in Statistical Energy Analysis. The receptance method is the more computationally intensive but is capable of analyzing single frequency excitation cases. The traveling wave approach gives a good approximation of the frequency average of energy density and power flow in coupled systems, and thus, is an efficient technique for use with broadband frequency excitation.

Structural characteristics and harmonic vibrational analysis of the stable conformer of 2,3-epoxypropanol by quantum chemical methods.

PubMed

Arjunan, V; Rani, T; Santhanam, R; Mohan, S

2012-10-01

The FT-IR and FT-Raman spectra of H bond inner conformer of 2,3-epoxypropanol have been recorded in the regions 3700-400 and 3700-100 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The normal coordinate analysis was carried out to confirm the precision of the assignments. The structure of the conformers H bond inner and H bond outer1 were optimised and the structural characteristics were determined by density functional theory (DFT) using B3LYP and MP2 methods with 6-31G** and 6-311++G** basis sets. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Copyright © 2012 Elsevier B.V. All rights reserved.

Dynamic characterization of AFM probes by laser Doppler vibrometry and stroboscopic holographic methodologies

NASA Astrophysics Data System (ADS)

Kuppers, J. D.; Gouverneur, I. M.; Rodgers, M. T.; Wenger, J.; Furlong, C.

2006-08-01

In atomic probe microscopy, micro-probes of various sizes, geometries, and materials are used to define the interface between the samples under investigation and the measuring detectors and instrumentation. Therefore, measuring resolution in atomic probe microscopy is highly dependent on the transfer function characterizing the micro-probes used. In this paper, characterization of the dynamic transfer function of specific micro-cantilever probes used in an Atomic Force Microscope (AFM) operating in the tapping mode is presented. Characterization is based on the combined application of laser Doppler vibrometry (LDV) and real-time stroboscopic optoelectronic holographic microscopy (OEHM) methodologies. LDV is used for the rapid measurement of the frequency response of the probes due to an excitation function containing multiple frequency components. Data obtained from the measured frequency response is used to identify the principal harmonics. In order to identify mode shapes corresponding to the harmonics, full-field of view OEHM is applied. This is accomplished by measurements of motion at various points on the excitation curve surrounding the identified harmonics. It is shown that the combined application of LDV and OEHM enables the high-resolution characterization of mode shapes of vibration, damping characteristics, as well as transient response of the micro-cantilever probes. Such characterization is necessary in high-resolution AFM measurements.

A flexural crack model for damage detection in reinforced concrete structures

NASA Astrophysics Data System (ADS)

Hamad, W. I.; Owen, J. S.; Hussein, M. F. M.

2011-07-01

The use of changes in vibration data for damage detection of reinforced concrete structures faces many challenges that obstruct its transition from a research topic to field applications. Among these is the lack of appropriate damage models that can be deployed in the damage detection methods. In this paper, a model of a simply supported reinforced concrete beam with multiple cracks is developed to examine its use for damage detection and structural health monitoring. The cracks are simulated by a model that accounts for crack formation, propagation and closure. The beam model is studied under different dynamic excitations, including sine sweep and single excitation frequency, for various damage levels. The changes in resonant frequency with increasing loads are examined along with the nonlinear vibration characteristics. The model demonstrates that the resonant frequency reduces by about 10% at the application of 30% of the ultimate load and then drops gradually by about 25% at 70% of the ultimate load. The model also illustrates some nonlinearity in the dynamic response of damaged beams. The appearance of super-harmonics shows that the nonlinearity is higher when the damage level is about 35% and then decreases with increasing damage. The restoring force-displacement relationship predicted the reduction in the overall stiffness of the damaged beam. The model quantitatively predicts the experimental vibration behaviour of damaged RC beams and also shows the damage dependency of nonlinear vibration behaviour.

Dynamics of fluidic devices with applications to rotor pitch links

NASA Astrophysics Data System (ADS)

Scarborough, Lloyd H., III

Coupling a Fluidic Flexible Matrix Composite (F2MC) to an air-pressurized fluid port produces a fundamentally new class of tunable vibration isolator. This fluidlastic device provides significant vibration reduction at an isolation frequency that can be tuned over a broad frequency range. The material properties and geometry of the F2MC element, as well as the port inertance, determine the isolation frequency. A unique feature of this device is that the port inertance depends on pressure so the isolation frequency can be adjusted by changing the air pressure. For constant port inertance, the isolation frequency is largely independent of the isolated mass so the device is robust to changes in load. A nonlinear model is developed to predict isolator length and port inertance. The model is linearized and the frequency response calculated. Experiments agree with theory, demonstrating a tunable isolation range from 9 Hz to 36 Hz and transmitted force reductions of up to 60 dB at the isolation frequency. Replacing rigid pitch links on rotorcraft with coupled fluidic devices has the potential to reduce the aerodynamic blade loads transmitted through the pitch links to the swashplate. Analytical models of two fluidic devices coupled with three different fluidic circuits are derived. These passive fluidlastic systems are tuned, by varying the fluid inertances and capacitances of each fluidic circuit, to reduce the transmitted pitch-link loads. The different circuit designs result in transmitted pitch link loads reduction at up to three main rotor harmonics. The simulation results show loads reduction at the targeted out-of-phase and in-phase harmonics of up to 88% and 93%, respectively. Experimental validation of two of the fluidic circuits demonstrates loads reduction of up to 89% at the out-of-phase isolation frequencies and up to 81% at the in-phase isolation frequencies. Replacing rigid pitch links on rotorcraft with fluidic pitch links changes the blade torsional impedance. At low frequency, the pitch link must have high impedance to pass through the pilot's collective and cyclic commands to control the aircraft. At higher frequencies, however, the pitch-link impedance can be tuned to change the blade pitching response to higher harmonic loads. Active blade control to produce higher harmonic pitch motions has been shown to reduce hub loads and increase rotor efficiency. This work investigates whether fluidic pitch links can passively provide these benefits. An analytical model of a fluidic pitch link is derived and incorporated into a rotor aeroelastic simulation for a rotor similar to that of the UH-60. Eighty-one simulations with varied fluidic pitch link parameters demonstrate that their impedance can be tailored to reduce rotor power and all six hub forces and moments. While no impedance was found that simultaneously reduced all components, the results include cases with reductions in the lateral 4/rev hub force of up to 91% and 4/rev hub pitching moment of up to 67%, and main rotor power of up to 5%.

New modified multi-level residue harmonic balance method for solving nonlinearly vibrating double-beam problem

NASA Astrophysics Data System (ADS)

Rahman, Md. Saifur; Lee, Yiu-Yin

2017-10-01

In this study, a new modified multi-level residue harmonic balance method is presented and adopted to investigate the forced nonlinear vibrations of axially loaded double beams. Although numerous nonlinear beam or linear double-beam problems have been tackled and solved, there have been few studies of this nonlinear double-beam problem. The geometric nonlinear formulations for a double-beam model are developed. The main advantage of the proposed method is that a set of decoupled nonlinear algebraic equations is generated at each solution level. This heavily reduces the computational effort compared with solving the coupled nonlinear algebraic equations generated in the classical harmonic balance method. The proposed method can generate the higher-level nonlinear solutions that are neglected by the previous modified harmonic balance method. The results from the proposed method agree reasonably well with those from the classical harmonic balance method. The effects of damping, axial force, and excitation magnitude on the nonlinear vibrational behaviour are examined.

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

NASA Astrophysics Data System (ADS)

Cruz Ortiz, Andrés Felipe; Sánchez López, Alberto; García Ríos, Alejandro; Cuenú Cabezas, Fernando; Rozo Correa, Ciro Eduardo

2015-10-01

(E)-1-(2-aminophenyl)-3-(pyridine-4-yl)prop-2-en-1-one (or simply 2-aminochalcone) was synthetized and characterized by elemental analysis, FT-IR, NMR, MS and XRD. Molecular geometry optimization, vibrational harmonic frequencies, 1H and 13C NMR chemical shifts were calculated by ab initio (HF and MP2) and density functional theory (DFT) methods, with B3LYP and B3PW91 functionals, using GAUSSIAN 09 program package without any constraint on the geometry. With VEDA software vibrational frequencies were assigned in terms of the potential energy distribution. A detailed interpretation of the FT-IR, NMR and XRD, experimental and calculated, is reported. The HOMO and LUMO energy gap that reflects the chemical activity of the molecule were also studied by DFT and above basis set. All theoretical results correspond to a great extent to experimental ones.

A continuous-wave ultrasound system for displacement amplitude and phase measurement.

PubMed

Finneran, James J; Hastings, Mardi C

2004-06-01

A noninvasive, continuous-wave ultrasonic technique was developed to measure the displacement amplitude and phase of mechanical structures. The measurement system was based on a method developed by Rogers and Hastings ["Noninvasive vibration measurement system and method for measuring amplitude of vibration of tissue in an object being investigated," U.S. Patent No. 4,819,643 (1989)] and expanded to include phase measurement. A low-frequency sound source was used to generate harmonic vibrations in a target of interest. The target was simultaneously insonified by a low-power, continuous-wave ultrasonic source. Reflected ultrasound was phase modulated by the target motion and detected with a separate ultrasonic transducer. The target displacement amplitude was obtained directly from the received ultrasound frequency spectrum by comparing the carrier and sideband amplitudes. Phase information was obtained by demodulating the received signal using a double-balanced mixer and low-pass filter. A theoretical model for the ultrasonic receiver field is also presented. This model coupled existing models for focused piston radiators and for pulse-echo ultrasonic fields. Experimental measurements of the resulting receiver fields compared favorably with theoretical predictions.

Blade-Mounted Flap Control for BVI Noise Reduction Proof-of-Concept Test

NASA Technical Reports Server (NTRS)

Dawson, Seth; Hassan, Ahmed; Straub, Friedrich; Tadghighi, Hormoz

1995-01-01

This report describes a wind tunnel test of the McDonnell Douglas Helicopter Systems (MDHS) Active Flap Model Rotor at the NASA Langley 14- by 22-Foot Subsonic Tunnel. The test demonstrated that BVI noise reductions and vibration reductions were possible with the use of an active flap. Aerodynamic results supported the acoustic data trends, showing a reduction in the strength of the tip vortex with the deflection of the flap. Acoustic results showed that the flap deployment, depending on the peak deflection angle and azimuthal shift in its deployment schedule, can produce BVI noise reductions as much as 6 dB on the advancing and retreating sides. The noise reduction was accompanied by an increase in low frequency harmonic noise and high frequency broadband noise. A brief assessment of the effect of the flap on vibration showed that significant reductions were possible. The greatest vibration reductions (as much as 76%) were found in the four per rev pitching moment at the hub. Performance improvement cam results were inconclusive, as the improvements were predicted to be smaller than the resolution of the rotor balance.

Thickness resonances dispersion characteristics of a lossy piezoceramic plate with electrodes of arbitrary conductivity.

PubMed

Mezheritsky, Alex A; Mezheritsky, Alex V

2007-12-01

A theoretical description of the dissipative phenomena in the wave dispersion related to the "energytrap" effect in a thickness-vibrating, infinite thicknesspolarized piezoceramic plate with resistive electrodes is presented. The three-dimensional (3-D) equations of linear piezoelectricity were used to obtain symmetric and antisymmetric solutions of plane harmonic waves and investigate the eigen-modes of thickness longitudinal (TL) up to third harmonic and shear (TSh) up to ninth harmonic vibrations of odd- and even-orders. The effects of internal and electrode energy dissipation parameters on the wave propagation under regimes ranging from a short-circuit (sc) condition through RC-type relaxation dispersion to an opencircuit (oc) condition are examined in detail for PZT piezoceramics with three characteristic T -mode energy-trap figure-of-merit c-(D)(33)/c-(E)(44) values - less, near equal and higher 4 - when the second harmonic spurious TSh resonance lies below, inside, and above the fundamental TL resonanceantiresonance frequency interval. Calculated complex lateral wave number dispersion dependences on frequency and electrode resistance are found to follow the universal scaling formula similar to those for dielectrics characterization. Formally represented as a Cole-Cole diagram, the dispersion branches basically exhibit Debye-like and modified Davidson Cole dependences. Varying the dissipation parameters of internal loss and electrode conductivity, the interaction of different branches was demonstrated by analytical and numerical analysis. For the purposes of dispersion characterization of at least any thickness resonance, the following theorem was stated: the ratio of two characteristic determinants, specifically constructed from the oc and sc boundary conditions, in the limit of zero lateral wave number, is equal to the basic elementary-mode normalized admittance. As was found based on the theorem, the dispersion near the basic and nonbasic TL and TSh resonances reveal some simple representations related to the respective elementary admittance and showing the connection between the propagation and excitation problems in a continuous piezoactive medium.

The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling

NASA Astrophysics Data System (ADS)

Roos, Claudia; Köhn, Andreas; Gauss, Jürgen; Diezemann, Gregor

2014-10-01

We calculate the effect of a linear electron-phonon coupling on vibronic transitions of dye molecules of arbitrary complexity. With the assumption of known vibronic frequencies (for instance from quantum-chemical calculations), we give expressions for the absorption or emission lineshapes in a second-order cumulant expansion. We show that the results coincide with those obtained from generalized Redfield theory if one uses the time-local version of the theory and applies the secular approximation. Furthermore, the theory allows to go beyond the Huang-Rhys approximation and can be used to incorporate Dushinsky effects in the treatment of the temperature dependence of optical spectra. We consider both, a pure electron-phonon coupling independent of the molecular vibrations and a coupling bilinear in the molecular vibrational modes and the phonon coordinates. We discuss the behavior of the vibronic density of states for various models for the spectral density representing the coupling of the vibronic system to the harmonic bath. We recover some of the results that have been derived earlier for the spin-boson model and we show that the behavior of the spectral density at low frequencies determines the dominant features of the spectra. In case of the bilinear coupling between the molecular vibrations and the phonons we give analytical expressions for different spectral densities. The spectra are reminiscent of those obtained from the well known Brownian oscillator model and one finds a zero-phonon line and phonon-side bands located at vibrational frequencies of the dye. The intensity of the phonon-side bands diminishes with increasing vibrational frequencies and with decreasing coupling strength (Huang-Rhys factor). It vanishes completely in the Markovian limit where only a Lorentzian zero-phonon line is observed.

Dynamic frequency-domain interferometer for absolute distance measurements with high resolution

NASA Astrophysics Data System (ADS)

Weng, Jidong; Liu, Shenggang; Ma, Heli; Tao, Tianjiong; Wang, Xiang; Liu, Cangli; Tan, Hua

2014-11-01

A unique dynamic frequency-domain interferometer for absolute distance measurement has been developed recently. This paper presents the working principle of the new interferometric system, which uses a photonic crystal fiber to transmit the wide-spectrum light beams and a high-speed streak camera or frame camera to record the interference stripes. Preliminary measurements of harmonic vibrations of a speaker, driven by a radio, and the changes in the tip clearance of a rotating gear wheel show that this new type of interferometer has the ability to perform absolute distance measurements both with high time- and distance-resolution.

Interior noise in the untreated Gulfstream II Propfan Test Assessment (PTA) aircraft

NASA Technical Reports Server (NTRS)

Kuntz, H. L.; Prydz, R. A.

1989-01-01

Interior noise on the Gulfstream II Propfan Test Assessment (PTA) aircraft was measured using 19 wing, 22 fuselage, and 32 cabin-interior microphones to determine the sources of the cabin noise. Results from ground and flight test acoustic and vibration measurements and analyses show that the major source of cabin noise was the airborne propfan blade passage frequency tones. The radiated sound pressure levels and the richness of the harmonic content of the propfan increased with increasing altitude. The acoustic output of the propfan also depended on the shaft power, helical Mach number, and blade passage frequency.

Wind turbine acoustics

NASA Technical Reports Server (NTRS)

Hubbard, Harvey H.; Shepherd, Kevin P.

1990-01-01

Available information on the physical characteristics of the noise generated by wind turbines is summarized, with example sound pressure time histories, narrow- and broadband frequency spectra, and noise radiation patterns. Reviewed are noise measurement standards, analysis technology, and a method of characterizing wind turbine noise. Prediction methods are given for both low-frequency rotational harmonics and broadband noise components. Also included are atmospheric propagation data showing the effects of distance and refraction by wind shear. Human perception thresholds, based on laboratory and field tests, are given. Building vibration analysis methods are summarized. The bibliography of this report lists technical publications on all aspects of wind turbine acoustics.

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 struts ends are connected in pairs to the base and to the platform, forming an octahedron. The six struts provide the vibration isolation due to the properties of mechanical oscillators that behave as second-order lowpass filters for frequencies above the resonance. At high frequency, the ideal second-order low-pass filter response is spoiled by the distributed mass and the internal modes of membrane and of the platform with its payload.

Response of microchip solid-state laser to external frequency-shifted feedback and its applications

PubMed Central

Tan, Yidong; Zhang, Shulian; Zhang, Song; Zhang, Yongqing; Liu, Ning

2013-01-01

The response of the microchip solid-state Nd:YAG laser, which is subjected to external frequency-shifted feedback, is experimentally and theoretically analysed. The continuous weak response of the laser to the phase and amplitude of the feedback light is achieved by controlling the feedback power level, and this system can be used to achieve contact-free measurement of displacement, vibration, liquid evaporation and thermal expansion with nanometre accuracy in common room conditions without precise environmental control. Furthermore, a strong response, including chaotic harmonic and parametric oscillation, is observed, and the spectrum of this response, as examined by a frequency-stabilised Nd:YAG laser, indicates laser spectral linewidth broadening. PMID:24105389

Response of microchip solid-state laser to external frequency-shifted feedback and its applications.

PubMed

Tan, Yidong; Zhang, Shulian; Zhang, Song; Zhang, Yongqing; Liu, Ning

2013-10-09

The response of the microchip solid-state Nd:YAG laser, which is subjected to external frequency-shifted feedback, is experimentally and theoretically analysed. The continuous weak response of the laser to the phase and amplitude of the feedback light is achieved by controlling the feedback power level, and this system can be used to achieve contact-free measurement of displacement, vibration, liquid evaporation and thermal expansion with nanometre accuracy in common room conditions without precise environmental control. Furthermore, a strong response, including chaotic harmonic and parametric oscillation, is observed, and the spectrum of this response, as examined by a frequency-stabilised Nd:YAG laser, indicates laser spectral linewidth broadening.

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.

Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics

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

Campetella, M.; Caminiti, R.; Bencivenni, L.

2016-07-14

In this work we report an analysis of the bulk phase of 2-methoxyethylammonium nitrate based on ab initio molecular dynamics. The structural and dynamical features of the ionic liquid have been characterized and the computational findings have been compared with the experimental X-ray diffraction patterns, with infrared spectroscopy data, and with the results obtained from molecular dynamics simulations. The experimental infrared spectrum was interpreted with the support of calculated vibrational density of states as well as harmonic frequency calculations of selected gas phase clusters. Particular attention was addressed to the high frequency region of the cation (ω > 2000 cm{supmore » −1}), where the vibrational motions involve the NH{sub 3}+ group responsible for hydrogen bond formation, and to the frequency range 1200-1400 cm{sup −1} where the antisymmetric stretching mode (ν{sub 3}) of nitrate is found. Its multiple absorption lines in the liquid arise from the removal of the degeneracy present in the D{sub 3h} symmetry of the isolated ion. Our ab initio molecular dynamics leads to a rationalization of the frequency shifts and splittings, which are inextricably related to the structural modifications induced by a hydrogen bonding environment. The DFT calculations lead to an inhomogeneous environment.« less

Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[ d]oxazol-3(2 H)-yl)propanoic acid

NASA Astrophysics Data System (ADS)

Arslan, Hakan; Algül, Öztekin; Önkol, Tijen

2008-08-01

The molecular structure, vibrational frequencies and infrared intensities of the 3-(6-benzoyl-2-oxobenzo[ d]oxazol-3(2 H)-yl)propanoic acid were calculated by the HF and DFT methods using 6-31G(d) basis set. The FT-infrared spectra have been measured for the title compound in the solid state. We obtained 11 stable conformers for the title compound, however the Conformer 1 is approximately 3.88 kcal/mol more stable than the Conformer 11. The comparison of the theoretical and experimental geometry of the title compound shows that the X-ray parameters fairly well reproduce the geometry of the Conformer 1. The harmonic vibrations computed of this compound by the B3LYP/6-31G(d) method are in a good agreement with the observed IR spectral data. Theoretical vibrational spectra of the title compound were interpreted by means of PEDs using VEDA 4 program.

Non-Linear Structural Dynamics Characterization using a Scanning Laser Vibrometer

NASA Technical Reports Server (NTRS)

Pai, P. F.; Lee, S.-Y.

2003-01-01

This paper presents the use of a scanning laser vibrometer and a signal decomposition method to characterize non-linear dynamics of highly flexible structures. A Polytec PI PSV-200 scanning laser vibrometer is used to measure transverse velocities of points on a structure subjected to a harmonic excitation. Velocity profiles at different times are constructed using the measured velocities, and then each velocity profile is decomposed using the first four linear mode shapes and a least-squares curve-fitting method. From the variations of the obtained modal \\ielocities with time we search for possible non-linear phenomena. A cantilevered titanium alloy beam subjected to harmonic base-excitations around the second. third, and fourth natural frequencies are examined in detail. Influences of the fixture mass. gravity. mass centers of mode shapes. and non-linearities are evaluated. Geometrically exact equations governing the planar, harmonic large-amplitude vibrations of beams are solved for operational deflection shapes using the multiple shooting method. Experimental results show the existence of 1:3 and 1:2:3 external and internal resonances. energy transfer from high-frequency modes to the first mode. and amplitude- and phase- modulation among several modes. Moreover, the existence of non-linear normal modes is found to be questionable.

A novel model of interaction between high frequency electromagnetic non-ionizing fields and microtubules viewed as coupled two-degrees of freedom harmonic oscillators.

PubMed

Caligiuri, Luigi Maxmilian

2015-01-01

The question regarding the potential biological and adverse health effects of non-ionizing electromagnetic fields on living organisms is of primary importance in biophysics and medicine. Despite the several experimental evidences showing such occurrence in a wide frequency range from extremely low frequency to microwaves, a definitive theoretical model able to explain a possible mechanism of interaction between electromagnetic fields and living matter, especially in the case of weak and very weak intensities, is still missing. In this paper it has been suggested a possible mechanism of interaction involving the resonant absorption of electromagnetic radiation by microtubules. To this aim these have been modeled as non-dissipative forced harmonic oscillators characterized by two coupled "macroscopic" degrees of freedom, respectively describing longitudinal and transversal vibrations induced by the electromagnetic field. We have shown that the proposed model, although at a preliminary stage, is able to explain the ability of even weak electromagnetic radiating electromagnetic fields to transfer high quantities of energy to living systems by means of a resonant mechanism, so capable to easily damage microtubules structure.

World Record Magnetic Field 100T

ScienceCinema

McDonald, Ross; Mielke, Chuck; Rickel, Dwight

2018-01-16

Scientists at the Los Alamos National Laboratory campus of the National High Magnetic Field Laboratory have successfully produced the world's first 100 Tesla non-destructive magnetic field. The achievement was decades in the making, involving a diverse team of scientists and engineers. The 100 Tesla mark was reached at approximately 3:30 p.m. on March 22, 2012. A note about the sound you'll hear when the magnet is energized: The sound that the 100 T multi-shot magnet makes is due to the electrical current modulation from the 3 phase power converters (known as 12 pulse converters) and the harmonics associated with the chopping of the sinusoidal input power. The magnet vibrates at the electrical current frequencies multiplied by 12 (i.e. ~ 55 Hz x 12 = 660 Hz) hence making an audible sound. The generator is not run at full speed (1650 RPM instead of 1800 RPM) so the frequency is slightly lower than US Line frequency (i.e. 55 Hz instead of 60 Hz). A spectrograph of the sound from the magnet pulse shows the multiple harmonics as reddish horizontal bands as a function of time.

Bearings fault detection in helicopters using frequency readjustment and cyclostationary analysis

NASA Astrophysics Data System (ADS)

Girondin, Victor; Pekpe, Komi Midzodzi; Morel, Herve; Cassar, Jean-Philippe

2013-07-01

The objective of this paper is to propose a vibration-based automated framework dealing with local faults occurring on bearings in the transmission of a helicopter. The knowledge of the shaft speed and kinematic computation provide theoretical frequencies that reveal deteriorations on the inner and outer races, on the rolling elements or on the cage. In practice, the theoretical frequencies of bearing faults may be shifted. They may also be masked by parasitical frequencies because the numerous noisy vibrations and the complexity of the transmission mechanics make the signal spectrum very profuse. Consequently, detection methods based on the monitoring of the theoretical frequencies may lead to wrong decisions. In order to deal with this drawback, we propose to readjust the fault frequencies from the theoretical frequencies using the redundancy introduced by the harmonics. The proposed method provides the confidence index of the readjusted frequency. Minor variations in shaft speed may induce random jitters. The change of the contact surface or of the transmission path brings also a random component in amplitude and phase. These random components in the signal destroy spectral localization of frequencies and thus hide the fault occurrence in the spectrum. Under the hypothesis that these random signals can be modeled as cyclostationary signals, the envelope spectrum can reveal that hidden patterns. In order to provide an indicator estimating fault severity, statistics are proposed. They make the hypothesis that the harmonics at the readjusted frequency are corrupted with an additive normally distributed noise. In this case, the statistics computed from the spectra are chi-square distributed and a signal-to-noise indicator is proposed. The algorithms are then tested with data from two test benches and from flight conditions. The bearing type and the radial load are the main differences between the experiences on the benches. The fault is mainly visible in the spectrum for the radially constrained bearing and only visible in the envelope spectrum for the "load-free" bearing. Concerning results in flight conditions, frequency readjustment demonstrates good performances when applied on the spectrum, showing that a fully automated bearing decision procedure is applicable for operational helicopter monitoring.

Anomalous interlayer vibrations in strongly coupled layered PdSe 2

DOE PAGES

Puretzky, Alexander A.; Oyedele, Akinola D.; Xiao, Kai; ...

2018-05-04

In this work, we show unusual effects of strong interlayer coupling on low-frequency (LF) Raman scattering in exfoliated PdSe 2 crystals with different number of layers. Unlike many other layered materials, it is found that the measured frequencies of the breathing modes cannot be simply described by a conventional linear chain model (LCM) that treats each layer as a single rigid object. By using first-principles calculations, we show that strong deviations from layer rigidity can occur for the LF breathing vibrations of PdSe 2, which accounts for the observed disagreement with the conventional LCM. The layer non-rigidity and strong interlayermore » coupling could also explain the unusual strong intensities of the LF breathing modes that are comparable with those of the high-frequency Raman modes. These strong intensities allowed us to use a set of the measured LF Raman lines as unique fingerprints for a precise assignment of the layer numbers. The assignment of the layer numbers was further confirmed using second harmonic generation that appeared only in the noncentrosymmetric even-layer PdSe 2 crystals. In conclusion, this work thus demonstrates a simple and fast approach for the determination of the number of layers in 2D materials with strong interlayer coupling and non-rigid interlayer vibrations.« less

Anomalous interlayer vibrations in strongly coupled layered PdSe 2

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

Puretzky, Alexander A.; Oyedele, Akinola D.; Xiao, Kai

In this work, we show unusual effects of strong interlayer coupling on low-frequency (LF) Raman scattering in exfoliated PdSe 2 crystals with different number of layers. Unlike many other layered materials, it is found that the measured frequencies of the breathing modes cannot be simply described by a conventional linear chain model (LCM) that treats each layer as a single rigid object. By using first-principles calculations, we show that strong deviations from layer rigidity can occur for the LF breathing vibrations of PdSe 2, which accounts for the observed disagreement with the conventional LCM. The layer non-rigidity and strong interlayermore » coupling could also explain the unusual strong intensities of the LF breathing modes that are comparable with those of the high-frequency Raman modes. These strong intensities allowed us to use a set of the measured LF Raman lines as unique fingerprints for a precise assignment of the layer numbers. The assignment of the layer numbers was further confirmed using second harmonic generation that appeared only in the noncentrosymmetric even-layer PdSe 2 crystals. In conclusion, this work thus demonstrates a simple and fast approach for the determination of the number of layers in 2D materials with strong interlayer coupling and non-rigid interlayer vibrations.« less

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.

Removing function model and experiments on ultrasonic polishing molding die

NASA Astrophysics Data System (ADS)

Huang, Qitai; Ni, Ying; Yu, Jingchi

2010-10-01

Low temperature glass molding technology is the main method on volume-producing high precision middle and small diameter optical cells in the future. While the accuracy of the molding die will effect the cell precision, so the high precision molding die development is one of the most important part of the low temperature glass molding technology. The molding die is manufactured from high rigid and crisp metal alloy, with the ultrasonic vibration character of high vibration frequency and concentrative energy distribution; abrasive particles will impact the rigid metal alloy surface with very high speed that will remove the material from the work piece. Ultrasonic can make the rigid metal alloy molding die controllable polishing and reduce the roughness and surface error. Different from other ultrasonic fabrication method, untouched ultrasonic polishing is applied on polish the molding die, that means the tool does not touch the work piece in the process of polishing. The abrasive particles vibrate around the balance position with high speed and frequency under the drive of ultrasonic vibration in the liquid medium and impact the workspace surface, the energy of abrasive particles come from ultrasonic vibration, while not from the direct hammer blow of the tool. So a nummular vibrator simple harmonic vibrates on an infinity plane surface is considered as a model of ultrasonic polishing working condition. According to Huygens theory the sound field distribution on a plane surface is analyzed and calculated, the tool removing function is also deduced from this distribution. Then the simple point ultrasonic polishing experiment is proceeded to certificate the theory validity.

Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study

NASA Astrophysics Data System (ADS)

Afzali, R.; Vakili, M.; Boluri, E.; Tayyari, S. F.; Nekoei, A.-R.; Hakimi-Tabar, M.; Darugar, V.

2018-02-01

An interpretation of the experimental IR and Raman spectra of Aluminum (III) trifluoroacetylacetonate (Al(TFAA)3) complex, which were synthesized by us, is first reported here. The charge distribution, isomerism, strength of metal-oxygen binding and vibrational spectral properties for this complex structure were theoretically investigated through population analysis, geometry optimization and harmonic frequency calculations, performed at B3LYP/6-311G* level of theory. In the population analysis, two different approaches reffered to as ;Atoms in molecules (AIM);, and ;Natural Bond Orbital (NBO); were used. According to the calculation resuls, the energy difference between the cis and trans isomers of Al(TFAA)3 is very small and indicates that both isomers coexist in the sample in comparable proportions. Comparison of the calculated frequency and intensity data with the observed IR and Raman spectra of the complex has supported this conclusion. On the other hand, comparison of the structural and vibrational spectral data of Al(TFAA)3, which were experimentally measured and calculated at B3LYP/6-311G* level, with the corresponding data of Aluminum acetylacetonate (Al(AA)3) has revealed the effects of CF3 substitution on the structural and vibrational spectral data associated with the CH3 groups in the complex structure.

Exploiting elastic anharmonicity in aluminum nitride matrix for phase-synchronous frequency reference generation

NASA Astrophysics Data System (ADS)

Ghatge, Mayur; Tabrizian, Roozbeh

2018-03-01

A matrix of aluminum-nitride (AlN) waveguides is acoustically engineered to realize electrically isolated phase-synchronous frequency references through nonlinear wave-mixing. AlN rectangular waveguides are cross-coupled through a periodically perforated plate that is engineered to have a wide acoustic bandgap around a desirable frequency ( f1≈509 MHz). While the coupling plate isolates the matrix from resonant vibrations of individual waveguide constituents at f1, it is transparent to the third-order harmonic waves (3f1) that are generated through nonlinear wave-mixing. Therefore, large-signal excitation of the f1 mode in a constituent waveguide generates acoustic waves at 3f1 with an efficiency defined by elastic anharmonicity of the AlN film. The phase-synchronous propagation of the third harmonic through the matrix is amplified by a high quality-factor resonance mode at f2≈1529 MHz, which is sufficiently close to 3f1 (f2 ≅ 3f1). Such an architecture enables realization of frequency-multiplied and phase-synchronous, yet electrically and spectrally isolated, references for multi-band/carrier and spread-spectrum wireless communication systems.

Magnetically coupled flextensional transducer for wideband vibration energy harvesting: Design, modeling and experiments

NASA Astrophysics Data System (ADS)

Zou, Hong-Xiang; Zhang, Wen-Ming; Li, Wen-Bo; Wei, Ke-Xiang; Hu, Kai-Ming; Peng, Zhi-Ke; Meng, Guang

2018-03-01

The combination of nonlinear bistable and flextensional mechanisms has the advantages of wide operating frequency and high equivalent piezoelectric constant. In this paper, three magnetically coupled flextensional vibration energy harvesters (MF-VEHs) are designed from three magnetically coupled vibration systems which utilize a magnetic repulsion, two symmetrical magnetic attractions and multi-magnetic repulsions, respectively. The coupled dynamic models are developed to describe the electromechanical transitions. Simulations under harmonic excitation and random excitation are carried out to investigate the performance of the MF-VEHs with different parameters. Experimental validations of the MF-VEHs are performed under different excitation levels. The experimental results verify that the developed mathematical models can be used to accurately characterize the MF-VEHs for various magnetic coupling modes. A comparison of three MF-VEHs is provided and the results illustrate that a reasonable arrangement of multiple magnets can reduce the threshold excitation intensity and increase the harvested energy.

Anharmonic Vibrational Spectroscopy on Metal Transition Complexes

NASA Astrophysics Data System (ADS)

Latouche, Camille; Bloino, Julien; Barone, Vincenzo

2014-06-01

Advances in hardware performance and the availability of efficient and reliable computational models have made possible the application of computational spectroscopy to ever larger molecular systems. The systematic interpretation of experimental data and the full characterization of complex molecules can then be facilitated. Focusing on vibrational spectroscopy, several approaches have been proposed to simulate spectra beyond the double harmonic approximation, so that more details become available. However, a routine use of such tools requires the preliminary definition of a valid protocol with the most appropriate combination of electronic structure and nuclear calculation models. Several benchmark of anharmonic calculations frequency have been realized on organic molecules. Nevertheless, benchmarks of organometallics or inorganic metal complexes at this level are strongly lacking despite the interest of these systems due to their strong emission and vibrational properties. Herein we report the benchmark study realized with anharmonic calculations on simple metal complexes, along with some pilot applications on systems of direct technological or biological interest.

Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion.

PubMed

Tapavicza, Enrico; Furche, Filipp; Sundholm, Dage

2016-10-11

We present a computational method for simulating vibronic absorption spectra in the ultraviolet-visible (UV-vis) range and apply it to the 7,7,8,8-tetracyanoquinodimethane anion (TCNQ - ), which has been used as a ligand in black absorbers. Gaussian broadening of vertical electronic excitation energies of TCNQ - from linear-response time-dependent density functional theory produces only one band, which is qualitatively incorrect. Thus, the harmonic vibrational modes of the two lowest doublet states were computed, and the vibronic UV-vis spectrum was simulated using the displaced harmonic oscillator approximation, the frequency-shifted harmonic oscillator approximation, and the full Duschinsky formalism. An efficient real-time generating function method was implemented to avoid the exponential complexity of conventional Franck-Condon approaches to vibronic spectra. The obtained UV-vis spectra for TCNQ - agree well with experiment; the Duschinsky rotation is found to have only a minor effect on the spectrum. Born-Oppenheimer molecular dynamics simulations combined with calculations of the electronic excitation energies for a large number of molecular structures were also used for simulating the UV-vis spectrum. The Born-Oppenheimer molecular dynamics simulations yield a broadening of the energetically lowest peak in the absorption spectrum, but additional vibrational bands present in the experimental and simulated quantum harmonic oscillator spectra are not observed in the molecular dynamics simulations. Our results underline the importance of vibronic effects for the UV-vis spectrum of TCNQ - , and they establish an efficient method for obtaining vibronic spectra using a combination of linear-response time-dependent density functional theory and a real-time generating function approach.

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

PubMed

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

2007-09-07

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

Vibrational spectroscopy of (SO42-).(H2O)n clusters, n=1-5: Harmonic and anharmonic calculations and experiment

NASA Astrophysics Data System (ADS)

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

2007-09-01

The vibrational spectroscopy of (SO42-)•(H2O)n is studied by theoretical calculations for n =1-5, and the results are compared with experiments for n =3-5. The calculations use both ab initio MP2 and DFT/B3LYP potential energy surfaces. Both harmonic and anharmonic calculations are reported, the latter with the CC-VSCF method. The main findings are the following: (1) With one exception (H2O bending mode), the anharmonicity of the observed transitions, all in the experimental window of 540-1850cm-1, is negligible. The computed anharmonic coupling suggests that intramolecular vibrational redistribution does not play any role for the observed linewidths. (2) Comparison with experiment at the harmonic level of computed fundamental frequencies indicates that MP2 is significantly more accurate than DFT/B3LYP for these systems. (3) Strong anharmonic effects are, however, calculated for numerous transitions of these systems, which are outside the present observation window. These include fundamentals as well as combination modes. (4) Combination modes for the n=1 and n =2 clusters are computed. Several relatively strong combination transitions are predicted. These show strong anharmonic effects. (5) An interesting effect of the zero point energy (ZPE) on structure is found for (SO42-)•(H2O)5: The global minimum of the potential energy corresponds to a Cs structure, but with incorporation of ZPE the lowest energy structure is C2v, in accordance with experiment. (6) No stable structures were found for (OH-)•(HSO4-)•(H2O)n, for n ⩽5.

Experimental investigation of dynamic performance of a prototype hybrid tuned mass damper under human excitation

NASA Astrophysics Data System (ADS)

Noormohammadi, Nima; Reynolds, Paul

2013-04-01

Current sport stadia designs focus mainly on maximizing audience capacity and providing a clear view for all spectators. Hence, incorporation of one or more cantilevered tiers is typical in these designs. However, employing such cantilevered tiers, usually with relatively low damping and natural frequencies, can make grandstands more susceptible to excitation by human activities. This is caused by the coincidence between the activity frequencies (and their lowest three harmonics) and the structural natural frequencies hence raising the possibility of resonant vibration. This can be both a vibration serviceability and a safety issue. Past solutions to deal with observed or anticipated vibration serviceability problems have been mainly passive methods, such as tuned mass dampers (TMDs). These techniques have exhibited problems such as lack of performance and offtuning caused by human-structure interaction. To address this issue, research is currently underway to investigate the possible application of hybrid TMDs (HTMDs), which are a combination of active and passive control, to improve the vibration serviceability of such structures under human excitation. The work presented here shows a comparative experimental investigation of a passive TMD and a prototype HTMD applied on a slab strip structure. The most effective control algorithm to enhance the performance of the HTMD and also deal with the off-tuning problem is investigated. The laboratory structure used here is an in-situ cast simply-supported post-tensioned slab strip excited by forces from a range of human activities.

Vibration measurement with nonlinear converter in the presence of noise

NASA Astrophysics Data System (ADS)

Mozuras, Almantas

2017-10-01

Conventional vibration measurement methods use the linear properties of physical converters. These methods are strongly influenced by nonlinear distortions, because ideal linear converters are not available. Practically, any converter can be considered as a linear one, when an output signal is very small. However, the influence of noise increases significantly and signal-to-noise ratio decreases at lower signals. When the output signal is increasing, the nonlinear distortions are also augmenting. If the wide spectrum vibration is measured, conventional methods face a harmonic distortion as well as intermodulation effects. Purpose of this research is to develop a measurement method of wide spectrum vibration by using a converter described by a nonlinear function of type f(x), where x =x(t) denotes the dependence of coordinate x on time t due to the vibration. Parameter x(t) describing the vibration is expressed as Fourier series. The spectral components of the converter output f(x(t)) are determined by using Fourier transform. The obtained system of nonlinear equations is solved using the least squares technique that permits to find x(t) in the presence of noise. This method allows one to carry out the absolute or relative vibration measurements. High resistance to noise is typical for the absolute vibration measurement, but it is necessary to know the Taylor expansion coefficients of the function f(x). If the Taylor expansion is not known, the relative measurement of vibration parameters is also possible, but with lower resistance to noise. This method allows one to eliminate the influence of nonlinear distortions to the measurement results, and consequently to eliminate harmonic distortion and intermodulation effects. The use of nonlinear properties of the converter for measurement gives some advantages related to an increased frequency range of the output signal (consequently increasing the number of equations) that allows one to decrease the noise influence on the measurement results. The greater is the nonlinearity the lower is noise. This method enables the use of the converters that are normally not suitable due to the high nonlinearity.

The Molecular Structure of cis-FONO

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Dateo, Christopher E.; Rice, Julia E.; Langhoff, Stephen R. (Technical Monitor)

1994-01-01

The molecular structure of cis-FONO has been determined with the CCSD(T) correlation method using an spdf quality basis set. In agreement with previous coupled-cluster calculations but in disagreement with density functional theory, cis-FONO is found to exhibit normal bond distances. The quadratic and cubic force fields of cis-FONO have also been determined in order to evaluate the effect of vibrational averaging on the molecular geometry. Vibrational averaging is found to increase bond distances, as expected, but it does not affect the qualitative nature of the bonding. The CCSD(T)/spdf harmonic frequencies of cis-FONO support our previous assertion that a band observed at 1200 /cm is a combination band (upsilon(sub 3) + upsilon(sub 4)), and not a fundamental.

Local defect resonance (LDR): A route to highly efficient thermosonic and nonlinear ultrasonic NDT

NASA Astrophysics Data System (ADS)

Solodov, Igor

2014-02-01

The concept of LDR is based on the fact that inclusion of a defect leads to a local drop of rigidity for a certain mass of the material that should manifest in a particular characteristic frequency of the defect. A frequency match between the driving ultrasonic wave and this characteristic frequency provides an efficient energy pumping from the wave directly into the defect. For simulated and realistic defects in various materials the LDR-induced local resonance increase in the vibration amplitude averages up to ˜ (20-40 dB). Due to a strong resonance amplification of the local vibrations, the LDR-driven defects manifest a profound nonlinearity even at moderate ultrasonic excitation level. The nonlinearity combined with resonance results in efficient generation of the higher harmonics and is also used as a filter/amplifier in the frequency mixing mode of nonlinear NDT. The LDR high-Q thermal response enables to realize a frequency-selective imaging with an opportunity to distinguish between different defects by changing the driving frequency. The LDR-thermosonics requires much lower acoustic power to activate defects that makes it possible to avoid high-power ultrasonic instrumentation and proceed to a noncontact ultrasonic thermography by using air-coupled ultrasonic excitation.

Spectroscopic Studies of Molecular Systems relevant in Astrobiology

NASA Astrophysics Data System (ADS)

Fornaro, Teresa

2016-01-01

In the Astrobiology context, the study of the physico-chemical interactions involving "building blocks of life" in plausible prebiotic and space-like conditions is fundamental to shed light on the processes that led to emergence of life on Earth as well as to molecular chemical evolution in space. In this PhD Thesis, such issues have been addressed both experimentally and computationally by employing vibrational spectroscopy, which has shown to be an effective tool to investigate the variety of intermolecular interactions that play a key role in self-assembling mechanisms of nucleic acid components and their binding to mineral surfaces. In particular, in order to dissect the contributions of the different interactions to the overall spectroscopic signals and shed light on the intricate experimental data, feasible computational protocols have been developed for the characterization of the spectroscopic properties of such complex systems. This study has been carried out through a multi-step strategy, starting the investigation from the spectroscopic properties of the isolated nucleobases, then studying the perturbation induced by the interaction with another molecule (molecular dimers), towards condensed phases like the molecular solid, up to the case of nucleic acid components adsorbed on minerals. A proper modeling of these weakly bound molecular systems has required, firstly, a validation of dispersion-corrected Density Functional Theory methods for simulating anharmonic vibrational properties. The isolated nucleobases and some of their dimers have been used as benchmark set for identifying a general, reliable and effective computational procedure based on fully anharmonic quantum mechanical computations of the vibrational wavenumbers and infrared intensities within the generalized second order vibrational perturbation theory (GVPT2) approach, combined with the cost-effective dispersion-corrected density functional B3LYP-D3, in conjunction with basis sets of double-ζ quality such as N07D and SNSD. Such a protocol has been then applied to the dimers of nucleobases in order to study the perturbation on the vibrational frequencies and infrared intensities induced by the intermolecular hydrogen-bonding interactions. Efforts have been made to challenge the problems of simulating strongly anharmonic vibrations within hydrogen-bonded bridges, focusing on the requirement of a very accurate description of the underlying potential energy surface. Improvements for such vibrations have been achieved by means of hybrid models, where the harmonic part of the force-field is computed at a higher level of theory like B2PLYP, or by application of the less demanding ONIOM B2PLYP:B3LYP scheme, which is a focused model where only the part of the molecular system forming the hydrogen bonds is treated at B2PLYP level of theory. Moreover, for improving the vibrational frequencies of modes like the stretching of C=O and N-H functional groups, which are particularly sensitive to hydrogen-bonding, correction parameters for the B3LYP-D3/N07D frequencies have been determined. Afterwards, the treatment of the vibrational properties of nucleobases in condensed phases has been faced, focusing on uracil in the solid state. In particular, a heptamer cluster of uracil molecules has been considered as model to represent the properties in the solid state. The relative vibrational frequencies have been computed at anharmonic level within the VPT2 framework, combining two cost-effective approaches, namely the hybrid B3LYP-D3/N07D:DFTBA model, where the harmonic frequencies are computed with B3LYP-D3/N07D method and the anharmonic corrections are evaluated with the less expensive DFTBA method, and the reduced dimensionality VPT2 (RD-VPT2) approach, in which only selected vibrational modes are calculated anharmonically (including the couplings with the other modes) while the remaining modes are treated at the harmonic level, using the B3LYP-D3/N07D method only. The reliability of such theoretical results has been validated with respect to experiments, by performing infrared measurements of uracil in the solid state through the Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) technique. The good performance in predicting the experimental shifts of the vibrational frequencies of uracil due to the intermolecular hydrogen bonds in the solid state with respect to uracil isolated in Argon matrix, has allowed also to provide some new assignments of the experimental spectrum of uracil in the solid state. Finally, the study of molecule-mineral interactions has been addressed, investigating experimentally the thermodynamics of the adsorption process of nucleic acid components on brucite, a serpentinite-hosted hydrothermal mineral, through determination of the equilibrium adsorption isotherms. Additionally, surface complexation studies have been carried out to get the stoichiometry of surface reactions and the associated electrical work. Such surface complexation modeling has provided reasonable inferences for the possible surface complexes, determining the number of inner/outer-sphere linkages for the adsorbates and the number of surface sites involved in the reaction stoichiometry. However, to distinguish the specific functional groups which constitute the points of attachment to the surface, further quantum mechanical simulations on the energetics of these complexes and spectroscopic characterizations are in progress.

Multiple-source multiple-harmonic active vibration control of variable section cylindrical structures: A numerical study

NASA Astrophysics Data System (ADS)

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

2016-12-01

Air vehicles, space vehicles and underwater vehicles, the cabins of which can be viewed as variable section cylindrical structures, have multiple rotational vibration sources (e.g., engines, propellers, compressors and motors), making the spectrum of noise multiple-harmonic. The suppression of such noise has been a focus of interests in the field of active vibration control (AVC). In this paper, a multiple-source multiple-harmonic (MSMH) active vibration suppression algorithm with feed-forward structure is proposed based on reference amplitude rectification and conjugate gradient method (CGM). An AVC simulation scheme called finite element model in-loop simulation (FEMILS) is also proposed for rapid algorithm verification. Numerical studies of AVC are conducted on a variable section cylindrical structure based on the proposed MSMH algorithm and FEMILS scheme. It can be seen from the numerical studies that: (1) the proposed MSMH algorithm can individually suppress each component of the multiple-harmonic noise with an unified and improved convergence rate; (2) the FEMILS scheme is convenient and straightforward for multiple-source simulations with an acceptable loop time. Moreover, the simulations have similar procedure to real-life control and can be easily extended to physical model platform.

A fast and accurate frequency estimation algorithm for sinusoidal signal with harmonic components

NASA Astrophysics Data System (ADS)

Hu, Jinghua; Pan, Mengchun; Zeng, Zhidun; Hu, Jiafei; Chen, Dixiang; Tian, Wugang; Zhao, Jianqiang; Du, Qingfa

2016-10-01

Frequency estimation is a fundamental problem in many applications, such as traditional vibration measurement, power system supervision, and microelectromechanical system sensors control. In this paper, a fast and accurate frequency estimation algorithm is proposed to deal with low efficiency problem in traditional methods. The proposed algorithm consists of coarse and fine frequency estimation steps, and we demonstrate that it is more efficient than conventional searching methods to achieve coarse frequency estimation (location peak of FFT amplitude) by applying modified zero-crossing technique. Thus, the proposed estimation algorithm requires less hardware and software sources and can achieve even higher efficiency when the experimental data increase. Experimental results with modulated magnetic signal show that the root mean square error of frequency estimation is below 0.032 Hz with the proposed algorithm, which has lower computational complexity and better global performance than conventional frequency estimation methods.

Ratchet flow of thin liquid films induced by a two-frequency tangential forcing

NASA Astrophysics Data System (ADS)

Sterman-Cohen, Elad; Bestehorn, Michael; Oron, Alexander

2018-02-01

A possibility of saturating Rayleigh-Taylor instability in a thin liquid film on the underside of a substrate in the gravity field by harmonic vibration of the substrate was recently investigated [E. Sterman-Cohen, M. Bestehorn, and A. Oron, Phys. Fluids 29, 052105 (2017); Erratum, Phys. Fluids 29, 109901 (2017)]. In the present work, we investigate the feasibility of creating a directional flow of the fluid in a film in the Rayleigh-Taylor configuration and controlling its flow rate by applying a two-frequency tangential forcing to the substrate. It is shown that in this situation, a ratchet flow develops, and the dependence of its flow rate on the vibration frequency, amplitude, its periodicity, and asymmetry level is investigated for water and silicone-oil films. A cause for the emergence of symmetry-breaking and an ensuing flow in a preferred direction is discussed. Some aspects of a ratchet flow in a liquid film placed on top of the substrate are discussed as well. A comparison with the case of a neglected fluid inertia is made, and the differences are explained.

Faraday wave patterns on a square cell network

NASA Astrophysics Data System (ADS)

Peña-Polo, Franklin; Vargas, Carlos A.; Vásquez-González, Benjamín; Medina, Abraham; Trujillo, Leonardo; Klapp, Jaime; Sigalotti, Leonardo Di G.

2017-05-01

We present the experimental observations of the Faraday instability when the vibrated liquid is contained in a network of small square cells for exciting frequencies in the range 10≤ F≤ 24 Hz. A sweep of the parameter space has been performed to investigate the amplitudes and frequencies of the driving force for which different patterns form over the network. Regular patterns in the form of square lattices are observed for driving frequencies in the range 10≤ F<14 Hz, while ordered matrices of oscillons are formed for 1423 Hz, disordered periodic patterns appear within individual cells for a small range of amplitudes. In this case, the wave field is dominated by oscillating blobs that interact on the capillary-gravity scale. A Pearson correlation analysis of the recorded videos shows that for all ordered patterns, the surface waves are periodic and correspond to Faraday waves of dominant frequency equal to half the excitation frequency (i.e., f=F/2). In contrast, the oscillons formed for 1423 Hz are not subharmonic and correspond to periodic harmonic waves with f=nF/2 (for n=2,4,\\ldots ). We find that the experimentally determined minimum forcing necessary to destabilize the rest state and generate surface waves is consistent with a recent stability analysis of stationary solutions as derived from a new dispersion relation for time-periodic waves with nonzero forcing and dissipation.

Experiments on Laser Beam Jitter Control with Applications to a Shipboard Free Electron Laser

DTIC Science & Technology

2007-12-01

factor one half converts from peak to rms values. This psd was then converted to units of ( mrms /s2)2/Hz by dividing by the square of the given voltage...the root mean square value in units of mrms for a given frequency range. (3) Vibration Measurement Results. The total displacement from 1-400 Hz...The mass may represent, for example, a component of an FEL. The support, s, is harmonically excited at a peak displacement amplitude of xs. The

Extended aeroelastic analysis for helicopter rotors with prescribed hub motion and blade appended penduluum vibration absorbers

NASA Technical Reports Server (NTRS)

Bielawa, R. L.

1984-01-01

The mathematical development for the expanded capabilities of the G400 rotor aeroelastic analysis was examined. The G400PA expanded analysis simulates the dynamics of all conventional rotors, blade pendulum vibration absorbers, and the higher harmonic excitations resulting from prescribed vibratory hub motions and higher harmonic blade pitch control. The methodology for modeling the unsteady stalled airloads of two dimensional airfoils is discussed. Formulations for calculating the rotor impedance matrix appropriate to the higher harmonic blade excitations are outlined. This impedance matrix, and the associated vibratory hub loads, are the rotor dynamic characteristic elements for use in the simplified coupled rotor/fuselage vibration analysis (SIMVIB). Updates to the development of the original G400 theory, program documentation, user instructions and information are presented.

The method of perturbation-harmonic balance for analysing nonlinear free vibration of MDOF systems and structures

NASA Astrophysics Data System (ADS)

Tang, Qiangang; Sun, Shixian

1992-03-01

In this paper, the perturbation technique is introduced into the method of harmonic balance. A new method used for analyzing nonlinear free vibration of multidegree-of-freedom systems and structures is obtained. The form of solution is expanded into a series of small parameters and harmonics, so no term will be lost in the solution and the algebraic equations are linear. With the linear transformations, the matrices of the equations become diagonal. As soon as the modes related to linear vibration are found, the solution can be obtained. This method is superior to the method of linearized iteration. The examples show that the method has high accuracy for small-amplitude problems and the results for rather large amplitudes are satisfactory.

Optimal apparent damping as a function of the bandwidth of an array of vibration absorbers.

PubMed

Vignola, Joseph; Glean, Aldo; Judge, John; Ryan, Teresa

2013-08-01

The transient response of a resonant structure can be altered by the attachment of one or more substantially smaller resonators. Considered here is a coupled array of damped harmonic oscillators whose resonant frequencies are distributed across a frequency band that encompasses the natural frequency of the primary structure. Vibration energy introduced to the primary structure, which has little to no intrinsic damping, is transferred into and trapped by the attached array. It is shown that, when the properties of the array are optimized to reduce the settling time of the primary structure's transient response, the apparent damping is approximately proportional to the bandwidth of the array (the span of resonant frequencies of the attached oscillators). Numerical simulations were conducted using an unconstrained nonlinear minimization algorithm to find system parameters that result in the fastest settling time. This minimization was conducted for a range of system characteristics including the overall bandwidth of the array, the ratio of the total array mass to that of the primary structure, and the distributions of mass, stiffness, and damping among the array elements. This paper reports optimal values of these parameters and demonstrates that the resulting minimum settling time decreases with increasing bandwidth.

Influence of external extrusion on stability of hydrogen molecule and its chaotic behavior

NASA Astrophysics Data System (ADS)

Jarosik, M. W.; SzczÈ©śniak, R.; Durajski, A. P.; Kalaga, J. K.; Leoński, W.

2018-01-01

We have determined the stability conditions of the hydrogen molecule under the influence of an external force of harmonic-type explicitly dependent on the amplitude (A) and frequency (Ω). The ground state of the molecule has been determined in the framework of the Born-Oppenheimer approximation, whereas the energy of the electronic subsystem has been calculated using the Hubbard model including all two-site electron interactions. The diagram of RT0(A ,Ω) , where RT0 denotes the distance between protons after the fixed initial time T0, allowed us to visualize the area of the instability with the complicated structure. We have shown that the vibrations of the hydrogen molecule have a chaotic nature for some points of the instability region. In addition to the amplitude and frequency of the extrusion, the control parameter of the stability of the molecule is the external force associated with pressure. The increase in its value causes the disappearance of the area of the instability and chaotic vibrations.

New Hybridized Surface Wave Approach for Geotechnical Modeling of Shear Wave Velocity at Strong Motion Recording Stations

NASA Astrophysics Data System (ADS)

Kayen, R.; Carkin, B.; Minasian, D.

2006-12-01

Strong motion recording (SMR) networks often have little or no shear wave velocity measurements at stations where characterization of site amplification and site period effects is needed. Using the active Spectral Analysis of Surface Waves (SASW) method, and passive H/V microtremor method we have investigated nearly two hundred SMR sites in California, Alaska, Japan, Australia, China and Taiwan. We are conducting these studies, in part, to develop a new hybridized method of site characterization that utilizes a parallel array of harmonic-wave sources for active-source SASW, and a single long period seismometer for passive-source microtremor measurement. Surface wave methods excel in their ability to non-invasively and rapidly characterize the variation of ground stiffness properties with depth below the surface. These methods are lightweight, inexpensive to deploy, and time-efficient. They have been shown to produce accurate and deep soil stiffness profiles. By placing and wiring shakers in a large parallel circuit, either side-by-side on the ground or in a trailer-mounted array, a strong in-phase harmonic wave can be produced. The effect of arraying many sources in parallel is to increase the amplitude of waves received at far-away spaced seismometers at low frequencies so as to extend the longest wavelengths of the captured dispersion curve. The USGS system for profiling uses this concept by arraying between two and eight electro-mechanical harmonic-wave shakers. With large parallel arrays of vibrators, a dynamic force in excess of 1000 lb can be produced to vibrate the ground and produce surface waves. We adjust the harmonic wave through a swept-sine procedure to profile surface wave dispersion down to a frequency of 1 Hz and out to surface wave-wavelengths of 200-1000 meters, depending on the site stiffness. The parallel-array SASW procedure is augmented using H/V microtremor data collected with the active source turned off. Passive array microtremor data reveal the natural and resonance characteristics of the ground by capturing persistent natural vibrations. These microtremors are the result of the interaction of surface waves arriving from distant sources and the stiffness structure of the site under investigation. As such, these resonance effects are effective in constraining the layer thicknesses of the SASW shear wave velocity structure and aid in determining the depth of the deepest layer. Together, the hybridized SASW and H/V procedure provides a complete data set for modeling the geotechnical aspects of ground amplification of earthquake motions. Data from these investigations are available at http://walrus.wr.usgs.gov/geotech.

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.

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.

Ab Initio Anharmonic Analysis of Vibrational Spectra of Uracil Using the Numerical-Analytic Implementation of Operator Van Vleck Perturbation Theory.

PubMed

Krasnoshchekov, Sergey V; Vogt, Natalja; Stepanov, Nikolay F

2015-06-25

The numerical-analytic implementation of the operator version of the canonical Van Vleck second-order vibrational perturbation theory (CVPT2) is employed for a purely ab initio prediction and interpretation of the infrared (IR) and Raman anharmonic spectra of a medium-size molecule of the diketo tautomer of uracil (2,4(1H,3H)-pyrimidinedione), which has high biological importance as one of the four RNA nucleobases. A nonempirical, semidiagonal quartic potential energy surface (PES) expressed in normal coordinates was evaluated at the MP2/cc-pVTZ level of theory. The quality of the PES was improved by replacing the harmonic frequencies with the "best" estimated CCSD(T)-based values taken from the literature. The theoretical method is enhanced by an accurate treatment of multiple Fermi and Darling-Dennison resonances with evaluation of the corresponding resonance constants W and K (CVPT2+WK method). A prediction of the anharmonic frequencies as well as IR and Raman intensities was used for a detailed interpretation of the experimental spectra of uracil. Very good agreement between predicted and observed vibrational frequencies has been achieved (RMSD ∼4.5 cm(-1)). The model employed gave a theoretically robust treatment of the multiple resonances in the 1680-1790 cm(-1) region. Our new analysis gives the most reliable reassignments of IR and Raman spectra of uracil available to date.

Theoretical characterization of the F(2)O(3) molecule by coupled-cluster methods.

PubMed

Huang, Ming-Ju; Watts, John D

2010-09-23

Coupled-cluster calculations with extended basis sets that include noniterative connected triple excitations (CCSD(T)) have been used to study the FOOOF isomer of F(2)O(3). Second-order Moller-Plessett perturbation theory (MP2) and density-functional theory (B3LYP functional) calculations have also been performed for comparison. Two local minima of similar energy, namely, conformers of C(2) and C(s) symmetry have been located. Structures, harmonic vibrational frequencies, and standard enthalpies and free energies of formation have been calculated. The calculated bond lengths of F(2)O(3) are more characteristic of those in F(2)O and a "normal" peroxide than the unusual bond lengths in F(2)O(2). Both conformers have equal F-O and O-O bond lengths, contrary to a recent suggestion of an unsymmetrical structure. The harmonic vibrational frequencies can aid possible identification of gaseous F(2)O(3). The calculated Δ(f)H° and Δ(f)G° are 110 and 173 kJ mol(-1), respectively. These values are based on extrapolation of CCSD(T) results with augmented triple- and quadruple-ζ basis sets and are expected to be within chemical accuracy (i.e., 1 kcal mol(-1) or 4 kJ mol(-1)). F(2)O(3) is calculated to be stable to decomposition to either FO + FOO or F(2) + O(3), but unstable to decomposition to its elements, to F(2)O(2) + (1)/(2)O(2), and to F(2)O + O(2).

Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations

NASA Astrophysics Data System (ADS)

Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

2015-04-01

A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of Carbamazepine.

Approximate solution of the mode-mode coupling integral: Application to cytosine and its deuterated derivative.

PubMed

Rasheed, Tabish; Ahmad, Shabbir

2010-10-01

Ab initio Hartree-Fock (HF), density functional theory (DFT) and second-order Møller-Plesset (MP2) methods were used to perform harmonic and anharmonic calculations for the biomolecule cytosine and its deuterated derivative. The anharmonic vibrational spectra were computed using the vibrational self-consistent field (VSCF) and correlation-corrected vibrational self-consistent field (CC-VSCF) methods. Calculated anharmonic frequencies have been compared with the argon matrix spectra reported in literature. The results were analyzed with focus on the properties of anharmonic couplings between pair of modes. A simple and easy to use formula for calculation of mode-mode coupling magnitudes has been derived. The key element in present approach is the approximation that only interactions between pairs of normal modes have been taken into account, while interactions of triples or more are neglected. FTIR and Raman spectra of solid state cytosine have been recorded in the regions 400-4000 cm(-1) and 60-4000 cm(-1), respectively. Vibrational analysis and assignments are based on calculated potential energy distribution (PED) values. Copyright 2010 Elsevier B.V. All rights reserved.

Benchmark solution for vibrations from a moving point source in a tunnel embedded in a half-space

NASA Astrophysics Data System (ADS)

Yuan, Zonghao; Boström, Anders; Cai, Yuanqiang

2017-01-01

A closed-form semi-analytical solution for the vibrations due to a moving point load in a tunnel embedded in a half-space is given in this paper. The tunnel is modelled as an elastic hollow cylinder and the ground surrounding the tunnel as a linear viscoelastic material. The total wave field in the half-space with a cylindrical hole is represented by outgoing cylindrical waves and down-going plane waves. To apply the boundary conditions on the ground surface and at the tunnel-soil interface, the transformation properties between the plane and cylindrical wave functions are employed. The proposed solution can predict the ground vibration from an underground railway tunnel of circular cross-section with a reasonable computational effort and can serve as a benchmark solution for other computational methods. Numerical results for the ground vibrations on the free surface due to a moving constant load and a moving harmonic load applied at the tunnel invert are presented for different load velocities and excitation frequencies. It is found that Rayleigh waves play an important role in the ground vibrations from a shallow tunnel.

World Record Magnetic Field 100T

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

McDonald, Ross; Mielke, Chuck; Rickel, Dwight

2012-03-22

Scientists at the Los Alamos National Laboratory campus of the National High Magnetic Field Laboratory have successfully produced the world's first 100 Tesla non-destructive magnetic field. The achievement was decades in the making, involving a diverse team of scientists and engineers. The 100 Tesla mark was reached at approximately 3:30 p.m. on March 22, 2012. A note about the sound you'll hear when the magnet is energized: The sound that the 100 T multi-shot magnet makes is due to the electrical current modulation from the 3 phase power converters (known as 12 pulse converters) and the harmonics associated with themore » chopping of the sinusoidal input power. The magnet vibrates at the electrical current frequencies multiplied by 12 (i.e. ~ 55 Hz x 12 = 660 Hz) hence making an audible sound. The generator is not run at full speed (1650 RPM instead of 1800 RPM) so the frequency is slightly lower than US Line frequency (i.e. 55 Hz instead of 60 Hz). A spectrograph of the sound from the magnet pulse shows the multiple harmonics as reddish horizontal bands as a function of time.« less

Investigation of optimal method for inducing harmonic motion in tissue using a linear ultrasound phased array--a simulation study.

PubMed

Heikkilä, Janne; Hynynen, Kullervo

2006-04-01

Many noninvasive ultrasound techniques have been developed to explore mechanical properties of soft tissues. One of these methods, Localized Harmonic Motion Imaging (LHMI), has been proposed to be used for ultrasound surgery monitoring. In LHMI, dynamic ultrasound radiation-force stimulation induces displacements in a target that can be measured using pulse-echo imaging and used to estimate the elastic properties of the target. In this initial, simulation study, the use of a one-dimensional phased array is explored for the induction of the tissue motion. The study compares three different dual-frequency and amplitude-modulated single-frequency methods for the inducing tissue motion. Simulations were computed in a homogeneous soft-tissue volume. The Rayleigh integral was used in the simulations of the ultrasound fields and the tissue displacements were computed using a finite-element method (FEM). The simulations showed that amplitude-modulated sonication using a single frequency produced the largest vibration amplitude of the target tissue. These simulations demonstrate that the properties of the tissue motion are highly dependent on the sonication method and that it is important to consider the full three-dimensional distribution of the ultrasound field for controlling the induction of tissue motion.

High-order-harmonic generation from H2+ molecular ions near plasmon-enhanced laser fields

NASA Astrophysics Data System (ADS)

Yavuz, I.; Tikman, Y.; Altun, Z.

2015-08-01

Simulations of plasmon-enhanced high-order-harmonic generation are performed for a H2+ molecular cation near the metallic nanostructures. We employ the numerical solution of the time-dependent Schrödinger equation in reduced coordinates. We assume that the main axis of H2+ is aligned perfectly with the polarization direction of the plasmon-enhanced field. We perform systematic calculations on plasmon-enhanced harmonic generation based on an infinite-mass approximation, i.e., pausing nuclear vibrations. Our simulations show that molecular high-order-harmonic generation from plasmon-enhanced laser fields is possible. We observe the dispersion of a plateau of harmonics when the laser field is plasmon enhanced. We find that the maximum kinetic energy of the returning electron follows 4 Up . We also find that when nuclear vibrations are enabled, the efficiency of the harmonics is greatly enhanced relative to that of static nuclei. However, the maximum kinetic energy 4 Up is largely maintained.

Propeller modelling effects on interior noise in cylindrical cavities with application to active control

NASA Technical Reports Server (NTRS)

Silcox, R. J.; Lester, H. C.

1989-01-01

The coupling of a vibrating finite elastic cylinder and its interior cavity, closed with rigid end caps, is examined. Results are presented for several types of excitation including a point force, a single external acoustic monopole, and an array of external monopoles. Modal spectra are examined for a frequency range typical of the harmonic noise produced by advanced turbo-props. The effect of frequency and source distribution on modal content is presented. Significant interface modal filtering, which would have a beneficial impact on an active system for reducing interior noise, was found to occur for all cases. Some preliminary experimental data for a stiffened, composite cylinder are presented and discussed.

Theoretical and experimental studies on vibrational and nonlinear optic properties of guanidinium 3-nitrobenzoate. Differences and similarity between guanidinium 3-nitrobenzoate and guanidinium 4-nitrobenzoate complexes

NASA Astrophysics Data System (ADS)

Drozd, Marek

2018-03-01

According to literature data two structures of guanidine with nitrobenzoic acids are known. For guanidinium 4-nitrobenzoate the detailed studies of X-ray structure, vibrational and theoretical properties were performed. This compound was classified as second harmonic generator with efficiency of 3.3 times that KDP, standard crystal. On the contrary to mentioned above results for the guanidinium 3-nitrobenzoate the basic X-ray diffraction study was performed, only. On the basis of established crystallographic results, the detailed investigation of geometry and vibrational properties were made on the basis of theoretical calculation. According to this data the equilibrium geometry of investigated molecule was established. On the basis of this calculation the detailed computational studies of vibrational properties were performed. The theoretical IR and Raman frequencies, intensities and PED analysis are presented. Additionally, the NBO charges, HOMO and LUMO shapes and NLO properties of titled crystal were calculated. On the basis of these results the crystal was classified as second order generator in NLO but with bigger efficiency that guanidinium 4-nitorobenzoate compound. The obtained data are compared with experimental crystallographic and vibrational results for real crystal of guanidinium 3-nitrobenzoate. Additionally, the theoretical vibrational spectra are compared with literature calculations of guanidinium 4-nitrobenzoate compound.

Frictional-faulting model for harmonic tremor before Redoubt Volcano eruptions

NASA Astrophysics Data System (ADS)

Dmitrieva, Ksenia; Hotovec-Ellis, Alicia J.; Prejean, Stephanie; Dunham, Eric M.

2013-08-01

Seismic unrest, indicative of subsurface magma transport and pressure changes within fluid-filled cracks and conduits, often precedes volcanic eruptions. An intriguing form of volcano seismicity is harmonic tremor, that is, sustained vibrations in the range of 0.5-5Hz. Many source processes can generate harmonic tremor. Harmonic tremor in the 2009 eruption of Redoubt Volcano, Alaska, has been linked to repeating earthquakes of magnitudes around 0.5-1.5 that occur a few kilometres beneath the vent. Before many explosions in that eruption, these small earthquakes occurred in such rapid succession--up to 30 events per second--that distinct seismic wave arrivals blurred into continuous, high-frequency tremor. Tremor abruptly ceased about 30 s before the explosions. Here we introduce a frictional-faulting model to evaluate the credibility and implications of this tremor mechanism. We find that the fault stressing rates rise to values ten orders of magnitude higher than in typical tectonic settings. At that point, inertial effects stabilize fault sliding and the earthquakes cease. Our model of the Redoubt Volcano observations implies that the onset of volcanic explosions is preceded by active deformation and extreme stressing within a localized region of the volcano conduit, at a depth of several kilometres.

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

Xu, W.; Zhu, W. D.; Smith, S. A.

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations

NASA Astrophysics Data System (ADS)

Sørensen, L. K.; Fleig, T.; Olsen, J.

2009-08-01

Aimed at obtaining complete and highly accurate potential energy surfaces for molecules containing heavy elements, we present a new general-order coupled cluster method which can be applied in the framework of the spin-free Dirac formalism. As an initial application we present a systematic study of electron correlation and relativistic effects on the spectroscopic and electric properties of the LiCs molecule in its electronic ground state. In particular, we closely investigate the importance of excitations higher than coupled cluster doubles, spin-free and spin-dependent relativistic effects and the correlation of outer-core electrons on the equilibrium bond length, the harmonic vibrational frequency, the dissociation energy, the dipole moment and the static electric dipole polarizability. We demonstrate that our new implementation allows for highly accurate calculations not only in the bonding region but also along the complete potential curve. The quality of our results is demonstrated by a vibrational analysis where an almost complete set of vibrational levels has been calculated accurately.

Development of panel loudspeaker system: design, evaluation and enhancement.

PubMed

Bai, M R; Huang, T

2001-06-01

Panel speakers are investigated in terms of structural vibration and acoustic radiation. A panel speaker primarily consists of a panel and an inertia exciter. Contrary to conventional speakers, flexural resonance is encouraged such that the panel vibrates as randomly as possible. Simulation tools are developed to facilitate system integration of panel speakers. In particular, electro-mechanical analogy, finite element analysis, and fast Fourier transform are employed to predict panel vibration and the acoustic radiation. Design procedures are also summarized. In order to compare the panel speakers with the conventional speakers, experimental investigations were undertaken to evaluate frequency response, directional response, sensitivity, efficiency, and harmonic distortion of both speakers. The results revealed that the panel speakers suffered from a problem of sensitivity and efficiency. To alleviate the problem, a woofer using electronic compensation based on H2 model matching principle is utilized to supplement the bass response. As indicated in the result, significant improvement over the panel speaker alone was achieved by using the combined panel-woofer system.

Study of V-OTDR stability for dynamic strain measurement in piezoelectric vibration

NASA Astrophysics Data System (ADS)

Ren, Meiqi; Lu, Ping; Chen, Liang; Bao, Xiaoyi

2016-09-01

In a phase-sensitive optical-time domain reflectometry (Φ-OTDR) system, the challenge for dynamic strain measurement lies in large intensity fluctuations from trace to trace. The intensity fluctuation caused by stochastic characteristics of Rayleigh backscattering sets detection limit for the minimum strength of vibration measurement and causes the large measurement uncertainty. Thus, a trace-to-trace correlation coefficient is introduced to quantify intensity fluctuation of Φ-OTDR traces and stability of the sensor system theoretically and experimentally. A novel approach of measuring dynamic strain induced by various driving voltages of lead zirconate titanate (PZT) in Φ-OTDR is also demonstrated. Piezoelectric vibration signals are evaluated through analyzing peak values of fast Fourier transform spectra at the fundamental frequency and high-order harmonics based on Bessel functions. High trace-to-trace correlation coefficients varying from 0.824 to 0.967 among 100 measurements are obtained in experimental results, showing the good stability of our sensor system, as well as small uncertainty of measured peak values.

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

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

Experiments and numerical simulations of nonlinear vibration responses of an assembly with friction joints - Application on a test structure named "Harmony"

NASA Astrophysics Data System (ADS)

Claeys, M.; Sinou, J.-J.; Lambelin, J.-P.; Todeschini, R.

2016-03-01

In presence of friction, the frequency response function of a metallic assembly is strongly dependent on the excitation level. The local stick-slip behavior at the friction interfaces induces energy dissipation and local stiffness softening. These phenomena are studied both experimentally and numerically on a test structure named "Harmony". Concerning the numerical part, a classical complete methodology from the finite element and friction modeling to the prediction of the nonlinear vibrational response is implemented. The well-known Harmonic Balance Method with a specific condensation process on the nonlinear frictional elements is achieved. Also, vibration experiments are performed to validate not only the finite element model of the test structure named "Harmony" at low excitation levels but also to investigate the nonlinear behavior of the system on several excitation levels. A scanning laser vibrometer is used to measure the nonlinear behavior and the local stick-slip movement near the contacts.

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: A DFT computational study

NASA Astrophysics Data System (ADS)

Tanak, Hasan; Marchewka, Mariusz K.; Drozd, Marek

2013-03-01

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of Nsbnd H⋯O, Nsbnd H⋯N and Osbnd H⋯O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion.

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: a DFT computational study.

PubMed

Tanak, Hasan; Marchewka, Mariusz K; Drozd, Marek

2013-03-15

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of N-H···O, N-H···N and O-H···O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion. Copyright © 2012 Elsevier B.V. All rights reserved.

Multiple-mode nonlinear free and forced vibrations of beams using finite element method

NASA Technical Reports Server (NTRS)

Mei, Chuh; Decha-Umphai, Kamolphan

1987-01-01

Multiple-mode nonlinear free and forced vibration of a beam is analyzed by the finite element method. The geometric nonlinearity is investigated. Inplane displacement and inertia (IDI) are also considered in the formulation. Harmonic force matrix is derived and explained. Nonlinear free vibration can be simply treated as a special case of the general forced vibration by setting the harmonic force matrix equal to zero. The effect of the higher modes is more pronouced for the clamped supported beam than the simply supported one. Beams without IDI yield more effect of the higher modes than the one with IDI. The effects of IDI are to reduce nonlinearity. For beams with end supports restrained from axial movement (immovable cases), only the hardening type nonlinearity is observed. However, beams of small slenderness ratio (L/R = 20) with movable end supports, the softening type nonlinearity is found. The concentrated force case yields a more severe response than the uniformly distributed force case. Finite element results are in good agreement with the solution of simple elliptic response, harmonic balance method, and Runge-Kutte method and experiment.

Experimental analysis of the dynamical response of energy harvesting devices based on bistable laminated plates.

PubMed

Syta, A; Bowen, C R; Kim, H A; Rysak, A; Litak, G

The use of bistable laminates is a potential approach to realize broadband piezoelectric based energy harvesting systems. In this paper the dynamic response of a piezoelectric material attached to a bistable laminate plate is examined based on the experimental generated voltage time series. The system was subjected to harmonic excitations and exhibited single-well and snap-through vibrations of both periodic and chaotic character. To identify the dynamics of the system response we examined the frequency spectrum, bifurcation diagrams, phase portraits, and the 0-1 test.

Generalized Grueneisen tensor from solid nonlinearity parameters

NASA Technical Reports Server (NTRS)

Cantrell, J. H., Jr.

1980-01-01

Anharmonic effects in solids are often described in terms of generalized Grueneisen parameters which measure the strain dependence of the lattice vibrational frequencies. The relationship between these parameters and the solid nonlinearity parameters measured directly in ultrasonic harmonic generation experiments is derived using an approach valid for normal-mode elastic wave propagation in any crystalline direction. The resulting generalized Grueneisen parameters are purely isentropic in contrast to the Brugger-Grueneisen parameters which are of a mixed thermodynamic state. Experimental data comparing the isentropic generalized Grueneisen parameters and the Brugger-Grueneisen parameters are presented.

FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone

NASA Astrophysics Data System (ADS)

Mariappan, G.; Sundaraganesan, N.

2014-04-01

Vibrational assignments for the 7-amino-2-methylchromone (abbreviated as 7A2MC) molecule using a combination of experimental vibrational spectroscopic measurements and ab initio computational methods are reported. The optimized geometry, intermolecular hydrogen bonding, first order hyperpolarizability and harmonic vibrational wavenumbers of 7A2MC have been investigated with the help of B3LYP density functional theory method. The calculated molecular geometry parameters, the theoretically computed vibrational frequencies for monomer and dimer and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-31 + G(d,p) basis set were found to yield results that are very comparable to experimental IR and Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program. Natural Bond Orbital (NBO) study revealed the characteristics of the electronic delocalization of the molecular structure. 13C and 1H NMR spectra have been recorded and 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method. Furthermore, All the possible calculated values are analyzed using correlation coefficients linear fitting equation and are shown strong correlation with the experimental data.

Cause-effect relationship between vocal fold physiology and voice production in a three-dimensional phonation model

PubMed Central

Zhang, Zhaoyan

2016-01-01

The goal of this study is to better understand the cause-effect relation between vocal fold physiology and the resulting vibration pattern and voice acoustics. Using a three-dimensional continuum model of phonation, the effects of changes in vocal fold stiffness, medial surface thickness in the vertical direction, resting glottal opening, and subglottal pressure on vocal fold vibration and different acoustic measures are investigated. The results show that the medial surface thickness has dominant effects on the vertical phase difference between the upper and lower margins of the medial surface, closed quotient, H1-H2, and higher-order harmonics excitation. The main effects of vocal fold approximation or decreasing resting glottal opening are to lower the phonation threshold pressure, reduce noise production, and increase the fundamental frequency. Increasing subglottal pressure is primarily responsible for vocal intensity increase but also leads to significant increase in noise production and an increased fundamental frequency. Increasing AP stiffness significantly increases the fundamental frequency and slightly reduces noise production. The interaction among vocal fold thickness, stiffness, approximation, and subglottal pressure in the control of F0, vocal intensity, and voice quality is discussed. PMID:27106298

A study of the structure of the ν1(HF) absorption band of the СH3СN…HF complex

NASA Astrophysics Data System (ADS)

Gromova, E. I.; Glazachev, E. V.; Bulychev, V. P.; Koshevarnikov, A. M.; Tokhadze, K. G.

2015-09-01

The ν1(HF) absorption band shape of the CH3CN…HF complex is studied in the gas phase at a temperature of 293 K. The spectra of gas mixtures CH3CN/HF are recorded in the region of 4000-3400 cm-1 at a resolution from 0.1 to 0.005 cm-1 with a Bruker IFS-120 HR vacuum Fourier spectrometer in a cell 10 cm in length with wedge-shaped sapphire windows. The procedure used to separate the residual water absorption allows more than ten fine-structure bands to be recorded on the low-frequency wing of the ν1(HF) band. It is shown that the fine structure of the band is formed primarily due to hot transitions from excited states of the low-frequency ν7 librational vibration. Geometrical parameters of the equilibrium nuclear configuration, the binding energy, and the dipole moment of the complex are determined from a sufficiently accurate quantum-chemical calculation. The frequencies and intensities for a number of spectral transitions of this complex are obtained in the harmonic approximation and from variational solutions of anharmonic vibrational problems.

Coherent control of acoustic vibrations in metal nanoparticles and thin films with sequences of femtosecond pulses: Harmonic-oscillator model

NASA Astrophysics Data System (ADS)

Zheltikov, A. M.

2002-08-01

A harmonic oscillator model is used to demonstrate the possibility of coherent control of acoustic vibrations of metal nanoparticles and thin films with sequences of femtosecond laser pulses. When the interval between the pulses in such a sequence is chosen equal to the oscillation period of the expansion mode of a nanoscale system, the relevant acoustic vibrations can be excited in a resonant and selective way. Sequences of femtosecond pulses with picosecond time intervals between the pulses are shown to be ideally suited for a resonant excitation and coherent control of acoustic modes of silver nanoparticles.

Free response approach in a parametric system

NASA Astrophysics Data System (ADS)

Huang, Dishan; Zhang, Yueyue; Shao, Hexi

2017-07-01

In this study, a new approach to predict the free response in a parametric system is investigated. It is proposed in the special form of a trigonometric series with an exponentially decaying function of time, based on the concept of frequency splitting. By applying harmonic balance, the parametric vibration equation is transformed into an infinite set of homogeneous linear equations, from which the principal oscillation frequency can be computed, and all coefficients of harmonic components can be obtained. With initial conditions, arbitrary constants in a general solution can be determined. To analyze the computational accuracy and consistency, an approach error function is defined, which is used to assess the computational error in the proposed approach and in the standard numerical approach based on the Runge-Kutta algorithm. Furthermore, an example of a dynamic model of airplane wing flutter on a turbine engine is given to illustrate the applicability of the proposed approach. Numerical solutions show that the proposed approach exhibits high accuracy in mathematical expression, and it is valuable for theoretical research and engineering applications of parametric systems.

An investigation of adaptive controllers for helicopter vibration and the development of a new dual controller

NASA Technical Reports Server (NTRS)

Mookerjee, P.; Molusis, J. A.; Bar-Shalom, Y.

1985-01-01

An investigation of the properties important for the design of stochastic adaptive controllers for the higher harmonic control of helicopter vibration is presented. Three different model types are considered for the transfer relationship between the helicopter higher harmonic control input and the vibration output: (1) nonlinear; (2) linear with slow time varying coefficients; and (3) linear with constant coefficients. The stochastic controller formulations and solutions are presented for a dual, cautious, and deterministic controller for both linear and nonlinear transfer models. Extensive simulations are performed with the various models and controllers. It is shown that the cautious adaptive controller can sometimes result in unacceptable vibration control. A new second order dual controller is developed which is shown to modify the cautious adaptive controller by adding numerator and denominator correction terms to the cautious control algorithm. The new dual controller is simulated on a simple single-control vibration example and is found to achieve excellent vibration reduction and significantly improves upon the cautious controller.

Structural Damage Detection Using Slopes of Longitudinal Vibration Shapes

DOE PAGES

Xu, W.; Zhu, W. D.; Smith, S. A.; ...

2016-03-18

While structural damage detection based on flexural vibration shapes, such as mode shapes and steady-state response shapes under harmonic excitation, has been well developed, little attention is paid to that based on longitudinal vibration shapes that also contain damage information. This study originally formulates a slope vibration shape for damage detection in bars using longitudinal vibration shapes. To enhance noise robustness of the method, a slope vibration shape is transformed to a multiscale slope vibration shape in a multiscale domain using wavelet transform, which has explicit physical implication, high damage sensitivity, and noise robustness. These advantages are demonstrated in numericalmore » cases of damaged bars, and results show that multiscale slope vibration shapes can be used for identifying and locating damage in a noisy environment. A three-dimensional (3D) scanning laser vibrometer is used to measure the longitudinal steady-state response shape of an aluminum bar with damage due to reduced cross-sectional dimensions under harmonic excitation, and results show that the method can successfully identify and locate the damage. Slopes of longitudinal vibration shapes are shown to be suitable for damage detection in bars and have potential for applications in noisy environments.« less

Structural and theoretical study of 1-[1-oxo-3-phenyl-(2-benzosulfonamide)-propyl amido] - anthracene-9,10-dione to be i-motif inhibitor

NASA Astrophysics Data System (ADS)

Vatsal, Manu; Devi, Vandna; Awasthi, Pamita

2018-04-01

The 1-[1-oxo-3-phenyl-(2-benzosulfonamide)-propyl amido] - anthracene-9,10-dione (BPAQ) an analogue of anthracenedione class of antibiotic has been synthesized. To characterize molecular functional groups FT-IR and FT-Raman spectrum were recorded and vibrational frequencies were assigned accordingly. The optimized geometrical parameters, vibrational assignments, chemical shifts and thermodynamic properties of title compound were computed by ab initio calculations at Density Functional Theory (DFT) method with 6-31G(d,p) as basis set. The calculated harmonic vibrational frequencies of molecule were then analysed in comparison to experimental FT-IR and Raman spectrum. Gauge independent atomic orbital (GIAO) method was used for determining, (1H) and carbon (13C) nuclear magnetic resonance (NMR) spectra of the molecule. Molecular parameters were calculated along with its periodic boundary conditions calculation (PBC) analysis supported by X-ray diffraction studies. The frontier molecular orbital (HOMO, LUMO) analysis describes charge distribution and stability of the molecule which concluded that nucleophilic substitution is more preferred and the mullikan charge analysis also confirmed the same. Further the title compound showed an inhibitory action at d(TCCCCC), an intermolecular i-motif sequence, hence molecular docking study suggested the inhibitory activity of the compound at these junction.

Nonlinear dynamic behaviors of permanent magnet synchronous motors in electric vehicles caused by unbalanced magnetic pull

NASA Astrophysics Data System (ADS)

Xiang, Changle; Liu, Feng; Liu, Hui; Han, Lijin; Zhang, Xun

2016-06-01

Unbalanced magnetic pull (UMP) plays a key role in nonlinear dynamic behaviors of permanent magnet synchronous motors (PMSM) in electric vehicles. Based on Jeffcott rotor model, the stiffness characteristics of the rotor system of the PMSM are analyzed and the nonlinear dynamic behaviors influenced by UMP are investigated. In free vibration study, eigenvalue-based stability analysis for multiple equilibrium points is performed which offers an insight in system stiffness. Amplitude modulation effects are discovered of which the mechanism is explained and the period of modulating signal is carried out by phase analysis and averaging method. The analysis indicates that the effects are caused by the interaction of the initial phases of forward and backward whirling motions. In forced vibration study, considering dynamic eccentricity, frequency characteristics revealing softening type are obtained by harmonic balance method, and the stability of periodic solution is investigated by Routh-Hurwitz criterion. The frequency characteristics analysis indicates that the response amplitude is limited in the range between the amplitudes of the two kinds of equilibrium points. In the vicinity of the continuum of equilibrium points, the system hardly provides resistance to bending, and hence external disturbances easily cause loss of stability. It is useful for the design of the PMSM with high stability and low vibration and acoustic noise.

Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid.

PubMed

Suresh, S; Gunasekaran, S; Srinivasan, S

2014-11-11

The solid phase FT-IR and FT-Raman spectra of 2-hydroxybenzoic acid (salicylic acid) have been recorded in the region 4000-400 and 4000-100 cm(-1) respectively. The optimized molecular geometry and fundamental vibrational frequencies are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) method and a comparative study between Hartree Fork (HF) method at 6-311++G(d,p) level basis set. The calculated harmonic vibrational frequencies are scaled and they are compared with experimentally obtained FT-IR and FT-Raman spectra. A detailed interpretation of the vibrational spectra of this compound has been made on the basis of the calculated potential energy distribution (PED). The time dependent DFT method is employed to predict its absorption energy and oscillator strength. The linear polarizability (α) and the first order hyper polarizability (β) values of the investigated molecule have been computed. The electronic properties, such as HOMO and LUMO energies, molecular electrostatic potential (MEP) are also performed. Stability of the molecule arising from hyper conjugative interaction, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Published by Elsevier B.V.

Intra-operative evaluation of cementless hip implant stability: a prototype device based on vibration analysis.

PubMed

Lannocca, Maurizio; Varini, Elena; Cappello, Angelo; Cristofolini, Luca; Bialoblocka, Ewa

2007-10-01

Cementless implants are mechanically stabilized during surgery by a press-fitting procedure. Good initial stability is crucial to avoid stem loosening and bone cracking, therefore, the surgeon must achieve optimal press-fitting. A possible approach to solve this problem and assist the surgeon in achieving the optimal compromise, involves the use of vibration analysis. The present study aimed to design and test a prototype device able to evaluate the primary mechanical stability of a cementless prosthesis, based on vibration analysis. In particular, the goal was to discriminate between stable and quasi-stable implants; thus the stem-bone system was assumed to be linear in both cases. For that reason, it was decided to study the frequency responses of the system, instead of the harmonic distortion. The prototype developed consists of a piezoelectric exciter connected to the stem and an accelerometer attached to the femur. Preliminary tests were performed on four composite femurs implanted with a conventional stem. The results showed that the input signal was repeatable and the output could be recorded accurately. The most sensitive parameter to stability was the shift in resonance frequency of the stem-bone system, which was highly correlated with residual micromotion on all four specimens.

Hyperspectral imaging with laser-scanning sum-frequency generation microscopy

PubMed Central

Hanninen, Adam; Shu, Ming Wai; Potma, Eric O.

2017-01-01

Vibrationally sensitive sum-frequency generation (SFG) microscopy is a chemically selective imaging technique sensitive to non-centrosymmetric molecular arrangements in biological samples. The routine use of SFG microscopy has been hampered by the difficulty of integrating the required mid-infrared excitation light into a conventional, laser-scanning nonlinear optical (NLO) microscope. In this work, we describe minor modifications to a regular laser-scanning microscope to accommodate SFG microscopy as an imaging modality. We achieve vibrationally sensitive SFG imaging of biological samples with sub-μm resolution at image acquisition rates of 1 frame/s, almost two orders of magnitude faster than attained with previous point-scanning SFG microscopes. Using the fast scanning capability, we demonstrate hyperspectral SFG imaging in the CH-stretching vibrational range and point out its use in the study of molecular orientation and arrangement in biologically relevant samples. We also show multimodal imaging by combining SFG microscopy with second-harmonic generation (SHG) and coherent anti-Stokes Raman scattering (CARS) on the same imaging platfrom. This development underlines that SFG microscopy is a unique modality with a spatial resolution and image acquisition time comparable to that of other NLO imaging techniques, making point-scanning SFG microscopy a valuable member of the NLO imaging family. PMID:28966861

Application of Raman spectroscopy, surface-enhanced Raman scattering (SERS), and density functional theory for the identification of phenethylamines.

PubMed

Taplin, Francis; O'Donnell, Deanna; Kubic, Thomas; Leona, Marco; Lombardi, John

2013-10-01

We evaluated the normal Raman (NR) and the surface-enhanced Raman scattering (SERS) of three sympathomimetic amines: phenethylamine, ephedrine, and 3,4-methylenedioxymethamphetamine (MDMA). In addition, quantum mechanical calculations-geometry optimization and calculations of the harmonic vibrational frequencies-were performed using the density functional theory (DFT) approach. Vibrational assignments were made by comparing the experimental and calculated spectra. The study found that both NR and SERS provided excellent spectra for the drugs tested. Certain conditions, such as response to various laser wavelengths and background fluorescence of the analyte, could be easily managed using SERS techniques. The DFT-calculated spectra could be correlated with the experimental spectra without the aid of a scaling factor. We also present a set of discriminant bands, useful for distinguishing the three compounds, despite their structural similarities.

Structural and vibrational studies on 1-(5-methyl-[1,3,4] thiadiazol-2-yl)-pyrolidin-2-ol

NASA Astrophysics Data System (ADS)

Ramesh Babu, N.; Saleem, H.; Subashchandrabose, S.; Padusha, M. Syed Ali; Bharanidharan, S.

2016-01-01

FT-Raman and FT-IR spectra were recorded for1-(5-methyl-[1,3,4]thiadiazol-2-yl)-pyrolidin-2-ol (MTPN) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, IR and the Raman scattering intensities were computed using DFT/6-311++G (d,p) level. Results obtained at this level of theory were used for a detailed interpretation of the IR and Raman spectra, based on the TED of the normal modes. Molecular parameters such as bond lengths, bond angles and dihedral angles were calculated. The intra-molecular charge transfer was calculated by means of NBO. Hyperconjugative interaction energy was more during the π-π∗ transition. Energy gap of the molecule has been found using HOMO and LUMO calculation, hence the less band gap, which seems to be more stable.

Sweep excitation with order tracking: A new tactic for beam crack analysis

NASA Astrophysics Data System (ADS)

Wei, Dongdong; Wang, KeSheng; Zhang, Mian; Zuo, Ming J.

2018-04-01

Crack detection in beams and beam-like structures is an important issue in industry and has attracted numerous investigations. A local crack leads to global system dynamics changes and produce non-linear vibration responses. Many researchers have studied these non-linearities for beam crack diagnosis. However, most reported methods are based on impact excitation and constant frequency excitation. Few studies have focused on crack detection through external sweep excitation which unleashes abundant dynamic characteristics of the system. Together with a signal resampling technique inspired by Computed Order Tracking, this paper utilize vibration responses under sweep excitations to diagnose crack status of beams. A data driven method for crack depth evaluation is proposed and window based harmonics extracting approaches are studied. The effectiveness of sweep excitation and the proposed method is experimentally validated.

Structural and spectroscopic investigation of the N-methylformamide-water (NMF···3H2O) complex

NASA Astrophysics Data System (ADS)

Hammami, F.; Ghalla, H.; Chebaane, A.; Nasr, S.

2015-01-01

In this work, theoretical studies on the structure, molecular properties, hydrogen bonding, and vibrational spectra of the N-methylformamide-water (NMF...3H2O) complex will be presented. The molecular geometry was optimised by using Hartree-Fock (HF), second Møller-Plesset (MP2), and density functional theory methods with different basis sets. The harmonic vibrational frequencies are computed by using the B3LYP method with 6-311++G(d,p) as a basis set and then scaled with a suitable scale factor to yield good coherence with the observed values. The temperature dependence of various thermodynamic functions (heat capacity, entropy, and enthalpy changes) was also studied. A detailed analysis of the nature of the hydrogen bonding, using natural bond orbital (NBO) and topological atoms in molecules theory, has been reported.

Spectroscopic (FT-IR, FT-Raman and UV) investigation, NLO, NBO, molecular orbital and MESP analysis of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid

NASA Astrophysics Data System (ADS)

Govindasamy, P.; Gunasekaran, S.

2015-02-01

In this work, FT-IR and FT-Raman spectra of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid (abbreviated as 2DCPAPAA) have been reported in the regions 4000-450 cm-1 and 4000-50 cm-1, respectively. The molecular structure, geometry optimization, intensities, vibrational frequencies were obtained by the ab initio and DFT levels of theory B3LYP with 6-311++G(d,p) standard basis set and a different scaling of the calculated wave numbers. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using vibrational energy distribution analysis (VEDA 4) program. The harmonic frequencies were calculated and the scaled values were compared with experimental FT-IR and FT-Raman data. The observed and the calculated frequencies are found to be in good agreement. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The thermodynamic properties of the title compound at different temperature reveal the correlations between standard heat capacities (C) standard entropies (S) standard enthalpy changes (ΔH). The important non-linear optical properties such as electric dipole momentum, polarizability and first hyperpolarizability of 2DCPAPAA have been computed using B3LYP/6-311++G(d,p) quantum chemical calculations. The Natural charges, HOMO, LUMO, chemical hardness (η), chemical potential (μ), Electro negativity (χ) and electrophilicity values (ω) are calculated and reported. The oscillator's strength, wave length, and energy calculated by TD-DFT and 2DCPAPAA is approach complement with the experimental findings. The molecular electrostatic potential (MESP) surfaces of the molecule were constructed.

Spectroscopic (FT-IR, FT-Raman and UV) investigation, NLO, NBO, molecular orbital and MESP analysis of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid.

PubMed

Govindasamy, P; Gunasekaran, S

2015-02-05

In this work, FT-IR and FT-Raman spectra of 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid (abbreviated as 2DCPAPAA) have been reported in the regions 4000-450cm(-1) and 4000-50cm(-1), respectively. The molecular structure, geometry optimization, intensities, vibrational frequencies were obtained by the ab initio and DFT levels of theory B3LYP with 6-311++G(d,p) standard basis set and a different scaling of the calculated wave numbers. The complete vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes calculated using vibrational energy distribution analysis (VEDA 4) program. The harmonic frequencies were calculated and the scaled values were compared with experimental FT-IR and FT-Raman data. The observed and the calculated frequencies are found to be in good agreement. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The thermodynamic properties of the title compound at different temperature reveal the correlations between standard heat capacities (C) standard entropies (S) standard enthalpy changes (ΔH). The important non-linear optical properties such as electric dipole momentum, polarizability and first hyperpolarizability of 2DCPAPAA have been computed using B3LYP/6-311++G(d,p) quantum chemical calculations. The Natural charges, HOMO, LUMO, chemical hardness (η), chemical potential (μ), Electro negativity (χ) and electrophilicity values (ω) are calculated and reported. The oscillator's strength, wave length, and energy calculated by TD-DFT and 2DCPAPAA is approach complement with the experimental findings. The molecular electrostatic potential (MESP) surfaces of the molecule were constructed. Copyright © 2014 Elsevier B.V. All rights reserved.

Internal Resonance in a Vibrating Beam: A Zoo of Nonlinear Resonance Peaks

PubMed Central

Mangussi, Franco

2016-01-01

In oscillating mechanical systems, nonlinearity is responsible for the departure from proportionality between the forces that sustain their motion and the resulting vibration amplitude. Such effect may have both beneficial and harmful effects in a broad class of technological applications, ranging from microelectromechanical devices to edifice structures. The dependence of the oscillation frequency on the amplitude, in particular, jeopardizes the use of nonlinear oscillators in the design of time-keeping electronic components. Nonlinearity, however, can itself counteract this adverse response by triggering a resonant interaction between different oscillation modes, which transfers the excess of energy in the main oscillation to higher harmonics, and thus stabilizes its frequency. In this paper, we examine a model for internal resonance in a vibrating elastic beam clamped at its two ends. In this case, nonlinearity occurs in the form of a restoring force proportional to the cube of the oscillation amplitude, which induces resonance between modes whose frequencies are in a ratio close to 1:3. The model is based on a representation of the resonant modes as two Duffing oscillators, coupled through cubic interactions. Our focus is put on illustrating the diversity of behavior that internal resonance brings about in the dynamical response of the system, depending on the detailed form of the coupling forces. The mathematical treatment of the model is developed at several approximation levels. A qualitative comparison of our results with previous experiments and numerical calculations on elastic beams is outlined. PMID:27648829

Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate

NASA Astrophysics Data System (ADS)

Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Gunasekaran, S.; Rajakumar, P. R.; Anbalagan, G.

2015-06-01

Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by 1H and 13C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358 K for heating and cooling, respectively.

Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate.

PubMed

Kanagathara, N; Marchewka, M K; Drozd, M; Gunasekaran, S; Rajakumar, P R; Anbalagan, G

2015-06-15

Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by (1)H and (13)C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358K for heating and cooling, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Anisotropic lattice thermal expansion of PbFeBO 4: A study by X-ray and neutron diffraction, Raman spectroscopy and DFT calculations

DOE PAGES

Murshed, M. Mangir; Mendive, Cecilia B.; Curti, Mariano; ...

2014-11-01

We present the lattice thermal expansion of mullite-type PbFeBO 4 in this study. The thermal expansion coefficients of the metric parameters were obtained from composite data collected from temperature-dependent neutron and X-ray powder diffraction between 10 K and 700 K. The volume thermal expansion was modeled using extended Grüneisen first-order approximation to the zero-pressure equation of state. The additive frame of the model includes harmonic, quasi-harmonic and intrinsic anharmonic potentials to describe the change of the internal energy as a function of temperature. Moreover, the unit-cell volume at zero-pressure and 0 K was optimized during the DFT simulations. Harmonic frequenciesmore » of the optical Raman modes at the Γ-point of the Brillouin zone at 0 K were also calculated by DFT, which help to assign and crosscheck the experimental frequencies. The low-temperature Raman spectra showed significant anomaly in the antiferromagnetic regions, leading to softening or hardening of some phonons. Selected modes were analyzed using a modified Klemens model. The shift of the frequencies and the broadening of the line-widths helped to understand the anharmonic vibrational behaviors of the PbO4, FeO6 and BO3 polyhedra as a function of temperature.« less

Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

NASA Astrophysics Data System (ADS)

Mauri, Francesco

Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

Ab initio calculation of harmonic force fields and vibrational spectra for the arsine oxides and sulfides R sub 3 AsY (R = H, F; Y = O, S) and related compounds

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

Schneider, W.; Thiel, W.; Komornicki, A.

1990-04-05

Ab initio self-consistent-field calculations using effective core potentials and polarized double-zeta basis sets are reported for the arsenic compounds H{sub 3}As, H{sub 3}AsO, H{sub 3}AsS, F{sub 3}As, F{sub 3}AsO, F{sub 3}AsS, cis- and trans-H{sub 2}AsOH, and HAsO. The calculated geometries, rotational constants, vibrational frequencies, Coriolis coupling constants, centrifugal distortion constants, infrared band intensities, and force fields are compared with the available experimental data. Good agreement is found in the case of the known molecules, especially H{sub 3}As and F{sub 3}As, so that the predictions for the unknown molecules are expected to be realistic. The theoretical results confirm a recent spectroscopicmore » identification of H{sub 3}AsO, H{sub 2}AsOH, and HAsO and suggest reassignment of several observed frequencies.« less

Dynamic Analysis of a Rotor System Supported on Squeeze Film Damper with Air Entrainment

NASA Astrophysics Data System (ADS)

Zhang, Wei; Han, Bingbing; Zhang, Kunpeng; Ding, Qian

2017-12-01

Squeeze film dampers (SFDs) are widely used in compressors and turbines to suppress the vibration while traversing critical speeds. In practical applications, air ingestion from the outside environment and cavitation may lead to a foamy lubricant that weakens oil film damping and dynamic performance of rotor system. In this paper, a rigid rotor model is established considering both lateral and pitching vibration under different imbalance excitations to evaluate the effect of air entrainment on rotor system. Tests with three different imbalances are carried out on a rotor-SFD apparatus. Volume controlled air in mixture ranging from pure oil to all air are supplied to the SFD. The transient response of rotor is measured in the experiments. The results show that two-phase flow produces significant influence on the system stability and dynamical response. The damping properties are weakened by entrained air, such as the damping on high frequency components of rolling ball bearing. Super-harmonic resonance and bifurcation are observed, as well as the low frequency components due to air entrainment.

Nonlinear vibration behaviors of high-Tc superconducting bulks in an applied permanent magnetic array field

NASA Astrophysics Data System (ADS)

Li, Jipeng; Li, Haitao; Zheng, Jun; Zheng, Botian; Huang, Huan; Deng, Zigang

2017-06-01

The nonlinear vibration of high temperature superconducting (HTS) bulks in an applied permanent magnetic array (Halbach array) field, as a precondition for commercial application to HTS maglev train and HTS bearing, is systematically investigated. This article reports the actual vibration rules of HTS bulks from three aspects. First, we propose a new numerical model to simplify the calculation of levitation force. This model could provide precise simulations, especially the estimation of eigenfrequency. Second, an approximate analytic solution of the vibration of the HTS bulks is obtained by using the method of harmonic balance. Finally, to verify the results mentioned above, we measure the vertical vibration acceleration signals of an HTS maglev model, consisting of eight YBaCuO bulks, oscillating freely above a Halbach array with large displacement excitation. Higher order harmonic components, which indicate the nonlinear vibration phenomenon, are detected in the responses. All the three results are compared and agreed well with each other. This study combines the experimental and theoretical analyses and provides a deep understanding of the physical phenomenon of the nonlinear vibration and is meaningful for the vibration control of the relevant applications.

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

PubMed

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO-LUMO analysis of carvedilol

NASA Astrophysics Data System (ADS)

Swarnalatha, N.; Gunasekaran, S.; Nagarajan, M.; Srinivasan, S.; Sankari, G.; Ramkumaar, G. R.

2015-02-01

In this work, we have investigated experimentally and theoretically on the molecular structure, vibrational spectra, UV spectral analysis and NBO studies of cardio-protective drug carvedilol. The FT-Raman and FT-IR spectra for carvedilol in the solid phase have been recorded in the region 4000-100 cm-1 and 4000-400 cm-1 respectively. Theoretical calculations were performed by using density functional theory (DFT) method at B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) basis set levels. The harmonic vibrational frequencies, the optimized geometric parameters have been interpreted and compared with the reported experimental values. The complete vibrational assignments were performed on the basis of potential energy distribution (PED) of the vibrational modes. The thermodynamic properties and molecular electrostatic potential surfaces of the molecule were constructed. The electronic absorption spectrum was recorded in the region 400-200 nm and electronic properties such as HOMO and LUMO energies were calculated. The stability of the molecule arising from hyper conjugative interactions and charge delocalization have been analyzed from natural bond orbital (NBO) analysis. The first order hyperpolarizability of the title molecule was also calculated. The photo stability of carvedilol under different storage conditions were analyzed using UV-Vis spectral technique.

Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method

NASA Astrophysics Data System (ADS)

Muthu, S.; Prabhakaran, A.

2014-08-01

In this work, we reported the vibrational spectra of tranexamic acid (TA) by experimental and quantum chemical calculation. The solid phase FT-Raman and FT-IR spectra of the title compound were recorded in the region 4000 cm-1 to 100 cm-1 and 4000 cm-1 to 400 cm-1 respectively. The molecular geometry, harmonic vibrational frequencies and bonding features of TA in the ground state have been calculated by using density functional theory (DFT) B3LYP method with standard 6-31G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The vibrational assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. The electrostatic potential mapped onto an isodensity surface has been obtained. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) of the title compound at different temperatures were calculated in gas phase.

Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations.

PubMed

Suhasini, M; Sailatha, E; Gunasekaran, S; Ramkumaar, G R

2015-04-15

A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the (13)C and (1)H NMR chemical shifts of Carbamazepine. Copyright © 2015 Elsevier B.V. All rights reserved.

Theoretical insight of adsorption thermodynamics of multifunctional molecules on metal surfaces

NASA Astrophysics Data System (ADS)

Loffreda, David

2006-05-01

Adsorption thermodynamics based on density functional theory (DFT) calculations are exposed for the interaction of several multifunctional molecules with Pt and Au(1 1 0)-(1 × 2) surfaces. The Gibbs free adsorption energy explicitly depends on the adsorption internal energy, which is derived from DFT adsorption energy, and the vibrational entropy change during the chemisorption process. Zero-point energy (ZPE) corrections have been systematically applied to the adsorption energy. Moreover the vibrational entropy change has been computed on the basis of DFT harmonic frequencies (gas and adsorbed phases, clean surfaces), which have been extended to all the adsorbate vibrations and the metallic surface phonons. The phase diagrams plotted in realistic conditions of temperature (from 100 to 400 K) and pressure (0.15 atm) show that the ZPE corrected adsorption energy is the main contribution. When strong chemisorption is considered on the Pt surface, the multifunctional molecules are adsorbed on the surface in the considered temperature range. In contrast for weak chemisorption on the Au surface, the thermodynamic results should be held cautiously. The systematic errors of the model (choice of the functional, configurational entropy and vibrational entropy) make difficult the prediction of the adsorption-desorption phase boundaries.

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

PubMed

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

2014-01-24

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

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

NASA Astrophysics Data System (ADS)

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

2014-01-01

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

Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

NASA Astrophysics Data System (ADS)

Han, Huixian; Li, Anyang; Guo, Hua

2014-12-01

A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S0) electronic state has been constructed by fitting ˜37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm-1. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies up to 12 700 cm-1 above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.

A nonlinear energy sink with an energy harvester: Harmonically forced responses

NASA Astrophysics Data System (ADS)

Kremer, Daniel; Liu, Kefu

2017-12-01

This study intends to achieve simultaneous vibration suppression and energy harvesting using a variant form of nonlinear energy sink (NES). The proposed apparatus is not a true NES as its spring is not essentially nonlinear. In a previous study [22] (Journal of Sound and Vibration, 333 (20) (2014)), it has been shown that the apparatus demonstrates the transient behaviors similar to those of the NES. As a sequel, the present paper focuses on harmonically forced responses of the system. First, the approximate solutions of steady state responses are derived. Using the approximate solutions, the steady state behaviors are investigated by using the numerical continuation method. This is followed by an experimental study. The study has shown that under harmonic excitation, the proposed apparatus functions similarly to the NES with the typical behaviors such as strongly modulated responses, amplitude jumping, excitation level dependence, etc. Overall, the apparatus meets the design objectives: the vibration suppression and energy harvesting in a broadband manner.

Hybrid Active-Passive Systems for Control of Aircraft Interior Noise

NASA Technical Reports Server (NTRS)

Fuller, Chris R.

1999-01-01

Previous work has demonstrated the large potential for hybrid active-passive systems for attenuating interior noise in aircraft fuselages. The main advantage of an active-passive system is, by utilizing the natural dynamics of the actuator system, the control actuator power and weight is markedly reduced and stability/robustness is enhanced. Three different active-passive approaches were studied in the past year. The first technique utilizes multiple tunable vibration absorbers (ATVA) for reducing narrow band sound radiated from panels and transmitted through fuselage structures. The focus is on reducing interior noise due to propeller or turbo fan harmonic excitation. Two types of tunable vibration absorbers were investigated; a solid state system based upon a piezoelectric mechanical exciter and an electromechanical system based upon a Motran shaker. Both of these systems utilize a mass-spring dynamic effect to maximize tile output force near resonance of the shaker system and so can also be used as vibration absorbers. The dynamic properties of the absorbers (i.e. resonance frequency) were modified using a feedback signal from an accelerometer mounted on the active mass, passed through a compensator and fed into the drive component of the shaker system (piezoelectric element or voice coil respectively). The feedback loop consisted of a two coefficient FIR filter, implemented on a DSP, where the input is acceleration of tile ATVA mass and the output is a force acting in parallel with the stiffness of the absorber. By separating the feedback signal into real and imaginary components, the effective natural frequency and damping of the ATVA can be altered independently. This approach gave control of the resonance frequencies while also allowing the simultaneous removal of damping from the ATVA, thus increasing the ease of controllability and effectiveness. In order to obtain a "tuned" vibration absorber the chosen resonant frequency was set to the excitation frequency. In order to minimize sound radiation a gradient descent algorithm was developed which globally adapted the resonance frequencies of multiple ATVA's while minimizing a cost based upon the radiated sound power or sound energy obtained from an array of microphones.

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-Methylacetamide

NASA Technical Reports Server (NTRS)

Gregurick, Susan K.; Chaban, Galina M.; Gerber, R. Benny; Kwak, Dochou (Technical Monitor)

2001-01-01

The second-order Moller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the trans(sub ct) configuration, including all degrees of freedom. The vibrational states and the spectroscopy are directly computed from this potential surface using the Correlation Corrected Vibrational Self-Consistent Field (CC-VSCF) method. The results are compared with CC-VSCF calculations using both the standard and improved empirical Amber-like force fields and available low temperature experimental matrix data. Analysis of our calculated spectroscopic results show that: (1) The excellent agreement between the ab initio CC-VSCF calculated frequencies and the experimental data suggest that the computed anharmonic potentials for N-methylacetamide are of a very high quality; (2) For most transitions, the vibrational frequencies obtained from the ab initio CC-VSCF method are superior to those obtained using the empirical CC-VSCF methods, when compared with experimental data. However, the improved empirical force field yields better agreement with the experimental frequencies as compared with a standard AMBER-type force field; (3) The empirical force field in particular overestimates anharmonic couplings for the amide-2 mode, the methyl asymmetric bending modes, the out-of-plane methyl bending modes, and the methyl distortions; (4) Disagreement between the ab initio and empirical anharmonic couplings is greater than the disagreement between the frequencies, and thus the anharmonic part of the empirical potential seems to be less accurate than the harmonic contribution;and (5) Both the empirical and ab initio CC-VSCF calculations predict a negligible anharmonic coupling between the amide-1 and other internal modes. The implication of this is that the intramolecular energy flow between the amide-1 and the other internal modes may be smaller than anticipated. These results may have important implications for the anharmonic force fields of peptides, for which N-methylacetamide is a model.

Frictional-faulting model for harmonic tremor before Redoubt Volcano eruptions

USGS Publications Warehouse

Dmitrieva, Ksenia; Hotovec-Ellis, Alicia J.; Prejean, Stephanie G.; Dunham, Eric M.

2013-01-01

Seismic unrest, indicative of subsurface magma transport and pressure changes within fluid-filled cracks and conduits, often precedes volcanic eruptions. An intriguing form of volcano seismicity is harmonic tremor, that is, sustained vibrations in the range of 0.5–5 Hz. Many source processes can generate harmonic tremor. Harmonic tremor in the 2009 eruption of Redoubt Volcano, Alaska, has been linked to repeating earthquakes of magnitudes around 0.5–1.5 that occur a few kilometres beneath the vent. Before many explosions in that eruption, these small earthquakes occurred in such rapid succession—up to 30 events per second—that distinct seismic wave arrivals blurred into continuous, high-frequency tremor. Tremor abruptly ceased about 30 s before the explosions. Here we introduce a frictional-faulting model to evaluate the credibility and implications of this tremor mechanism. We find that the fault stressing rates rise to values ten orders of magnitude higher than in typical tectonic settings. At that point, inertial effects stabilize fault sliding and the earthquakes cease. Our model of the Redoubt Volcano observations implies that the onset of volcanic explosions is preceded by active deformation and extreme stressing within a localized region of the volcano conduit, at a depth of several kilometres.

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

PubMed

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

2009-12-31

The ionization energy (IE) of FeC and the 0 K bond dissociation energies (D(0)) and the heats of formation at 0 K (DeltaH(o)(f0)) and 298 K (DeltaH(o)(f298)) for FeC and FeC(+) are predicted by the single-reference wave function based CCSDTQ(Full)/CBS approach, which involves the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations. The zero-point vibrational energy (ZPVE) correction, the core-valence electronic corrections (up to CCSDT level), spin-orbit couplings, and relativistic effects (up to CCSDTQ level) are included in the calculations. The present calculations provide the correct symmetry predictions for the ground states of FeC and FeC(+) to be (3)Delta and (2)Delta, respectively. We have also examined the theoretical harmonic vibrational frequencies of FeC/FeC(+) at the ROHF-UCCSD(T) and UHF-UCCSD(T) levels. While the UHF-UCCSD(T) harmonic frequencies are in good agreement with the experimental measurements, the ROHF-UCCSD(T) yields significantly higher harmonic frequency predictions for FeC/FeC(+). The CCSDTQ(Full)/CBS IE(FeC) = 7.565 eV is found to compare favorably with the experimental IE value of 7.59318 +/- 0.00006 eV, suggesting that the single-reference-based coupled cluster theory is capable of providing reliable IE prediction for FeC, despite its multireference character. The CCSDTQ(Full)/CBS D(0)(Fe(+)-C) and D(0)(Fe-C) give the prediction of D(0)(Fe(+)-C) - D(0)(Fe-C) = 0.334 eV, which is consistent with the experimental determination of 0.3094 +/- 0.0001 eV. The D(0) calculations also support the experimental D(0)(Fe(+)-C) = 4.1 +/- 0.3 eV and D(0)(Fe-C) = 3.8 +/- 0.3 eV determined by the previous ion photodissociation study. The present calculations also provide the DeltaH(o)(f0)(DeltaH(o)(f298)) predictions for FeC/FeC(+). The analysis of the correction terms in these calculations shows that the core-valence and valence-valence electronic correlations beyond CCSD(T) wave function and the relativistic effects make significant contributions to the calculated thermochemical properties of FeC/FeC(+). For the experimental D(0) and DeltaH(o)(f0) values of FeC/FeC(+), which are not known to high precision, we recommend the CCSDTQ(Full)/CBS predictions [D(0)(Fe-C) = 3.778 eV, D(0)(Fe(+)-C) = 4.112 eV, DeltaH(o)(f0)(FeC) = 760.8 kJ/mol and DeltaH(o)(f0)(FeC(+)) = 1490.6 kJ/mol] based on the ZPVE corrections using the experimental vibrational frequencies of FeC and FeC(+).

Polyspectral signal analysis techniques for condition based maintenance of helicopter drive-train system

NASA Astrophysics Data System (ADS)

Hassan Mohammed, Mohammed Ahmed

For an efficient maintenance of a diverse fleet of air- and rotorcraft, effective condition based maintenance (CBM) must be established based on rotating components monitored vibration signals. In this dissertation, we present theory and applications of polyspectral signal processing techniques for condition monitoring of critical components in the AH-64D helicopter tail rotor drive train system. Currently available vibration-monitoring tools are mostly built around auto- and cross-power spectral analysis which have limited performance in detecting frequency correlations higher than second order. Studying higher order correlations and their Fourier transforms, higher order spectra, provides more information about the vibration signals which helps in building more accurate diagnostic models of the mechanical system. Based on higher order spectral analysis, different signal processing techniques are developed to assess health conditions of different critical rotating-components in the AH-64D helicopter drive-train. Based on cross-bispectrum, quadratic nonlinear transfer function is presented to model second order nonlinearity in a drive-shaft running between the two hanger bearings. Then, quadratic-nonlinearity coupling coefficient between frequency harmonics of the rotating shaft is used as condition metric to study different seeded shaft faults compared to baseline case, namely: shaft misalignment, shaft imbalance, and combination of shaft misalignment and imbalance. The proposed quadratic-nonlinearity metric shows better capabilities in distinguishing the four studied shaft settings than the conventional linear coupling based on cross-power spectrum. We also develop a new concept of Quadratic-Nonlinearity Power-Index spectrum, QNLPI(f), that can be used in signal detection and classification, based on bicoherence spectrum. The proposed QNLPI(f) is derived as a projection of the three-dimensional bicoherence spectrum into two-dimensional spectrum that quantitatively describes how much of the mean square power at certain frequency f is generated due to nonlinear quadratic interaction between different frequency components. The proposed index, QNLPI(f), can be used to simplify the study of bispectrum and bicoherence signal spectra. It also inherits useful characteristics from the bicoherence such as high immunity to additive Gaussian noise, high capability of nonlinear-systems identifications, and amplification invariance. The quadratic-nonlinear power spectral density PQNL(f) and percentage of quadratic nonlinear power PQNLP are also introduced based on the QNLPI(f). Concept of the proposed indices and their computational considerations are discussed first using computer generated data, and then applied to real-world vibration data to assess health conditions of different rotating components in the drive train including drive-shaft, gearbox, and hanger bearing faults. The QNLPI(f) spectrum enables us to gain more details about nonlinear harmonic generation patterns that can be used to distinguish between different cases of mechanical faults, which in turn helps to gaining more diagnostic/prognostic capabilities.

Soliton microdynamics of the generation of new-type nonlinear surface vibrations, dissociation, and surfing diffusion in diatomic crystals of the uranium nitride type

NASA Astrophysics Data System (ADS)

Dubovsky, O. A.; Semenov, V. A.; Orlov, A. V.; Sudarev, V. V.

2014-09-01

The microdynamics of large-amplitude nonlinear vibrations of uranium nitride diatomic lattices has been investigated using the computer simulation and neutron scattering methods at temperatures T = 600-2500°C near the thresholds of the dissociation and destruction of the reactor fuel materials. It has been found using the computer simulation that, in the spectral gap between the frequency bands of acoustic and optical phonons in crystals with an open surface, there are resonances of new-type harmonic surface vibrations and a gap-filling band of their genetic successors, i.e., nonlinear surface vibrations. Experimental measurements of the slow neutron scattering spectra of uranium nitride on the DIN-2PI neutron spectrometer have revealed resonances and bands of these surface vibrations in the spectral gap, as well as higher optical vibration overtones. It has been shown that the solitons and bisolitons initiate the formation and collapse of dynamic pores with the generation of surface vibrations at the boundaries of the cavities, evaporation of atoms and atomic clusters, formation of cracks, and destruction of the material. It has been demonstrated that the mass transfer of nitrogen in cracks and along grain boundaries can occur through the revealed microdynamics mechanism of the surfing diffusion of light nitrogen atoms at large-amplitude soliton waves propagating in the stabilizing sublattice of heavy uranium atoms and in the nitrogen sublattice.

A formulation of rotor-airframe coupling for design analysis of vibrations of helicopter airframes

NASA Technical Reports Server (NTRS)

Kvaternik, R. G.; Walton, W. C., Jr.

1982-01-01

A linear formulation of rotor airframe coupling intended for vibration analysis in airframe structural design is presented. The airframe is represented by a finite element analysis model; the rotor is represented by a general set of linear differential equations with periodic coefficients; and the connections between the rotor and airframe are specified through general linear equations of constraint. Coupling equations are applied to the rotor and airframe equations to produce one set of linear differential equations governing vibrations of the combined rotor airframe system. These equations are solved by the harmonic balance method for the system steady state vibrations. A feature of the solution process is the representation of the airframe in terms of forced responses calculated at the rotor harmonics of interest. A method based on matrix partitioning is worked out for quick recalculations of vibrations in design studies when only relatively few airframe members are varied. All relations are presented in forms suitable for direct computer implementation.

Vibrational contribution to molecular polarizabilities and hyperpolarizabilities

NASA Astrophysics Data System (ADS)

Pandey, P. K. K.; Santry, D. P.

1980-09-01

The vibrational averaging theory of Kern and Matcha is extended, at the harmonic level of approximation, to the case where the molecular property under investigation can itself lead indirectly to a perturbation of the vibrational levels of the molecule. It is found that contributions arising from this perturbation can be significant, especially for molecular hyperpolarizabilities.

A harmonic adiabatic approximation to calculate highly excited vibrational levels of ``floppy molecules''

NASA Astrophysics Data System (ADS)

Lauvergnat, David; Nauts, André; Justum, Yves; Chapuisat, Xavier

2001-04-01

The harmonic adiabatic approximation (HADA), an efficient and accurate quantum method to calculate highly excited vibrational levels of molecular systems, is presented. It is well-suited to applications to "floppy molecules" with a rather large number of atoms (N>3). A clever choice of internal coordinates naturally suggests their separation into active, slow, or large amplitude coordinates q', and inactive, fast, or small amplitude coordinates q″, which leads to an adiabatic (or Born-Oppenheimer-type) approximation (ADA), i.e., the total wave function is expressed as a product of active and inactive total wave functions. However, within the framework of the ADA, potential energy data concerning the inactive coordinates q″ are required. To reduce this need, a minimum energy domain (MED) is defined by minimizing the potential energy surface (PES) for each value of the active variables q', and a quadratic or harmonic expansion of the PES, based on the MED, is used (MED harmonic potential). In other words, the overall picture is that of a harmonic valley about the MED. In the case of only one active variable, we have a minimum energy path (MEP) and a MEP harmonic potential. The combination of the MED harmonic potential and the adiabatic approximation (harmonic adiabatic approximation: HADA) greatly reduces the size of the numerical computations, so that rather large molecules can be studied. In the present article however, the HADA is applied to our benchmark molecule HCN/CNH, to test the validity of the method. Thus, the HADA vibrational energy levels are compared and are in excellent agreement with the ADA calculations (adiabatic approximation with the full PES) of Light and Bačić [J. Chem. Phys. 87, 4008 (1987)]. Furthermore, the exact harmonic results (exact calculations without the adiabatic approximation but with the MEP harmonic potential) are compared to the exact calculations (without any sort of approximation). In addition, we compare the densities of the bending motion during the HCN/CNH isomerization, computed with the HADA and the exact wave function.

Tabulation of data from the tip aerodynamics and acoustics test

NASA Technical Reports Server (NTRS)

Cross, Jeffrey L.; Tu, Wilson

1990-01-01

In a continuing effort to understand helicopter rotor tip aerodynamics and acoustics, researchers at Ames Research Center conducted a flight test. The test was performed using the NASA White Cobra and a set of highly instrumented blades. Tabular and graphic summaries of two data subsets from the Tip Aerodynamics and Acoustics Test are given. The data presented are for airloads, blade structural loads, blade vibrations, with summary tables of the aircraft states for each test point. The tabular data consist of the first 15 harmonics only, whereas the plots contain the entire measured frequency content.

Extraction of repetitive transients with frequency domain multipoint kurtosis for bearing fault diagnosis

NASA Astrophysics Data System (ADS)

Liao, Yuhe; Sun, Peng; Wang, Baoxiang; Qu, Lei

2018-05-01

The appearance of repetitive transients in a vibration signal is one typical feature of faulty rolling element bearings. However, accurate extraction of these fault-related characteristic components has always been a challenging task, especially when there is interference from large amplitude impulsive noises. A frequency domain multipoint kurtosis (FDMK)-based fault diagnosis method is proposed in this paper. The multipoint kurtosis is redefined in the frequency domain and the computational accuracy is improved. An envelope autocorrelation function is also presented to estimate the fault characteristic frequency, which is used to set the frequency hunting zone of the FDMK. Then, the FDMK, instead of kurtosis, is utilized to generate a fast kurtogram and only the optimal band with maximum FDMK value is selected for envelope analysis. Negative interference from both large amplitude impulsive noise and shaft rotational speed related harmonic components are therefore greatly reduced. The analysis results of simulation and experimental data verify the capability and feasibility of this FDMK-based method

Detailed study of the water trimer potential energy surface

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

Fowler, J.E.; Schaefer, H.F. III

The potential energy surface of the water trimer has been studied through the use of ab initio quantum mechanical methods. Five stationary points were located, including one minimum and two transition states. All geometries were optimized at levels up to the double-[Zeta] plus polarization plus diffuse (DZP + diff) single and double excitation coupled cluster (CCSD) level of theory. CCSD single energy points were obtained for the minimum, two transition states, and the water monomer using the triple-[Zeta] plus double polarization plus diffuse (TZ2P + diff) basis at the geometries predicted by the DZP + diff CCSD method. Reported aremore » the following: geometrical parameters, total and relative energies, harmonic vibrational frequencies and infrared intensities for the minimum, and zero point vibrational energies for the minimum, two transition states, and three separated water molecules. 27 refs., 5 figs., 10 tabs.« less

Structural, vibrational and thermodynamic properties of Mg2 FeH6 complex hydride

NASA Astrophysics Data System (ADS)

Zhou, H. L.; Yu, Y.; Zhang, H. F.; Gao, T.

2011-02-01

Mg2FeH6, which has one of the highest hydrogen storage capacities among Mg based 3d-transitional metal hydrides, is considered as an attractive material for hydrogen storage. Within density-functional perturbation theory (DFPT), we have investigated the structural, vibrational and thermodynamic properties of Mg2FeH6. The band structure calculation shows that this compound is a semiconductor with a direct X-X energy gap of 1.96 eV. The calculated phonon frequencies for the Raman-active and the infrared-active modes are assigned. The phonon dispersion curves together with the corresponding phonon density of states and longitudinal-transverse optical (LO-TO) splitting are also calculated. Findings are also presented for the temperature-dependent behaviors of some thermodynamic properties such as free energy, internal energy, entropy and heat capacity within the quasi-harmonic approximation based on the calculated phonon density of states.

The vibration characteristics of a coupled helicopter rotor-fuselage by a finite element analysis

NASA Technical Reports Server (NTRS)

Rutkowski, M. J.

1983-01-01

The dynamic coupling between the rotor system and the fuselage of a simplified helicopter model in hover was analytically investigated. Mass, aerodynamic damping, and elastic and centrifugal stiffness matrices are presented for the analytical model; the model is based on a beam finite element, with polynomial mass and stiffness distributions for both the rotor and fuselage representations. For this analytical model, only symmetric fuselage and collective blade degrees of freedom are treated. Real and complex eigen-analyses are carried out to obtain coupled rotor-fuselage natural modes and frequencies as a function of rotor speed. Vibration response results are obtained for the coupled system subjected to a radially uniform, harmonic blade loading. The coupled response results are compared with response results from an uncoupled analysis in which hub loads for an isolated rotor system subjected to the same sinusoidal blade loading as the coupled system are applied to a free-free fuselage.

Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies

NASA Astrophysics Data System (ADS)

Custodio, Jean M. F.; Vaz, Wesley F.; de Andrade, Fabiano M.; Camargo, Ademir J.; Oliveira, Guilherme R.; Napolitano, Hamilton B.

2017-05-01

The effect of substituents on two hydroxylated chalcones was studied in this work. The first chalcone, with a dimethylamine group (HY-DAC) and the second, with three methoxy groups (HY-TRI) were synthesized and crystallized from ethanol on centrosymmetric space group P21/c. The geometric parameters and supramolecular arrangement for both structures obtained from single crystal X-ray diffraction data were analyzed. The intermolecular interactions were investigated by Hirshfeld surfaces with their respective 2D plot for quantification of each type of contact. Additionally, the observed interactions were characterized by QTAIM analysis, and DFT calculations were applied for theoretical vibrational spectra, localization and quantification of frontier orbitals and potential electrostatic map. The flatness of both structures was affected by the substituents, which led to different monoclinic crystalline packing. The calculated harmonic vibrational frequencies and homo-lumo gap confirmed the stability of the structures, while intermolecular interactions were confirmed by potential electrostatic map and QTAIM analysis.

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rice, Julia E.

1992-01-01

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Structure-activity relations of 2-(methylthio)benzimidazole by FTIR, FT-Raman, NMR, DFT and conceptual DFT methods.

PubMed

Arjunan, V; Raj, Arushma; Ravindran, P; Mohan, S

2014-01-24

The vibrational fundamental modes of 2-(methylthio)benzimidazole (2MTBI) have been analysed by combining FTIR, FT-Raman and quantum chemical calculations. The structural parameters of the compound are determined from the optimised geometry by B3LYP with 6-31G(∗∗), 6-311++G(∗∗) and cc-pVTZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra have been analysed and (1)H and (13)C nuclear magnetic resonance chemical shifts are calculated using the gauge independent atomic orbital (GIAO) method. The structure-activity relationship of the compound is also investigated by conceptual DFT methods. The chemical reactivity and site selectivity of the molecule has been determined with the help of global and local reactivity descriptors. Copyright © 2013 Elsevier B.V. All rights reserved.

Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectra

NASA Astrophysics Data System (ADS)

Buchholz, Max; Grossmann, Frank; Ceotto, Michele

2018-03-01

We present and test an approximate method for the semiclassical calculation of vibrational spectra. The approach is based on the mixed time-averaging semiclassical initial value representation method, which is simplified to a form that contains a filter to remove contributions from approximately harmonic environmental degrees of freedom. This filter comes at no additional numerical cost, and it has no negative effect on the accuracy of peaks from the anharmonic system of interest. The method is successfully tested for a model Hamiltonian and then applied to the study of the frequency shift of iodine in a krypton matrix. Using a hierarchic model with up to 108 normal modes included in the calculation, we show how the dynamical interaction between iodine and krypton yields results for the lowest excited iodine peaks that reproduce experimental findings to a high degree of accuracy.

Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole

NASA Astrophysics Data System (ADS)

Saglam, S.; Disli, A.; Erdogdu, Y.; Marchewka, M. K.; Kanagathara, N.; Bay, B.; Güllüoğlu, M. T.

2015-01-01

In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, 1H NMR, 13C-APT and LC-MS spectroscopy techniques. The FT-IR, 1H NMR and 13C-APT spectral measurements of the 5B1C1HT compound and complete assignment of the vibrational bands observed in spectra has been discussed. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on Density Functional Theory (DFT) at 6-311++G**, cc-pVDZ and cc-pVTZ basis sets. The optimized geometry with 6-311++G** basis sets were used to determine the total energy distribution, harmonic vibrational frequencies, IR intensities.

Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole.

PubMed

Saglam, S; Disli, A; Erdogdu, Y; Marchewka, M K; Kanagathara, N; Bay, B; Güllüoğlu, M T

2015-01-25

In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, (1)H NMR, (13)C-APT and LC-MS spectroscopy techniques. The FT-IR, (1)H NMR and (13)C-APT spectral measurements of the 5B1C1HT compound and complete assignment of the vibrational bands observed in spectra has been discussed. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on Density Functional Theory (DFT) at 6-311++G(**), cc-pVDZ and cc-pVTZ basis sets. The optimized geometry with 6-311++G(**) basis sets were used to determine the total energy distribution, harmonic vibrational frequencies, IR intensities. Copyright © 2014 Elsevier B.V. All rights reserved.

Structural and vibrational analyses of new potential anticancer drug 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione

NASA Astrophysics Data System (ADS)

Vitnik, Željko J.; Popović-Đorđević, Jelena B.; Vitnik, Vesna D.

2017-06-01

The establishment of the most stable structures of 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione, potential anticancer and antimicrobial drug has been investigated in this work. A detailed interpretation of experimental and calculated IR, UV and NMR spectra were reported. The equilibrium geometry, harmonic vibrational frequencies and electronic properties have been investigated with Density Functional Theory using B3LYP/6-311++G(d,p) method. The scaled theoretical wavenumber showed very good agreement with the experimental values. The charge transfer in the molecule was confirmed with NBO analysis. Ultraviolet-visible spectrum was calculated using TD-DFT method and compared with experimental spectrum. The calculated energy and oscillator strength well reproduce the experimental data. The molecular electrostatic potential surface map portrays potential binding sites of the title molecule.

A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde

NASA Astrophysics Data System (ADS)

Prasad, M. V. S.; Udaya Sri, N.; Veeraiah, V.

2015-09-01

In the present study, the FT-IR and FT-Raman spectra of 2-chloro-3-quinolinecarboxaldehyde (2Cl3QC) have been recorded in the region 4000-400 and 3500-50 cm-1, respectively. The fundamental modes of vibrational frequencies of 2Cl3QC are assigned. Theoretical information on the optimized geometry, harmonic vibrational frequencies, infrared and Raman intensities were obtained by means of density functional theory (DFT) gradient calculations with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The vibrational frequencies which were determined experimentally from the spectral data are compared with those obtained theoretically from DFT calculations. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors. The infrared and Raman spectra were also predicted from the calculated intensities. Thermodynamic properties like entropy, heat capacity, zero point energy, have been calculated for the molecule. The predicted first hyperpolarizability also shows that the molecule might have a reasonably good non-linear optical (NLO) behavior. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization have been analyzed using natural bond orbitals (NBO) analysis. The results show that charge in electron density (ED) in the π∗ antibonding orbitals and E(2) energies confirms the occurrence of ICT (intra-molecular charge transfer) within the molecule. UV-visible spectrum of the title molecule has also been calculated using TD-DFT/CAM-B3LYP/6-31G(d,p) method. The calculated energy and oscillator strength almost exactly reproduces reported experimental data.

A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.

PubMed

Prasad, M V S; Udaya Sri, N; Veeraiah, V

2015-09-05

In the present study, the FT-IR and FT-Raman spectra of 2-chloro-3-quinolinecarboxaldehyde (2Cl3QC) have been recorded in the region 4000-400 and 3500-50 cm(-1), respectively. The fundamental modes of vibrational frequencies of 2Cl3QC are assigned. Theoretical information on the optimized geometry, harmonic vibrational frequencies, infrared and Raman intensities were obtained by means of density functional theory (DFT) gradient calculations with complete relaxation in the potential energy surface using 6-31G(d,p) basis set. The vibrational frequencies which were determined experimentally from the spectral data are compared with those obtained theoretically from DFT calculations. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors. The infrared and Raman spectra were also predicted from the calculated intensities. Thermodynamic properties like entropy, heat capacity, zero point energy, have been calculated for the molecule. The predicted first hyperpolarizability also shows that the molecule might have a reasonably good non-linear optical (NLO) behavior. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. Stability of the molecule arising from hyper conjugative interactions, charge delocalization have been analyzed using natural bond orbitals (NBO) analysis. The results show that charge in electron density (ED) in the π(∗) antibonding orbitals and E((2)) energies confirms the occurrence of ICT (intra-molecular charge transfer) within the molecule. UV-visible spectrum of the title molecule has also been calculated using TD-DFT/CAM-B3LYP/6-31G(d,p) method. The calculated energy and oscillator strength almost exactly reproduces reported experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

A Gaussian Wave Packet Propagation Approach to Vibrationally Resolved Optical Spectra at Non-Zero Temperatures.

PubMed

Reddy, Ch Sridhar; Prasad, M Durga

2016-04-28

An effective time dependent approach based on a method that is similar to the Gaussian wave packet propagation (GWP) technique of Heller is developed for the computation of vibrationally resolved electronic spectra at finite temperatures in the harmonic, Franck-Condon/Hertzberg-Teller approximations. Since the vibrational thermal density matrix of the ground electronic surface and the time evolution operator on that surface commute, it is possible to write the spectrum generating correlation function as a trace of the time evolved doorway state. In the stated approximations, the doorway state is a superposition of the harmonic oscillator zero and one quantum eigenfunctions and thus can be propagated by the GWP. The algorithm has an O(N(3)) dependence on the number of vibrational modes. An application to pyrene absorption spectrum at two temperatures is presented as a proof of the concept.

Higher Harmonic Control for Tiltrotor Vibration Reduction

NASA Technical Reports Server (NTRS)

Nixon, Mark W.; Kvaternik, Raymond G.; Settle, T. Ben

1997-01-01

The results of a joint NASA/Army/Bell Helicopter Textron wind-tunnel test to assess the potential of higher harmonic control (HHC) for reducing vibrations in tiltrotor aircraft operating in the airplane mode of flight, and to evaluate the effectiveness of a Bell-developed HHC algorithm called MAVSS (Multipoint Adaptive Vibration Suppression System) are presented. The test was conducted in the Langley Transonic Dynamics Tunnel using an unpowered 1/5- scale semispan aeroelastic model of the V-22 which was modified to incorporate an HHC system employing both the rotor swashplate and the wing flaperon. The effectiveness of the swashplate and the flaperon acting either singly or in combination in reducing 1P and 3P wing vibrations over a wide range of tunnel airspeeds and rotor rotational speeds was demonstrated. The MAVSS algorithm was found to be robust to variations in tunnel airspeed and rotor speed, requiring only occasion-al on-line recalculations of the system transfer matrix.

Validation of a hybrid electromagnetic-piezoelectric vibration energy harvester

NASA Astrophysics Data System (ADS)

Edwards, Bryn; Hu, Patrick A.; Aw, Kean C.

2016-05-01

This paper presents a low frequency vibration energy harvester with contact based frequency up-conversion and hybrid electromagnetic-piezoelectric transduction. An electromagnetic generator is proposed as a power source for low power wearable electronic devices, while a second piezoelectric generator is investigated as a potential power source for a power conditioning circuit for the electromagnetic transducer output. Simulations and experiments are conducted in order to verify the behaviour of the device under harmonic as well as wide-band excitations across two key design parameters—the length of the piezoelectric beam and the excitation frequency. Experimental results demonstrated that the device achieved a power output between 25.5 and 34 μW at an root mean squared (rms) voltage level between 16 and 18.5 mV for the electromagnetic transducer in the excitation frequency range of 3-7 Hz, while the output power of the piezoelectric transducer ranged from 5 to 10.5 μW with a minimum peak-to-peak output voltage of 6 V. A multivariate model validation was performed between experimental and simulation results under wide-band excitation in terms of the rms voltage outputs of the electromagnetic and piezoelectric transducers, as well as the peak-to-peak voltage output of the piezoelectric transducer, and it is found that the experimental data fit the model predictions with a minimum probability of 63.4% across the parameter space.

Spectroscopic (FTIR, FT-Raman), molecular electrostatic potential, NBO and HOMO-LUMO analysis of P-bromobenzene sulfonyl chloride based on DFT calculations

NASA Astrophysics Data System (ADS)

Jeyavijayan, S.

2015-02-01

The FTIR and FT-Raman spectra of P-bromobenzene sulfonyl chloride (P-BBSC) have been recorded in the regions 4000-400 cm-1 and 3500-50 cm-1, respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound were carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities, were calculated by density functional theory (DFT/B3LYP) method. A good agreement between experimental and calculated normal modes of vibrations has been observed. A detailed interpretation of the infrared and Raman spectra of P-BBSC is also reported based on total energy distribution (TED). Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The MEP map shows the negative potential sites are on oxygen atoms as well as the positive potential sites are around the hydrogen atoms. The UV-vis spectral analysis of P-BBSC has also been done which confirms the charge transfer of the molecule.

Synthesis, FTIR, FT-Raman, UV-visible, ab initio and DFT studies on benzohydrazide.

PubMed

Arjunan, V; Rani, T; Mythili, C V; Mohan, S

2011-08-01

A systematic vibrational spectroscopic assignment and analysis of benzohydrazide (BH) has been carried out by using FTIR and FT-Raman spectral data. The vibrational analysis were aided by electronic structure calculations--ab initio (RHF) and hybrid density functional methods (B3LYP and B3PW91) performed with 6-31G(d,p) and 6-311++G(d,p) basis sets. Molecular equilibrium geometries, electronic energies, IR intensities, harmonic vibrational frequencies, depolarization ratios and Raman activities have been computed. Potential energy distribution (PED) and normal mode analysis have also been performed. The assignments proposed based on the experimental IR and Raman spectra have been reviewed and complete assignment of the observed spectra have been proposed. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λ(max) were determined by time-dependent DFT (TD-DFT) method. The geometrical, thermodynamical parameters and absorption wavelengths were compared with the experimental data. The interactions of carbonyl and hydrazide groups on the benzene ring skeletal modes were investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

Spectroscopic studies and quantum chemical investigations of (3,4-dimethoxybenzylidene) propanedinitrile

NASA Astrophysics Data System (ADS)

Gupta, Ujval; Kumar, Vinay; Singh, Vivek K.; Kant, Rajni; Khajuria, Yugal

2015-04-01

The Fourier Transform Infrared (FTIR), Ultra-Violet Visible (UV-Vis) spectroscopy and Thermogravimetric (TG) analysis of (3,4-dimethoxybenzylidene) propanedinitrile have been carried out and investigated using quantum chemical calculations. The molecular geometry, harmonic vibrational frequencies, Mulliken charges, natural atomic charges and thermodynamic properties in the ground state have been investigated by using Hartree Fock Theory (HF) and Density Functional Theory (DFT) using B3LYP functional with 6-311G(d,p) basis set. Both HF and DFT methods yield good agreement with the experimental data. Vibrational modes are assigned with the help of Vibrational Energy Distribution Analysis (VEDA) program. UV-Visible spectrum was recorded in the spectral range of 190-800 nm and the results are compared with the calculated values using TD-DFT approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results obtained from the studies of Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) are used to calculate molecular parameters like ionization potential, electron affinity, global hardness, electron chemical potential and global electrophilicity.

Uncertainties in scaling factors for ab initio vibrational zero-point energies

NASA Astrophysics Data System (ADS)

Irikura, Karl K.; Johnson, Russell D.; Kacker, Raghu N.; Kessel, Rüdiger

2009-03-01

Vibrational zero-point energies (ZPEs) determined from ab initio calculations are often scaled by empirical factors. An empirical scaling factor partially compensates for the effects arising from vibrational anharmonicity and incomplete treatment of electron correlation. These effects are not random but are systematic. We report scaling factors for 32 combinations of theory and basis set, intended for predicting ZPEs from computed harmonic frequencies. An empirical scaling factor carries uncertainty. We quantify and report, for the first time, the uncertainties associated with scaling factors for ZPE. The uncertainties are larger than generally acknowledged; the scaling factors have only two significant digits. For example, the scaling factor for B3LYP/6-31G(d) is 0.9757±0.0224 (standard uncertainty). The uncertainties in the scaling factors lead to corresponding uncertainties in predicted ZPEs. The proposed method for quantifying the uncertainties associated with scaling factors is based upon the Guide to the Expression of Uncertainty in Measurement, published by the International Organization for Standardization. We also present a new reference set of 60 diatomic and 15 polyatomic "experimental" ZPEs that includes estimated uncertainties.

Modeling and analysis of a flywheel microvibration isolation system for spacecrafts

NASA Astrophysics Data System (ADS)

Wei, Zhanji; Li, Dongxu; Luo, Qing; Jiang, Jianping

2015-01-01

The microvibrations generated by flywheels running at full speed onboard high precision spacecrafts will affect stability of the spacecraft bus and further degrade pointing accuracy of the payload. A passive vibration isolation platform comprised of multi-segment zig-zag beams is proposed to isolate disturbances of the flywheel. By considering the flywheel and the platform as an integral system with gyroscopic effects, an equivalent dynamic model is developed and verified through eigenvalue and frequency response analysis. The critical speeds of the system are deduced and expressed as functions of system parameters. The vibration isolation performance of the platform under synchronal and high-order harmonic disturbances caused by the flywheel is investigated. It is found that the speed range within which the passive platform is effective and the disturbance decay rate of the system are greatly influenced by the locations of the critical speeds. Structure optimization of the platform is carried out to enhance its performance. Simulation results show that a properly designed vibration isolation platform can effectively reduce disturbances emitted by the flywheel operating above the critical speeds of the system.

Ab initio structural and spectroscopic study of HPS{sup x} and HSP{sup x} (x = 0,+1,−1) in the gas phase

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

Yaghlane, Saida Ben; Cotton, C. Eric; Francisco, Joseph S., E-mail: francisc@purdue.edu, E-mail: hochlaf@univ-mlv.fr

2013-11-07

Accurate ab initio computations of structural and spectroscopic parameters for the HPS/HSP molecules and corresponding cations and anions have been performed. For the electronic structure computations, standard and explicitly correlated coupled cluster techniques in conjunction with large basis sets have been adopted. In particular, we present equilibrium geometries, rotational constants, harmonic vibrational frequencies, adiabatic ionization energies, electron affinities, and, for the neutral species, singlet-triplet relative energies. Besides, the full-dimensional potential energy surfaces (PESs) for HPS{sup x} and HSP{sup x} (x = −1,0,1) systems have been generated at the standard coupled cluster level with a basis set of augmented quintuple-zeta quality.more » By applying perturbation theory to the calculated PESs, an extended set of spectroscopic constants, including τ, first-order centrifugal distortion and anharmonic vibrational constants has been obtained. In addition, the potentials have been used in a variational approach to deduce the whole pattern of vibrational levels up to 4000 cm{sup −1} above the minima of the corresponding PESs.« less

Prediction and measurements of vibrations from a railway track lying on a peaty ground

NASA Astrophysics Data System (ADS)

Picoux, B.; Rotinat, R.; Regoin, J. P.; Le Houédec, D.

2003-10-01

This paper introduces a two-dimensional model for the response of the ground surface due to vibrations generated by a railway traffic. A semi-analytical wave propagation model is introduced which is subjected to a set of harmonic moving loads and based on a calculation method of the dynamic stiffness matrix of the ground. In order to model a complete railway system, the effect of a simple track model is taken into account including rails, sleepers and ballast especially designed for the study of low vibration frequencies. The priority has been given to a simple formulation based on the principle of spatial Fourier transforms compatible with good numerical efficiency and yet providing quick solutions. In addition, in situ measurements for a soft soil near a railway track were carried out and will be used to validate the numerical implementation. The numerical and experimental results constitute a significant body of useful data to, on the one hand, characterize the response of the environment of tracks and, on the other hand, appreciate the importance of the speed and weight on the behaviour of the structure.

A dynamic and harmonic damped finite element analysis model of stapedotomy.

PubMed

Blayney, A W; Williams, K R; Rice, H J

1997-03-01

This study was undertaken in an attempt to better understand the mechanics of sound transmission at the footplate following stapedotomy. The insertion of a Teflon (polytetrafluoroethylene) stapes prosthesis introduces new constraints within the reconstructed ossicular chain which have an effect on the normal vibration patterns of the tympanic membrane. In a finite element model of the ear, constraints have been reproduced as a series of spring constants in the incus/prosthesis/footplate interfaces incorporating damping to simulate the impedance of the inner ear. At zero damping, the frequency response at the pseudo stapes footplate exhibit several maxima and minima between 800 Hz and 2.5 Hz. At higher damping values, these maxima and minima become smoothened out with two or three naturals occurring over the same frequency range. Severe ankylosis of a diseased footplate is reproduced by over-damped conditions. The umbo, incus and stapes footplate vibrate in phase with similar frequencies at light damping levels. The movement of the prosthesis at the pseudo-footplate can be large in the out of plane axis of the ossicular chain, unless sufficient support is provided at the reconstructed footplate. Clinically, this would suggest the vein graft interposed between the piston and stapedotomy hole should endow resistance and elasticity to the system.

Adaptive Inverse Control for Rotorcraft Vibration Reduction

NASA Technical Reports Server (NTRS)

Jacklin, Stephen A.

1985-01-01

This thesis extends the Least Mean Square (LMS) algorithm to solve the mult!ple-input, multiple-output problem of alleviating N/Rev (revolutions per minute by number of blades) helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the higher harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. For higher order transfer matrices, a rough estimate of the inverse is needed to start the algorithm efficiently. The simulation results indicate that the factor which most influences LMS adaptive inverse control is the product of the control relaxation and the the stability gain matrix. A small stability gain matrix makes the controller less sensitive to relaxation selection, and permits faster and more stable vibration reduction, than by choosing the stability gain matrix large and the control relaxation term small. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification. In the simulation studies, the LMS adaptive inverse control algorithm is shown to be capable of adapting the inverse (controller) matrix to track changes in the flight conditions. The algorithm converges quickly for moderate disturbances, while taking longer for larger disturbances. Perfect knowledge of the inverse matrix is not required for good control of the N/Rev vibration. However it is shown that measurement noise will prevent the LMS adaptive inverse control technique from controlling the vibration, unless the signal averaging method presented is incorporated into the algorithm.

Acoustic challenges of the A400M for active systems

NASA Astrophysics Data System (ADS)

Breitbach, Harald; Sachau, Delf; Böhme, Sten

2006-03-01

In some types of aircraft tonal interior noise with high sound pressure level (up to 110 dB(A)) occurs at low frequencies (f < 500 Hz). Typical examples are propeller driven aircraft, for which the excitation frequencies are given by the blade passage frequency (BPF) and its higher harmonics. The high tonal noise levels at these frequencies can occur due to the fact that the blades' profiles are only optimized in terms of aerodynamics. The acoustic properties are usually not taken into account. In order to obtain an acceptable interior noise level, and to guarantee both work-safety and comfort in the aircraft interiors, passive methods are commonly used - e.g. adding material with high damping or vibration absorbing qualities. Especially when low frequency noise has to be reduced, adding material results in a lot of unwanted additional weight. In order to avoid this extra weight, the concept of active noise reduction (ANR) and tunable vibration absorber systems (TVA), which focus on the unwanted tonal noise, are a good compromise of treating noise and the amount of additional weight in aircraft design. This paper briefly discusses two different possible methods to reduce the low frequency noise. The noise reduction of tuned vibration absorbers (TVA) mounted on the airframe are nowadays commonly used in propeller driven aircraft and can be predicted by vibroacoustic finite element calculations, which is described in this paper. In order to abide to industrial safety regulations, the noise level inside the semi closed loadmaster area (LMA) must be reduced down to a noise level, which is even 8 dB(A) below the specified cargo hold noise level. The paper describes also the phases of development of an ANR system that could be used to control the sound pressure level inside the LMA. The concept is verified by experimental investigations within a mock up of the LMA.

Effect of magnet/slot combination on triple-frequency magnetic force and vibration of permanent magnet motors

NASA Astrophysics Data System (ADS)

Huo, Mina; Wang, Shiyu; Xiu, Jie; Cao, Shuqian

2013-10-01

The relationship between magnet/slot combination and magnetic forces including unbalanced magnetic force (UMF) and cogging torque (CT) of permanent magnet (PM) motors is investigated by using superposition principle and mechanical and magnetic symmetries. The results show that magnetic force can be produced by all magnets passing a single slot, by all slots passing a single magnet, or by eccentricity, which respectively correspond to three frequency components. The results further show that net force/torque can be classified into three typical cases: UMF is suppressed and CT is excited, UMF excited and CT suppressed, and UMF and CT both suppressed, and consequently possible vibrations include three unique groups: rotational modes, translational modes, and balanced modes. The conclusion that combinations with the greatest common divisor (GCD) greater than unity can avoid UMF is mathematically verified, and at the same time lower CT harmonics are preliminarily addressed by the typical excitations. The above findings can create simple guidelines for the suppression of certain UMF and/or CT by using suitable combinations, which in turn can present approach to yield a more desirable response in high performance applications. The superposition effect and predicted relationship are verified by the transient magnetic Finite Element method. Since this work is motivated by symmetries, comparisons are made in order to give further insight into the inner force and vibration behaviors of general rotary power-transmission systems.

Nonlinear vibration of double-walled boron nitride and carbon nanopeapods under multi-physical fields with consideration of surface stress effects

NASA Astrophysics Data System (ADS)

Ghorbanpour Arani, A.; Sabzeali, M.; BabaAkbar Zarei, H.

2017-12-01

In this study, the nonlinear thermo-electro vibrations of double-walled boron nitride nanopeapods (DWBNNPPs) and double-walled carbon nanopeapods (DWCNPPs) under magnetic field embedded in an elastic medium is investigated. DWBNNPPs are made of piezoelectric and smart materials therefore, electric field is effective on them; meanwhile, DWCNPPs are made of carbon thus, magnetic field can be useful to control them. The Pasternak model is used to simulate the effects of elastic medium which surrounds the system. Nanotubes are modeled with assumption of the Euler-Bernoulli beam (EBB) theory and the surface effects are considered to achieve accurate response of the system. Moreover, interaction between two layers is modeled by van der Waals (vdW) forces. The equations of motion are derived using the energy method and the Hamilton principle. Then the governing equations are solved by using Galerkin's method and incremental harmonic balance method (IHBM). The influences of various parameters such as the magnetic field, different types of DWCNPPs and DWBNNPPs, elastic medium, existence of fullerene and surface effect on the vibration behavior of the system are investigated. The results demonstrate that DWBNNPPs have more influence on the frequency of the system than DWCNPPs. In addition, the presence of fullerene in nanotubes has a negative impact on the frequency behavior of revisionthe system.

A CWT-based methodology for piston slap experimental characterization

NASA Astrophysics Data System (ADS)

Buzzoni, M.; Mucchi, E.; Dalpiaz, G.

2017-03-01

Noise and vibration control in mechanical systems has become ever more significant for automotive industry where the comfort of the passenger compartment represents a challenging issue for car manufacturers. The reduction of piston slap noise is pivotal for a good design of IC engines. In this scenario, a methodology has been developed for the vibro-acoustic assessment of IC diesel engines by means of design changes in piston to cylinder bore clearance. Vibration signals have been analysed by means of advanced signal processing techniques taking advantage of cyclostationarity theory. The procedure departs from the analysis of the Continuous Wavelet Transform (CWT) in order to identify a representative frequency band of piston slap phenomenon. Such a frequency band has been exploited as the input data in the further signal processing analysis that involves the envelope analysis of the second order cyclostationary component of the signal. The second order harmonic component has been used as the benchmark parameter of piston slap noise. An experimental procedure of vibrational benchmarking is proposed and verified at different operational conditions in real IC engines actually equipped on cars. This study clearly underlines the crucial role of the transducer positioning when differences among real piston-to-cylinder clearances are considered. In particular, the proposed methodology is effective for the sensors placed on the outer cylinder wall in all the tested conditions.

Laser Imaging of Airborne Acoustic Emission by Nonlinear Defects

NASA Astrophysics Data System (ADS)

Solodov, Igor; Döring, Daniel; Busse, Gerd

2008-06-01

Strongly nonlinear vibrations of near-surface fractured defects driven by an elastic wave radiate acoustic energy into adjacent air in a wide frequency range. The variations of pressure in the emitted airborne waves change the refractive index of air thus providing an acoustooptic interaction with a collimated laser beam. Such an air-coupled vibrometry (ACV) is proposed for detecting and imaging of acoustic radiation of nonlinear spectral components by cracked defects. The photoelastic relation in air is used to derive induced phase modulation of laser light in the heterodyne interferometer setup. The sensitivity of the scanning ACV to different spatial components of the acoustic radiation is analyzed. The animated airborne emission patterns are visualized for the higher harmonic and frequency mixing fields radiated by planar defects. The results confirm a high localization of the nonlinear acoustic emission around the defects and complicated directivity patterns appreciably different from those observed for fundamental frequencies.

Modeling of Soft Poroelastic Tissue in Time-Harmonic MR Elastography

PubMed Central

Perriñez, Phillip R.; Kennedy, Francis E.; Van Houten, Elijah E. W.; Weaver, John B.; Paulsen, Keith D.

2010-01-01

Elastography is an emerging imaging technique that focuses on assessing the resistance to deformation of soft biological tissues in vivo. Magnetic resonance elastography (MRE) uses measured displacement fields resulting from low-amplitude, low-frequency (10 Hz–1 kHz) time-harmonic vibration to recover images of the elastic property distribution of tissues including breast, liver, muscle, prostate, and brain. While many soft tissues display complex time-dependent behavior not described by linear elasticity, the models most commonly employed in MRE parameter reconstructions are based on elastic assumptions. Further, elasticity models fail to include the interstitial fluid phase present in vivo. Alternative continuum models, such as consolidation theory, are able to represent tissue and other materials comprising two distinct phases, generally consisting of a porous elastic solid and penetrating fluid. MRE reconstructions of simulated elastic and poroelastic phantoms were performed to investigate the limitations of current-elasticity-based methods in producing accurate elastic parameter estimates in poroelastic media. The results indicate that linearly elastic reconstructions of fluid-saturated porous media at amplitudes and frequencies relevant to steady-state MRE can yield misleading effective property distributions resulting from the complex interaction between their solid and fluid phases. PMID:19272864

Guitar Strings as Standing Waves: A Demonstration

ERIC Educational Resources Information Center

Davis, Michael

2007-01-01

The study demonstrates the induction of one-dimensional standing waves, called "natural-harmonics" on a guitar to provide a unique tone. The analysis shows that a normally complex vibration is composed of a number of simple and discrete vibrations.

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

PubMed

Hwang, Inwook; Seo, Jeongil; Choi, Seungmoon

2017-01-01

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

A Vibration-Based MEMS Piezoelectric Energy Harvester and Power Conditioning Circuit

PubMed Central

Yu, Hua; Zhou, Jielin; Deng, Licheng; Wen, Zhiyu

2014-01-01

This paper presents a micro-electro-mechanical system (MEMS) piezoelectric power generator array for vibration energy harvesting. A complete design flow of the vibration-based energy harvester using the finite element method (FEM) is proposed. The modal analysis is selected to calculate the resonant frequency of the harvester, and harmonic analysis is performed to investigate the influence of the geometric parameters on the output voltage. Based on simulation results, a MEMS Pb(Zr,Ti)O3 (PZT) cantilever array with an integrated large Si proof mass is designed and fabricated to improve output voltage and power. Test results show that the fabricated generator, with five cantilever beams (with unit dimensions of about 3 × 2.4 × 0.05 mm3) and an individual integrated Si mass dimension of about 8 × 12.4 × 0.5 mm3, produces a output power of 66.75 μW, or a power density of 5.19 μW·mm−3·g−2 with an optimal resistive load of 220 kΩ from 5 m/s2 vibration acceleration at its resonant frequency of 234.5 Hz. In view of high internal impedance characteristic of the PZT generator, an efficient autonomous power conditioning circuit, with the function of impedance matching, energy storage and voltage regulation, is then presented, finding that the efficiency of the energy storage is greatly improved and up to 64.95%. The proposed self-supplied energy generator with power conditioning circuit could provide a very promising complete power supply solution for wireless sensor node loads. PMID:24556670

A vibration-based MEMS piezoelectric energy harvester and power conditioning circuit.

PubMed

Yu, Hua; Zhou, Jielin; Deng, Licheng; Wen, Zhiyu

2014-02-19

This paper presents a micro-electro-mechanical system (MEMS) piezoelectric power generator array for vibration energy harvesting. A complete design flow of the vibration-based energy harvester using the finite element method (FEM) is proposed. The modal analysis is selected to calculate the resonant frequency of the harvester, and harmonic analysis is performed to investigate the influence of the geometric parameters on the output voltage. Based on simulation results, a MEMS Pb(Zr,Ti)O3 (PZT) cantilever array with an integrated large Si proof mass is designed and fabricated to improve output voltage and power. Test results show that the fabricated generator, with five cantilever beams (with unit dimensions of about 3 × 2.4 × 0.05 mm3) and an individual integrated Si mass dimension of about 8 × 12.4 × 0.5 mm3, produces a output power of 66.75 μW, or a power density of 5.19 μW∙mm-3∙g-2 with an optimal resistive load of 220 kΩ from 5 m/s2 vibration acceleration at its resonant frequency of 234.5 Hz. In view of high internal impedance characteristic of the PZT generator, an efficient autonomous power conditioning circuit, with the function of impedance matching, energy storage and voltage regulation, is then presented, finding that the efficiency of the energy storage is greatly improved and up to 64.95%. The proposed self-supplied energy generator with power conditioning circuit could provide a very promising complete power supply solution for wireless sensor node loads.

Nonlinear vibration of viscoelastic beams described using fractional order derivatives

NASA Astrophysics Data System (ADS)

Lewandowski, Roman; Wielentejczyk, Przemysław

2017-07-01

The problem of non-linear, steady state vibration of beams, harmonically excited by harmonic forces is investigated in the paper. The viscoelastic material of the beams is described using the Zener rheological model with fractional derivatives. The constitutive equation, which contains derivatives of both stress and strain, significantly complicates the solution to the problem. The von Karman theory is applied to take into account geometric nonlinearities. Amplitude equations are obtained using the finite element method together with the harmonic balance method, and solved using the continuation method. The tangent matrix of the amplitude equations is determined in an explicit form. The stability of the steady-state solution is also examined. A parametric study is carried out to determine the influence of viscoelastic properties of the material on the beam's responses.

Aeroelastic analysis for helicopter rotors with blade appended pendulum vibration absorbers. Mathematical derivations and program user's manual

NASA Technical Reports Server (NTRS)

Bielawa, R. L.

1982-01-01

Mathematical development is presented for the expanded capabilities of the United Technologies Research Center (UTRC) G400 Rotor Aeroelastic Analysis. This expanded analysis, G400PA, simulates the dynamics of teetered rotors, blade pendulum vibration absorbers and the higher harmonic excitations resulting from prescribed vibratory hub motions and higher harmonic blade pitch control. Formulations are also presented for calculating the rotor impedance matrix appropriate to these higher harmonic blade excitations. This impedance matrix and the associated vibratory hub loads are intended as the rotor blade characteristics elements for use in the Simplified Coupled Rotor/Fuselage Vibration Analysis (SIMVIB). Sections are included presenting updates to the development of the original G400 theory, and material appropriate to the user of the G400PA computer program. This material includes: (1) a general descriptionof the tructuring of the G400PA FORTRAN coding, (2) a detaild description of the required input data and other useful information for successfully running the program, and (3) a detailed description of the output results.

The Green's matrix and the boundary integral equations for analysis of time-harmonic dynamics of elastic helical springs.

PubMed

Sorokin, Sergey V

2011-03-01

Helical springs serve as vibration isolators in virtually any suspension system. Various exact and approximate methods may be employed to determine the eigenfrequencies of vibrations of these structural elements and their dynamic transfer functions. The method of boundary integral equations is a meaningful alternative to obtain exact solutions of problems of the time-harmonic dynamics of elastic springs in the framework of Bernoulli-Euler beam theory. In this paper, the derivations of the Green's matrix, of the Somigliana's identities, and of the boundary integral equations are presented. The vibrational power transmission in an infinitely long spring is analyzed by means of the Green's matrix. The eigenfrequencies and the dynamic transfer functions are found by solving the boundary integral equations. In the course of analysis, the essential features and advantages of the method of boundary integral equations are highlighted. The reported analytical results may be used to study the time-harmonic motion in any wave guide governed by a system of linear differential equations in a single spatial coordinate along its axis. © 2011 Acoustical Society of America

Social waves in giant honeybees (Apis dorsata) elicit nest vibrations.

PubMed

Kastberger, Gerald; Weihmann, Frank; Hoetzl, Thomas

2013-07-01

Giant honeybees (Apis dorsata) nest in the open and have developed a wide array of strategies for colony defence, including the Mexican wave-like shimmering behaviour. In this collective response, the colony members perform upward flipping of their abdomens in coordinated cascades across the nest surface. The time-space properties of these emergent waves are response patterns which have become of adaptive significance for repelling enemies in the visual domain. We report for the first time that the mechanical impulse patterns provoked by these social waves and measured by laser Doppler vibrometry generate vibrations at the central comb of the nest at the basic (='natural') frequency of 2.156 ± 0.042 Hz which is more than double the average repetition rate of the driving shimmering waves. Analysis of the Fourier spectra of the comb vibrations under quiescence and arousal conditions provoked by mass flight activity and shimmering waves gives rise to the proposal of two possible models for the compound physical system of the bee nest: According to the elastic oscillatory plate model, the comb vibrations deliver supra-threshold cues preferentially to those colony members positioned close to the comb. The mechanical pendulum model predicts that the comb vibrations are sensed by the members of the bee curtain in general, enabling mechanoreceptive signalling across the nest, also through the comb itself. The findings show that weak and stochastic forces, such as general quiescence or diffuse mass flight activity, cause a harmonic frequency spectrum of the comb, driving the comb as an elastic plate. However, shimmering waves provide sufficiently strong forces to move the nest as a mechanical pendulum. This vibratory behaviour may support the colony-intrinsic information hypothesis herein that the mechanical vibrations of the comb provoked by shimmering do have the potential to facilitate immediate communication of the momentary defensive state of the honeybee nest to the majority of its members.

Social waves in giant honeybees ( Apis dorsata) elicit nest vibrations

NASA Astrophysics Data System (ADS)

Kastberger, Gerald; Weihmann, Frank; Hoetzl, Thomas

2013-07-01

Giant honeybees ( Apis dorsata) nest in the open and have developed a wide array of strategies for colony defence, including the Mexican wave-like shimmering behaviour. In this collective response, the colony members perform upward flipping of their abdomens in coordinated cascades across the nest surface. The time-space properties of these emergent waves are response patterns which have become of adaptive significance for repelling enemies in the visual domain. We report for the first time that the mechanical impulse patterns provoked by these social waves and measured by laser Doppler vibrometry generate vibrations at the central comb of the nest at the basic (=`natural') frequency of 2.156 ± 0.042 Hz which is more than double the average repetition rate of the driving shimmering waves. Analysis of the Fourier spectra of the comb vibrations under quiescence and arousal conditions provoked by mass flight activity and shimmering waves gives rise to the proposal of two possible models for the compound physical system of the bee nest: According to the elastic oscillatory plate model, the comb vibrations deliver supra-threshold cues preferentially to those colony members positioned close to the comb. The mechanical pendulum model predicts that the comb vibrations are sensed by the members of the bee curtain in general, enabling mechanoreceptive signalling across the nest, also through the comb itself. The findings show that weak and stochastic forces, such as general quiescence or diffuse mass flight activity, cause a harmonic frequency spectrum of the comb, driving the comb as an elastic plate. However, shimmering waves provide sufficiently strong forces to move the nest as a mechanical pendulum. This vibratory behaviour may support the colony-intrinsic information hypothesis herein that the mechanical vibrations of the comb provoked by shimmering do have the potential to facilitate immediate communication of the momentary defensive state of the honeybee nest to the majority of its members.

Quantitative assessment of corneal vibrations during intraocular pressure measurement with the air-puff method in patients with keratoconus.

PubMed

Koprowski, Robert; Ambrósio, Renato

2015-11-01

One of the current methods for measuring intraocular pressure is the air-puff method. A tonometer which uses this method is the Corvis device. With the ultra-high-speed (UHS) Scheimpflug camera, it is also possible to observe corneal deformation during measurement. The use of modern image analysis and processing methods allows for analysis of higher harmonics of corneal deflection above 100 Hz. 493 eyes of healthy subjects and 279 eyes of patients with keratoconus were used in the measurements. For each eye, 140 corneal deformation images were recorded during intraocular pressure measurement. Each image was recorded every 230 µs and had a resolution of 200 × 576 pixels. A new, original algorithm for image analysis and processing has been proposed. It enables to separate the eyeball reaction as well as low-frequency and high-frequency corneal deformations from the eye response to an air puff. Furthermore, a method for classification of healthy subjects and patients with keratoconus based on decision trees has been proposed. The obtained results confirm the possibility to distinguish between patients with keratoconus and healthy subjects. The features used in this classification are directly related to corneal vibrations. They are only available in the proposed software and provide specificity of 98%, sensitivity-85%, and accuracy-92%. This confirms the usefulness of the proposed method in this type of classification that uses corneal vibrations during intraocular pressure measurement with the Corvis tonometer. With the new proposed algorithm for image analysis and processing allowing for the separation of individual features from a corneal deformation image, it is possible to: automatically measure corneal vibrations in a few characteristic points of the cornea, obtain fully repeatable measurement of vibrations for the same registered sequence of images and measure vibration parameters for large inter-individual variability in patients. Copyright © 2015 Elsevier Ltd. All rights reserved.

The behaviour of lubricated EHD contacts subjected to vibrations

NASA Astrophysics Data System (ADS)

Zhang, X.; Glovnea, R. P.

2017-02-01

Machine components containing contacts working in elastohydrodynamic (EHD) conditions are often subjected to vibrations. These may be originated from the mechanism or machine the contact is part of, the surrounding environment and within the contact itself. The influence of vibrations upon the behaviour of elastohydrodynamic films has been studied experimentally in a number of papers, but a comprehensive study of the effect of the parameters of the oscillatory motion upon the film thickness has not been carried out yet. In this study the authors evaluate the effect of the frequency of the oscillatory motion upon the EHD film thickness. Optical interferometry is used to measure lubricant film thickness in a ball-on-flat disc arrangement. A high - speed camera records the interferometric images for later analysis and conversion into film thickness maps. The disc runs at a constant angular velocity while the ball is driven by the traction forces developed in the EHD film. In steady state conditions, this would ensure pure rolling conditions, however in the present investigation the ball is subjected to harmonic vibrations in a direction perpendicular to the plane of the film. The contact under study is lubricated by basic oils and the temperature is kept at a constant value of 60°C. The aim of this paper is to understand how vibrations influence the lubricant film formation.

Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

NASA Astrophysics Data System (ADS)

Xu, Yang; Song, Kai; Shi, Qiang

2018-03-01

The hydride transfer reaction catalyzed by dihydrofolate reductase is studied using a recently developed mixed quantum-classical method to investigate the nuclear quantum effects on the reaction. Molecular dynamics simulation is first performed based on a two-state empirical valence bond potential to map the atomistic model to an effective double-well potential coupled to a harmonic bath. In the mixed quantum-classical simulation, the hydride degree of freedom is quantized, and the effective harmonic oscillator modes are treated classically. It is shown that the hydride transfer reaction rate using the mapped effective double-well/harmonic-bath model is dominated by the contribution from the ground vibrational state. Further comparison with the adiabatic reaction rate constant based on the Kramers theory confirms that the reaction is primarily vibrationally adiabatic, which agrees well with the high transmission coefficients found in previous theoretical studies. The calculated kinetic isotope effect is also consistent with the experimental and recent theoretical results.

Helicopter vibration suppression using simple pendulum absorbers on the rotor blade

NASA Technical Reports Server (NTRS)

Pierce, G. A.; Hanouva, M. N. H.

1982-01-01

A comprehensive anaytical design procedure for the installation of simple pendulums on the blades of a helicopter rotor to suppress the root reactions is presented. A frequency response anaysis is conducted of typical rotor blades excited by a harmonic variation of spanwise airload distributions as well as a concentrated load at the tip. The results presented included the effect of pendulum tuning on the minimization of the hub reactions. It is found that a properly designed flapping pendulum attenuates the root out-of-plane force and moment whereas the optimum designed lead-lag pendulum attenuates the root in-plane reactions. For optimum pendulum tuning the parameters to be determined are the pendulum uncoupled natural frequency, the pendulum spanwise location and its mass. It is found that the optimum pendulum frequency is in the vicinity of the excitation frequency. For the optimum pendulum a parametric study is conducted. The parameters varied include prepitch, pretwist, precone and pendulum hinge offset.

Direct phase-locking of a 8.6-μm quantum cascade laser to a mid-IR optical frequency comb: application to precision spectroscopy of N2O.

PubMed

Gambetta, Alessio; Cassinerio, Marco; Coluccelli, Nicola; Fasci, Eugenio; Castrillo, Antonio; Gianfrani, Livio; Gatti, Davide; Marangoni, Marco; Laporta, Paolo; Galzerano, Gianluca

2015-02-01

We developed a high-precision spectroscopic system at 8.6 μm based on direct heterodyne detection and phase-locking of a room-temperature quantum-cascade-laser against an harmonic, 250-MHz mid-IR frequency comb obtained by difference-frequency generation. The ∼30  dB signal-to-noise ratio of the detected beat-note together with the achieved closed-loop locking bandwidth of ∼500  kHz allows for a residual integrated phase noise of 0.78 rad (1 Hz-5 MHz), for an ultimate resolution of ∼21  kHz, limited by the measured linewidth of the mid-IR comb. The system was used to perform absolute measurement of line-center frequencies for the rotational components of the ν2 vibrational band of N2O, with a relative precision of 3×10(-10).

Phonons in two-dimensional soft colloidal crystals.

PubMed

Chen, Ke; Still, Tim; Schoenholz, Samuel; Aptowicz, Kevin B; Schindler, Michael; Maggs, A C; Liu, Andrea J; Yodh, A G

2013-08-01

The vibrational modes of pristine and polycrystalline monolayer colloidal crystals composed of thermosensitive microgel particles are measured using video microscopy and covariance matrix analysis. At low frequencies, the Debye relation for two-dimensional harmonic crystals is observed in both crystal types; at higher frequencies, evidence for van Hove singularities in the phonon density of states is significantly smeared out by experimental noise and measurement statistics. The effects of these errors are analyzed using numerical simulations. We introduce methods to correct for these limitations, which can be applied to disordered systems as well as crystalline ones, and we show that application of the error correction procedure to the experimental data leads to more pronounced van Hove singularities in the pristine crystal. Finally, quasilocalized low-frequency modes in polycrystalline two-dimensional colloidal crystals are identified and demonstrated to correlate with structural defects such as dislocations, suggesting that quasilocalized low-frequency phonon modes may be used to identify local regions vulnerable to rearrangements in crystalline as well as amorphous solids.

Molecular vibrational states during a collision

NASA Technical Reports Server (NTRS)

Recamier, Jose A.; Jauregui, Rocio

1995-01-01

Alternative algebraic techniques to approximate a given Hamiltonian by a harmonic oscillator are described both for time-independent and time-dependent systems. We apply them to the description of a one dimensional atom-diatom collision. From the resulting evolution operator, we evaluate vibrational transition probabilities as well as other time-dependent properties. As expected, the ground vibrational state becomes a squeezed state during the collision.

Intensity distributions and isolated attosecond pulse generation from molecular high-order harmonic generation in H2+ driven by nonhomogeneous field

NASA Astrophysics Data System (ADS)

Feng, Liqiang; Chu, Tianshu

2017-10-01

Intensity distributions and isolated attosecond pulse generation from the molecular high-order harmonic generation (MHHG) in H2+ and T2+ driven by the nonhomogeneous field have been theoretically investigated. (i) Generally speaking, the intensities of the harmonics driven by the homogeneous field can be enhanced as the initial vibrational state increases and much more intense harmonics can be obtained from the light nuclei. However, with the introduction of the nonhomogeneous effect, the enhanced ratios of the harmonic yields are decreased as the initial vibrational state increases. Moreover, the intensities of the harmonics from H2+ and T2+ are very sensitive to the nonhomogeneous effect of the laser field. (ii) The contributions of the MHHG from the two-H nuclei present the periodic variation as a function of the laser phase for the case of the symmetric nonhomogeneous field. However, for the case of the positive and the negative asymmetric nonhomogeneous fields, the left-H and the right-H play the dominating role in the MHHG, respectively. Moreover, as the angle between the laser polarization direction and the molecular axis increases, the intensity differences of the harmonics from the two-H nuclei are increased. (iii) By properly adding a half-cycle pulse into the positive asymmetric nonhomogeneous field, a supercontinuum with the bandwidth of 279 eV and an isolated 25 as pulse can be obtained.

Frequency-chirp rates of harmonics driven by a few-cycle pulse

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

Murakami, M.; Mauritsson, J.; Gaarde, M.B.

2005-08-15

We present numerical calculations of the time-frequency characteristics of cutoff harmonics generated by few-cycle laser pulses. We find that for driving pulses as short as three optical cycles, the adiabatic prediction for the harmonic chirp rate is very accurate. This negative chirp is so large that the resulting bandwidth causes substantial overlap between neighboring harmonics, and the harmonic phase therefore appears to not vary in time or frequency. By adding a compensating positive chirp to the driving pulse, which reduces the harmonic bandwidth and allows for the appearance of the negative chirp, we can measure the harmonic chirp rates. Wemore » also find that the positive chirp on the driving pulse causes the harmonics to shift down in frequency. We show that this counterintuitive result is caused by the change in the strong field continuum dynamics introduced by the variation of the driving frequency with time.« less

A combined dynamic analysis method for geometrically nonlinear vibration isolators with elastic rings

NASA Astrophysics Data System (ADS)

Hu, Zhan; Zheng, Gangtie

2016-08-01

A combined analysis method is developed in the present paper for studying the dynamic properties of a type of geometrically nonlinear vibration isolator, which is composed of push-pull configuration rings. This method combines the geometrically nonlinear theory of curved beams and the Harmonic Balance Method to overcome the difficulty in calculating the vibration and vibration transmissibility under large deformations of the ring structure. Using the proposed method, nonlinear dynamic behaviors of this isolator, such as the lock situation due to the coulomb damping and the usual jump resulting from the nonlinear stiffness, can be investigated. Numerical solutions based on the primary harmonic balance are first verified by direct integration results. Then, the whole procedure of this combined analysis method is demonstrated and validated by slowly sinusoidal sweeping experiments with different amplitudes of the base excitation. Both numerical and experimental results indicate that this type of isolator behaves as a hardening spring with increasing amplitude of the base excitation, which makes it suitable for isolating both steady-state vibrations and transient shocks.

Harmonic generation with a dual frequency pulse.

PubMed

Keravnou, Christina P; Averkiou, Michalakis A

2014-05-01

Nonlinear imaging was implemented in commercial ultrasound systems over the last 15 years offering major advantages in many clinical applications. In this work, pulsing schemes coupled with a dual frequency pulse are presented. The pulsing schemes considered were pulse inversion, power modulation, and power modulated pulse inversion. The pulse contains a fundamental frequency f and a specified amount of its second harmonic 2f. The advantages and limitations of this method were evaluated with both acoustic measurements of harmonic generation and theoretical simulations based on the KZK equation. The use of two frequencies in a pulse results in the generation of the sum and difference frequency components in addition to the other harmonic components. While with single frequency pulses, only power modulation and power modulated pulse inversion contained odd harmonic components, with the dual frequency pulse, pulse inversion now also contains odd harmonic components.

Quantitative Index and Abnormal Alarm Strategy Using Sensor-Dependent Vibration Data for Blade Crack Identification in Centrifugal Booster Fans

PubMed Central

Chen, Jinglong; Sun, Hailiang; Wang, Shuai; He, Zhengjia

2016-01-01

Centrifugal booster fans are important equipment used to recover blast furnace gas (BFG) for generating electricity, but blade crack faults (BCFs) in centrifugal booster fans can lead to unscheduled breakdowns and potentially serious accidents, so in this work quantitative fault identification and an abnormal alarm strategy based on acquired historical sensor-dependent vibration data is proposed for implementing condition-based maintenance for this type of equipment. Firstly, three group dependent sensors are installed to acquire running condition data. Then a discrete spectrum interpolation method and short time Fourier transform (STFT) are applied to preliminarily identify the running data in the sensor-dependent vibration data. As a result a quantitative identification and abnormal alarm strategy based on compound indexes including the largest Lyapunov exponent and relative energy ratio at the second harmonic frequency component is proposed. Then for validation the proposed blade crack quantitative identification and abnormality alarm strategy is applied to analyze acquired experimental data for centrifugal booster fans and it has successfully identified incipient blade crack faults. In addition, the related mathematical modelling work is also introduced to investigate the effects of mistuning and cracks on the vibration features of centrifugal impellers and to explore effective techniques for crack detection. PMID:27171083

Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization

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

Han, Huixian; School of Physics, Northwest University, Xi’an, Shaanxi 710069; Li, Anyang

2014-12-28

A new full-dimensional global potential energy surface (PES) for the acetylene-vinylidene isomerization on the ground (S{sub 0}) electronic state has been constructed by fitting ∼37 000 high-level ab initio points using the permutation invariant polynomial-neural network method with a root mean square error of 9.54 cm{sup −1}. The geometries and harmonic vibrational frequencies of acetylene, vinylidene, and all other stationary points (two distinct transition states and one secondary minimum in between) have been determined on this PES. Furthermore, acetylene vibrational energy levels have been calculated using the Lanczos algorithm with an exact (J = 0) Hamiltonian. The vibrational energies upmore » to 12 700 cm{sup −1} above the zero-point energy are in excellent agreement with the experimentally derived effective Hamiltonians, suggesting that the PES is approaching spectroscopic accuracy. In addition, analyses of the wavefunctions confirm the experimentally observed emergence of the local bending and counter-rotational modes in the highly excited bending vibrational states. The reproduction of the experimentally derived effective Hamiltonians for highly excited bending states signals the coming of age for the ab initio based PES, which can now be trusted for studying the isomerization reaction.« less

Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT calculations

NASA Astrophysics Data System (ADS)

Kumar, Amit; Kumar, Rajesh; Gupta, Archana; Tandon, Poonam; D'silva, E. Deepak

2017-12-01

A collective experimental and theoretical study was conducted on the molecular structure and vibrational spectra of nonlinear optical chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one (3Br4MSP). The FT-IR and FT-Raman spectra of the molecule in the solid phase have been recorded. Density functional theory (DFT) calculations at B3LYP level with 6-311++G (d,p) basis set have been carried out to derive useful information about the molecular structure and to assign the relevant electronic and vibrational features. These calculations reveal that the optimized geometry closely resembles the experimental XRD data. The vibrational spectra were analyzed on the basis of the potential energy distribution (PED) of each vibrational mode, which allowed us to obtain a quantitative as well as qualitative interpretation of FT-IR and FT-Raman spectra. The UV-vis spectrum was recorded in methanol solution. The excited state properties have been determined by TD-DFT method and the effect of solvent was analyzed by PCM model. The most prominent transition corresponds to π→π∗. The reactivity parameters as chemical potential, global hardness, and electrophilicity index have also been calculated. To provide an explicit assignment and analysis of 13C and 1H NMR spectra, theoretical calculations on chemical shift of the title compound were done through GIAO method at B3LYP/6-311++G (d,p) level. The Mulliken's population analysis shows one of the simplest pictures of charge distribution. The standard statistical thermodynamic functions like heat capacity at constant pressure (Cop,m), entropy (Som) and enthalpy (Hom) were obtained from the theoretical harmonic frequencies for the optimized molecule. The nonlinear optical properties of title molecule are also addressed theoretically. Two contributions, vibrational and electronic, to the electrical properties polarizability and first order hyperpolarizability of 3Br4MSP have been evaluated using the self-consistent field wave functions within the double harmonic oscillator approximation.

Automatic characteristic frequency association and all-sideband demodulation for the detection of a bearing fault

NASA Astrophysics Data System (ADS)

Firla, Marcin; Li, Zhong-Yang; Martin, Nadine; Pachaud, Christian; Barszcz, Tomasz

2016-12-01

This paper proposes advanced signal-processing techniques to improve condition monitoring of operating machines. The proposed methods use the results of a blind spectrum interpretation that includes harmonic and sideband series detection. The first contribution of this study is an algorithm for automatic association of harmonic and sideband series to characteristic fault frequencies according to a kinematic configuration. The approach proposed has the advantage of taking into account a possible slip of the rolling-element bearings. In the second part, we propose a full-band demodulation process from all sidebands that are relevant to the spectral estimation. To do so, a multi-rate filtering process in an iterative schema provides satisfying precision and stability over the targeted demodulation band, even for unsymmetrical and extremely narrow bands. After synchronous averaging, the filtered signal is demodulated for calculation of the amplitude and frequency modulation functions, and then any features that indicate faults. Finally, the proposed algorithms are validated on vibration signals measured on a test rig that was designed as part of the European Innovation Project 'KAStrion'. This rig simulates a wind turbine drive train at a smaller scale. The data show the robustness of the method for localizing and extracting a fault on the main bearing. The evolution of the proposed features is a good indicator of the fault severity.

Materials for MW sized aerogenerators. I - The influence of design on operating parameters

NASA Astrophysics Data System (ADS)

Wyatt, L. M.

1983-09-01

Materials and fatigue design deficiencies in the development and production of MW-scale wind turbines with 30-yr, reliable, cost-effective lifetimes are surveyed. Attention is given to existing wind turbines, the performance of materials to date, and fundamental materials properties. Failures thus far have arisen from the coincidence of fundamental vibration frequency or a low order harmonic of components with an exciting frequency, malfunction of control mechanisms, and inadequate engineering. All the failures can be avoided, and most occur in the rotor. Two-bladed horizontal configurations permit use of a through-center section while requiring teetering to reduce stresses; three-bladed designs offer higher output for the same diameter and less of a stress moment on the tower and yaw components. Hydraulic components have caused trouble, which could be eliminated with redundancy. The torsional vibrations to which a Darrieus wind turbine is subject in every revolution can be ameliorated with three blades and eradicated with four. The Musgrove wind turbine requires thin blades to maintain a high aspect ratio, but simultaneously introduces buckling stresses. Blade materials used or proposed are carbon steel, GFRP, wood, stainless steel, CFRP, aluminum, titanium, and prestressed concrete.

Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpoint

NASA Astrophysics Data System (ADS)

Karabulut, Sedat; Namli, Hilmi; Leszczynski, Jerzy

2013-08-01

Molecular structures of stable tautomers of dimedone [5,5-dimethyl-cyclohexane-1,3-dione ( 1) and 3-hydroxy-5,5-dimethylcyclohex-2-enone ( 2)] were optimized and vibrational frequencies were calculated in five different organic solvents (dimethylsulfoxide, methanol, acetonitrile, dichloromethane and chloroform). Geometry optimizations and harmonic vibrational frequency calculations were performed at DFT 6-31+G(d,p), DFT 6-311++G(2d,2p), MP2 6-311++G (2d,2p) and MP2 aug-cc-pVDZ levels for both stable forms of dimedone. Experimental FT-IR spectra of dimedone have also been recorded in the same solvents. A new approach was developed in order to determine tautomers' ratio using both experimental and theoretical data in Lambert-Beer equation. Obtained results were compared with experimental results published in literature. It has been concluded that while DFT 6-31+G(d,p) method provides accurate enol ratio in DMSO, MeOH, and DCM, in order to obtain accurate results for the other solvents the MP2 aug-cc-pVDZ level calculations should be used for CH3CN and CHCl3 solutions.

A role for acoustic distortion in novel rapid frequency modulation behaviour in free-flying male mosquitoes.

PubMed

Simões, Patrício M V; Ingham, Robert A; Gibson, Gabriella; Russell, Ian J

2016-07-01

We describe a new stereotypical acoustic behaviour by male mosquitoes in response to the fundamental frequency of female flight tones during mating sequences. This male-specific free-flight behaviour consists of phonotactic flight beginning with a steep increase in wing-beat frequency (WBF) followed by rapid frequency modulation (RFM) of WBF in the lead up to copula formation. Male RFM behaviour involves remarkably fast changes in WBF and can be elicited without acoustic feedback or physical presence of the female. RFM features are highly consistent, even in response to artificial tones that do not carry the multi-harmonic components of natural female flight tones. Comparison between audiograms of the robust RFM behaviour and the electrical responses of the auditory Johnston's organ (JO) reveals that the male JO is tuned not to the female WBF per se but, remarkably, to the difference between the male and female WBFs. This difference is generated in the JO responses as a result of intermodulation distortion products (DPs) caused by non-linear interaction between male-female flight tones in the vibrations of the antenna. We propose that male mosquitoes rely on their own flight tones in making use of DPs to acoustically detect, locate and orientate towards flying females. We argue that the previously documented flight-tone harmonic convergence of flying male and female mosquitoes could be a consequence of WBF adjustments so that DPs generated through flight-tone interaction fall within the optimal frequency ranges for JO detection. © 2016. Published by The Company of Biologists Ltd.

The harmonic force field of benzene. A local density functional study

NASA Astrophysics Data System (ADS)

Bérces, Attila; Ziegler, Tom

1993-03-01

The harmonic force field of benzene has been calculated by a method based on local density functional theory (LDF). The calculations were carried out employing a triple zeta basis set with triple polarization on hydrogen and double polarization on carbon. The LDF force field was compared to the empirical field due to Ozkabak, Goodman, and Thakur [A. G. Ozkabak, L. Goodman, and S. N. Thakur, J. Phys. Chem. 95, 9044 (1991)], which has served as a benchmark for theoretical calculations as well as the theoretical field based on scaled Hartree-Fock ab initio calculation due to Pulay, Fogarasi, and Boggs [P. Pulay, G. Fogarasi, and J. E. Boggs, J. Chem. Phys. 74, 3999 (1981)]. The calculated LDF force field is in excellent qualitative and very good quantitative agreement with the theoretical field proposed by Pulay, Fogarasi, and Boggs as well as the empirical field due to Ozkabak, Goodman, and Thakur. The LDF field is closest to the values of Pulay and co-workers in those cases where the force constants due to Pulay, Fogarasi, and Boggs and to Ozkabak, Goodman, and Thakur differ in sign or magnitude. The accuracy of the LDF force field was investigated by evaluating a number of eigenvalue and eigenfunction dependent quantities from the the LDF force constants. The quantities under investigation include vibrational frequencies of seven isotopomers, isotopic shifts, as well as absorption intensities. The calculations were performed at both theoretical optimized and approximate equilibrium reference geometries. The predicted frequencies are usually within 1%-2% compared to the empirical harmonic frequencies. The least accurate frequency deviates by 5% from the experimental value. The average deviations from the empirical harmonic frequencies of C6H6 and C6D6 are 16.7 cm-1 (1.5%) and 15.2 cm-1 (1.7%), respectively, not including CH stretching frequencies, in the case where a theoretical reference geometry was used. The accuracy of the out-of-plane force field is especially remarkable; the average deviations for the C6H6 and C6D6 frequencies, based on the LDF force field, are 9.4 cm-1 (1.2%) and 7.3 cm-1 (1.2%), respectively. The absorption intensities were not predicted as accurately as it was expected based on the size of the basis set applied. An analysis is provided to ensure that the force constants are not significantly affected by numerical errors due to the numerical integration scheme employed.

Improved Continuous-Time Higher Harmonic Control Using Hinfinity Methods

NASA Astrophysics Data System (ADS)

Fan, Frank H.

The helicopter is a versatile aircraft that can take-off and land vertically, hover efficiently, and maneuver in confined space. This versatility is enabled by the main rotor, which also causes undesired harmonic vibration during operation. This unwanted vibration has a negative impact on the practicality of the helicopter and also increases its operational cost. Passive control techniques have been applied to helicopter vibration suppression, but these methods are generally heavy and are not robust to changes in operating conditions. Feedback control offers the advantages of robustness and potentially higher performance over passive control techniques, and amongst the various feedback schemes, Shaw's higher harmonic control algorithm has been shown to be an effective method for attenuating harmonic disturbance in helicopters. In this thesis, the higher harmonic disturbance algorithm is further developed to achieve improved performance. One goal in this thesis is to determine the importance of periodicity in the helicopter rotor dynamics for control synthesis. Based on the analysis of wind tunnel data and simulation results, we conclude the helicopter rotor can be modeled reasonably well as linear and time-invariant for control design purposes. Modeling the helicopter rotor as linear time-invariant allows us to apply linear control theory concepts to the higher harmonic control problem. Another goal in this thesis is to find the limits of performance in harmonic disturbance rejection. To achieve this goal, we first define the metrics to measure the performance of the controller in terms of response speed and robustness to changes in the plant dynamics. The performance metrics are incorporated into an Hinfinity control problem. For a given plant, the resulting Hinfinity controller achieves the maximum performance, thus allowing us to identify the performance limitation in harmonic disturbance rejection. However, the Hinfinity controllers are of high order, and may have unstable poles, leading us to develop a design method to generate stable, fixed-order, and high performance controllers. Both the Hinfinity and the fixed-order controllers are designed for constant flight conditions. A gain-scheduled control law is used to reduce the vibration throughout the flight envelope. The gain-scheduling is accomplished by blending the outputs from fixed-order controllers designed for different flight conditions. The structure of the fixed-order controller allows the usage of a previously developed anti-windup scheme, and the blending function results in a bumpless full flight envelope control law. (Copies available exclusively from MIT Libraries, libraries.mit.edu/docs - docs mit.edu)

Lock-in in forced vibration of a circular cylinder

NASA Astrophysics Data System (ADS)

Kumar, Samvit; Navrose, Mittal, Sanjay

2016-11-01

The phenomenon of lock-in/synchronization in uniform flow past an oscillating cylinder is investigated via a stabilized finite element method at Re = 100. Computations are carried out for various amplitudes and frequencies of cylinder oscillation to accurately obtain the boundary of the lock-in regime. Results from earlier studies show a significant scatter in the lock-in boundary. The scatter might be an outcome of the difference in data collection or the use of a different criterion for identifying lock-in. A new criterion for lock-in is proposed, wherein the following two conditions are to be satisfied. (i) The most dominant frequency in the power spectrum of lift coefficient matches the frequency of cylinder oscillation (fy) and (ii) other peaks in the power spectrum, if any, are present only at super-harmonics of fy. Utilizing this criterion, three flow regimes are identified on the frequency-amplitude plane: lock-in, transition, and no lock-in. The behaviour of the wake is also investigated by examining the power spectra of the velocity traces at various locations downstream of the cylinder. Wake-lock-in is observed during lock-in. A wake-transition regime is identified wherein the near wake, up to a certain streamwise location, is in a lock-in state while the downstream region is in a desynchronized state. For a fixed fy, the location beyond which the wake is desynchronized moves downstream as the amplitude of oscillation is increased. The proposed criterion for lock-in addresses the wide scatter in the boundary of the lock-in regime among earlier studies. Energy transfer from the fluid to the structure, per cycle of cylinder oscillation, is computed from the data for forced vibration. The data is utilized to generate iso-energy transfer contours in the frequency-amplitude plane. The free vibration response with zero structural damping is found to be in very good agreement with the contour corresponding to zero energy transfer.

Underwater noise of small personal watercraft (jet skis).

PubMed

Erbe, Christine

2013-04-01

Personal watercraft (water scooters, jet skis) were recorded under water in Bramble Bay, Queensland, Australia. Underwater noise emissions consisted of broadband energy between 100 Hz and 10 kHz due to the vibrating bubble cloud generated by the jet stream, overlain with frequency-modulated tonals corresponding to impeller blade rates and harmonics. Broadband monopole source levels were 149, 137, and 122 dB re 1 μPa @ 1 m (5th, 50th, and 95th percentiles). Even though these are lower than those of small propeller-driven boats, it is not necessarily the broadband source level that correlates with the bioacoustic impact on marine fauna.

Rhythmic artifact of physiotherapy in intensive care unit EEG recordings.

PubMed

Young, Bryan; Raihan, Syed; Ladak, H; Kelly, Martin

2007-06-01

Intensive care unit EEG recordings are often contaminated by artifacts that are unseen elsewhere and are usually not documented. One is the rhythmic artifact of physiotherapy (RAP), which can follow the frequency of chest percussion or vibration with either fundamental or harmonic sinusoidal wave forms, affecting single or multiple channels. The occipital electrodes are the most commonly affected, but others can be involved separately or in combination. RAP can easily be mistaken for cerebrally originating rhythms, including seizures. RAP is most easily detected by examining the ECG channel, which usually captures the artifact, but video EEG provides another means, at least for chest percussion.

Mapping quadrupole collectivity in the Cd isotopes: The breakdown of harmonic vibrational motion

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Green, K. L.; Bangay, J.; Varela, A. Diaz; Sumithrarachchi, C. S.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D. S.; Bianco, L.; Colosimo, S.; Cross, D. S.; Demand, G. A.; Finlay, P.; Garnsworthy, A. B.; Grinyer, G. F.; Hackman, G.; Kulp, W. D.; Leach, K. G.; Morton, A. C.; Orce, J. N.; Pearson, C. J.; Phillips, A. A.; Schumaker, M. A.; Svensson, C. E.; Triambak, S.; Wong, J.; Wood, J. L.; Yates, S. W.

2011-10-01

The stable Cd isotopes have long been used as paradigms for spherical vibrational motion. Extensive investigations with in-beam γ spectroscopy have resulted in very-well-established level schemes, including many lifetimes or lifetime limits. A programme has been initiated to complement these studies with very-high-statistics β decay using the 8π spectrometer at the TRIUMF radioactive beam facility. The decays of 112In and 112Ag have been studied with an emphasis on the observation of, or the placement of stringent limits on, low-energy branches between potential multi-phonon levels. A lack of suitable 0+ or 2+ three-phonon candidates has been revealed. Further, the sum of the B(E2) strength from spin 0+ and 2+ states up to 3 MeV in excitation energy to the assigned two-phonon levels falls far short of the harmonic-vibrational expectations. This lack of strength points to the failing of collective models based on vibrational phonon structures.

A simple nonlinear element model

NASA Astrophysics Data System (ADS)

Mikhailov, S. G.; Rudenko, O. V.

2017-05-01

We study experimentally the behavior of a nonlinear element, a light plate pressed to the opening in the cavity of an acoustic resonator. Measurements of field oscillations inside and outside the cavity have shown that for large amplitudes, they become essentially anharmonic. The time dependences of displacement of the plate with increasing amplitude of the exciting voltage demonstrates a gradual change in the shape of vibrations from harmonic to half-period oscillation. A constant component appears in the cavity: rarefaction or outflow of the medium through the orifice. We construct a theory for nonlinear oscillations of a plate taking into account its different elastic reactions to compression and rarefaction with allowance for monopole radiation by the small-wave-size plate or radiation of a plane wave by the plate. We calculate the amplitudes of the harmonics and solve the problem of low-frequency stationary noise acting on the plate. We obtain expressions for the correlation function and mean power at the output given a normal random process at the input.

Analysis of stationary displacement patterns in rotating machinery subject to local harmonic excitation

NASA Astrophysics Data System (ADS)

Österlind, Tomas; Kari, Leif; Nicolescu, Cornel Mihai

2017-02-01

Rotor vibration and stationary displacement patterns observed in rotating machineries subject to local harmonic excitation are analysed for improved understanding and dynamic characterization. The analysis stresses the importance of coordinate transformation between rotating and stationary frame of reference for accurate results and estimation of dynamic properties. A generic method which can be used for various rotor applications such as machine tool spindle and turbo machinery vibration is presented. The phenomenon shares similarities with stationary waves in rotating disks though focuses on vibration in shafts. The paper further proposes a graphical tool, the displacement map, which can be used for selection of stable rotational speed for rotating machinery. The results are validated through simulation of dynamic response of a milling cutter, which is a typical example of a variable speed rotor operating under different load conditions.

Experimental study on nonlinear vibrating of aluminum foam using electronic speckle pattern interferometry

NASA Astrophysics Data System (ADS)

Yang, Fujun; Ma, Yinhang; Tao, Nan; He, Xiaoyuan

2017-06-01

Due to its multi properties, including excellent stiffness-to-weight and strength-to-weight ratios, closed-cell aluminum and its alloy foams become candidate materials for use in many high-technology industries, such as the automotive and aerospace industries. For the efficient use of closed-cell foams in structural applications, it is necessary and important to detailly understand their mechanical characteristics. In this paper, the nonlinear vibration responses of the cantilever beams of closed-cell aluminum foams were investigated by use of electronic speckle pattern interferometry (ESPI). The nonlinear resonant mode shapes of testing specimens under harmonic excitation were measured. It is first time to obtain from the experimental results that there exist super-harmonic responses when the cantilever beams of closed-cell aluminum foam were forced to vibrate, which was caused by its specific cellular structures.

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

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Dissipative vibrational model for chiral recognition in olfaction

NASA Astrophysics Data System (ADS)

Tirandaz, Arash; Taher Ghahramani, Farhad; Shafiee, Afshin

2015-09-01

We examine the olfactory discrimination of left- and right-handed enantiomers of chiral odorants based on the odorant-mediated electron transport from a donor to an acceptor of the olfactory receptors embodied in a biological environment. The chiral odorant is effectively described by an asymmetric double-well potential whose minima are associated to the left- and right-handed enantiomers. The introduced asymmetry is considered an overall measure of chiral interactions. The biological environment is conveniently modeled as a bath of harmonic oscillators. The resulting spin-boson model is adapted by a polaron transformation to derive the corresponding Born-Markov master equation with which we obtain the elastic and inelastic electron tunneling rates. We show that the inelastic tunneling through left- and right-handed enantiomers occurs with different rates. The discrimination mechanism depends on the ratio of tunneling frequency to localization frequency.

Numerical investigations on axial and radial blade rubs in turbo-machinery

NASA Astrophysics Data System (ADS)

Abdelrhman, Ahmed M.; Tang, Eric Sang Sung; Salman Leong, M.; Al-Qrimli, Haidar F.; Rajamohan, G.

2017-07-01

In the recent years, the clearance between the rotor blades and stator/casing had been getting smaller and smaller prior improving the aerodynamic efficiency of the turbomachines as demand in the engineering field. Due to the clearance reduction between the blade tip and the rotor casing and between rotor blades and stator blades, axial and radial blade rubbing could be occurred, especially at high speed resulting into complex nonlinear vibrations. The primary aim of this study is to address the blade axial rubbing phenomenon using numerical analysis of rotor system. A comparison between rubbing caused impacts of axial and radial blade rubbing and rubbing forces are also aims of this study. Tow rotor models (rotor-stator and rotor casing models) has been designed and sketched using SOILDSWORKS software. ANSYS software has been used for the simulation and the numerical analysis. The rubbing conditions were simulated at speed range of 1000rpm, 1500rpm and 2000rpm. Analysis results for axial blade rubbing showed the appearance of blade passing frequency and its multiple frequencies (lx, 2x 3x etc.) and these frequencies will more excited with increasing the rotational speed. Also, it has been observed that when the rotating speed increased, the rubbing force and the harmonics frequencies in x, y and z-direction become higher and severe. The comparison study showed that axial blade rub is more dangerous and would generate a higher vibration impacts and higher blade rubbing force than radial blade rub.

High-frequency harmonic imaging of the eye.

PubMed

Silverman, Ronald H; Coleman, D Jackson; Ketterling, Jeffrey A; Lizzi, Frederic L

2005-01-01

PURPOSE: Harmonic imaging has become a well-established technique for ultrasonic imaging at fundamental frequencies of 10 MHz or less. Ophthalmology has benefited from the use of fundamentals of 20 MHz to 50 MHz. Our aim was to explore the ability to generate harmonics for this frequency range, and to generate harmonic images of the eye. METHODS: The presence of harmonics was determined in both water and bovine vitreous propagation media by pulse/echo and hydrophone at a series of increasing excitation pulse intensities and frequencies. Hydrophone measurements were made at the focal point and in the near- and far-fields of 20 MHz and 40 MHz transducers. Harmonic images of the anterior segment of the rabbit eye were obtained by a combination of analog filtering and digital post-processing. RESULTS: Harmonics were generated nearly identically in both water and vitreous. Hydrophone measurements showed the maximum second harmonic to be -5 dB relative to the 35 MHz fundamental at the focus, while in pulse/echo the maximum harmonic amplitude was -15dB relative to the fundamental. Harmonics were absent in the near-field, but present in the far-field. Harmonic images of the eye showed improved resolution. CONCLUSION: Harmonics can be readily generated at very high frequencies, and at power levels compliant with FDA guidelines for ophthalmology. This technique may yield further improvements to the already impressive resolutions obtainable in this frequency range. Improved imaging of the macular region, in particular, may provide significant improvements in diagnosis of retinal disease.

High-frequency harmonic imaging of the eye

NASA Astrophysics Data System (ADS)

Silverman, Ronald H.; Coleman, D. Jackson; Ketterling, Jeffrey A.; Lizzi, Frederic L.

2005-04-01

Purpose: Harmonic imaging has become a well-established technique for ultrasonic imaging at fundamental frequencies of 10 MHz or less. Ophthalmology has benefited from the use of fundamentals of 20 MHz to 50 MHz. Our aim was to explore the ability to generate harmonics for this frequency range, and to generate harmonic images of the eye. Methods: The presence of harmonics was determined in both water and bovine vitreous propagation media by pulse/echo and hydrophone at a series of increasing excitation pulse intensities and frequencies. Hydrophone measurements were made at the focal point and in the near- and far-fields of 20 MHz and 40 MHz transducers. Harmonic images of the anterior segment of the rabbit eye were obtained by a combination of analog filtering and digital post-processing. Results: Harmonics were generated nearly identically in both water and vitreous. Hydrophone measurements showed the maximum second harmonic to be -5 dB relative to the 35 MHz fundamental at the focus, while in pulse/echo the maximum harmonic amplitude was -15dB relative to the fundamental. Harmonics were absent in the near-field, but present in the far-field. Harmonic images of the eye showed improved resolution. Conclusion: Harmonics can be readily generated at very high frequencies, and at power levels compliant with FDA guidelines for ophthalmology. This technique may yield further improvements to the already impressive resolutions obtainable in this frequency range. Improved imaging of the macular region, in particular, may provide significant improvements in diagnosis of retinal disease.

A semi-analytical beam model for the vibration of railway tracks

NASA Astrophysics Data System (ADS)

Kostovasilis, D.; Thompson, D. J.; Hussein, M. F. M.

2017-04-01

The high frequency dynamic behaviour of railway tracks, in both vertical and lateral directions, strongly affects the generation of rolling noise as well as other phenomena such as rail corrugation. An improved semi-analytical model of a beam on an elastic foundation is introduced that accounts for the coupling of the vertical and lateral vibration. The model includes the effects of cross-section asymmetry, shear deformation, rotational inertia and restrained warping. Consideration is given to the fact that the loads at the rail head, as well as those exerted by the railpads at the rail foot, may not act through the centroid of the section. The response is evaluated for a harmonic load and the solution is obtained in the wavenumber domain. Results are presented as dispersion curves for free and supported rails and are validated with the aid of a Finite Element (FE) and a waveguide finite element (WFE) model. Closed form expressions are derived for the forced response, and validated against the WFE model. Track mobilities and decay rates are presented to assess the potential implications for rolling noise and the influence of the various sources of vertical-lateral coupling. Comparison is also made with measured data. Overall, the model presented performs very well, especially for the lateral vibration, although it does not contain the high frequency cross-section deformation modes. The most significant effects on the response are shown to be the inclusion of torsion and foundation eccentricity, which mainly affect the lateral response.

Nonlinear dynamics of planetary gears using analytical and finite element models

NASA Astrophysics Data System (ADS)

Ambarisha, Vijaya Kumar; Parker, Robert G.

2007-05-01

Vibration-induced gear noise and dynamic loads remain key concerns in many transmission applications that use planetary gears. Tooth separations at large vibrations introduce nonlinearity in geared systems. The present work examines the complex, nonlinear dynamic behavior of spur planetary gears using two models: (i) a lumped-parameter model, and (ii) a finite element model. The two-dimensional (2D) lumped-parameter model represents the gears as lumped inertias, the gear meshes as nonlinear springs with tooth contact loss and periodically varying stiffness due to changing tooth contact conditions, and the supports as linear springs. The 2D finite element model is developed from a unique finite element-contact analysis solver specialized for gear dynamics. Mesh stiffness variation excitation, corner contact, and gear tooth contact loss are all intrinsically considered in the finite element analysis. The dynamics of planetary gears show a rich spectrum of nonlinear phenomena. Nonlinear jumps, chaotic motions, and period-doubling bifurcations occur when the mesh frequency or any of its higher harmonics are near a natural frequency of the system. Responses from the dynamic analysis using analytical and finite element models are successfully compared qualitatively and quantitatively. These comparisons validate the effectiveness of the lumped-parameter model to simulate the dynamics of planetary gears. Mesh phasing rules to suppress rotational and translational vibrations in planetary gears are valid even when nonlinearity from tooth contact loss occurs. These mesh phasing rules, however, are not valid in the chaotic and period-doubling regions.

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

NASA Astrophysics Data System (ADS)

Meng, Qingping; Wu, Lijun; Welch, David O.; Zhu, Yimei

2015-06-01

We studied the lattice vibrations of two interpenetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. As the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of the FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a nonzero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a "devil's staircase" behavior at a finite temperature.

Effect of Context on the Contribution of Individual Harmonics to Residue Pitch.

PubMed

Gockel, Hedwig E; Alsindi, Sami; Hardy, Charles; Carlyon, Robert P

2017-12-01

There is evidence that the contribution of a given harmonic in a complex tone to residue pitch is influenced by the accuracy with which the frequency of that harmonic is encoded. The present study investigated whether listeners adjust the weights assigned to individual harmonics based on acquired knowledge of the reliability of the frequency estimates of those harmonics. In a two-interval forced-choice task, seven listeners indicated which of two 12-harmonic complex tones had the higher overall pitch. In context trials (60 % of all trials), the fundamental frequency (F0) was 200 Hz in one interval and 200 + ΔF0 Hz in the other. In different (blocked) conditions, either the 3rd or the 4th harmonic (plus the 7th, 9th, and 12th harmonics), were replaced by narrowband noises that were identical in the two intervals. Feedback was provided. In randomly interspersed test trials (40 % of all trials), the fundamental frequency was 200 + ΔF0/2 Hz in both intervals; in the second interval, either the third or the fourth harmonic was shifted slightly up or down in frequency with equal probability. There were no narrowband noises. Feedback was not provided. The results showed that substitution of a harmonic by noise in context trials reduced the contribution of that harmonic to pitch judgements in the test trials by a small but significant amount. This is consistent with the notion that listeners give smaller weight to a harmonic or frequency region when they have learned that this frequency region does not provide reliable information for a given task.

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

NASA Astrophysics Data System (ADS)

Schmitz, Matthias; Tavan, Paul

2004-12-01

Hybrid molecular dynamics (MD) simulations, which combine density functional theory (DFT) descriptions of a molecule with a molecular mechanics (MM) modeling of its solvent environment, have opened the way towards accurate computations of solvation effects in the vibrational spectra of molecules. Recently, Wheeler et al. [ChemPhysChem 4, 382 (2002)] have suggested to compute these spectra from DFT/MM-MD trajectories by diagonalizing the covariance matrix of atomic fluctuations. This so-called principal mode analysis (PMA) allegedly can replace the well-established approaches, which are based on Fourier transform methods or on conventional normal mode analyses. By scrutinizing and revising the PMA approach we identify five conditions, which must be guaranteed if PMA is supposed to render exact vibrational frequencies. Besides specific choices of (a) coordinates and (b) coordinate systems, these conditions cover (c) a harmonic intramolecular potential, (d) a complete thermal equilibrium within the molecule, and (e) a molecular Hamiltonian independent of time. However, the PMA conditions [(c)-(d)] and [(c)-(e)] are generally violated in gas phase DFT-MD and liquid phase DFT/MM-MD trajectories, respectively. Based on a series of simple analytical model calculations and on the analysis of MD trajectories calculated for the formaldehyde molecule in the gas phase (DFT) and in liquid water (DFT/MM) we show that in both phases the violation of condition (d) can cause huge errors in PMA frequency computations, whereas the inevitable violations of conditions (c) and (e), the latter being generic to the liquid phase, imply systematic and sizable underestimates of the vibrational frequencies by PMA. We demonstrate that the huge errors, which are caused by an incomplete thermal equilibrium violating (d), can be avoided if one introduces mode-specific temperatures Tj and calculates the frequencies from a "generalized virial" (GV) expression instead from PMA. Concerning ways to additionally remove the remaining errors, which GV still shares with PMA, we refer to Paper II of this work [M. Schmitz and P. Tavan, J. Chem. Phys. 121, 12247 (2004)].

Trajectory study of supercollision relaxation in highly vibrationally excited pyrazine and CO2.

PubMed

Li, Ziman; Sansom, Rebecca; Bonella, Sara; Coker, David F; Mullin, Amy S

2005-09-01

Classical trajectory calculations were performed to simulate state-resolved energy transfer experiments of highly vibrationally excited pyrazine (E(vib) = 37,900 cm(-1)) and CO(2), which were conducted using a high-resolution transient infrared absorption spectrometer. The goal here is to use classical trajectories to simulate the supercollision energy transfer pathway wherein large amounts of energy are transferred in single collisions in order to compare with experimental results. In the trajectory calculations, Newton's laws of motion are used for the molecular motion, isolated molecules are treated as collections of harmonic oscillators, and intermolecular potentials are formed by pairwise Lennard-Jones potentials. The calculations qualitatively reproduce the observed energy partitioning in the scattered CO(2) molecules and show that the relative partitioning between bath rotation and translation is dependent on the moment of inertia of the bath molecule. The simulations show that the low-frequency modes of the vibrationally excited pyrazine contribute most to the strong collisions. The majority of collisions lead to small DeltaE values and primarily involve single encounters between the energy donor and acceptor. The large DeltaE exchanges result from both single impulsive encounters and chattering collisions that involve multiple encounters.

Spectroscopic studies and quantum chemical investigations of (3,4-dimethoxybenzylidene) propanedinitrile.

PubMed

Gupta, Ujval; Kumar, Vinay; Singh, Vivek K; Kant, Rajni; Khajuria, Yugal

2015-04-05

The Fourier Transform Infrared (FTIR), Ultra-Violet Visible (UV-Vis) spectroscopy and Thermogravimetric (TG) analysis of (3,4-dimethoxybenzylidene) propanedinitrile have been carried out and investigated using quantum chemical calculations. The molecular geometry, harmonic vibrational frequencies, Mulliken charges, natural atomic charges and thermodynamic properties in the ground state have been investigated by using Hartree Fock Theory (HF) and Density Functional Theory (DFT) using B3LYP functional with 6-311G(d,p) basis set. Both HF and DFT methods yield good agreement with the experimental data. Vibrational modes are assigned with the help of Vibrational Energy Distribution Analysis (VEDA) program. UV-Visible spectrum was recorded in the spectral range of 190-800nm and the results are compared with the calculated values using TD-DFT approach. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The results obtained from the studies of Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) are used to calculate molecular parameters like ionization potential, electron affinity, global hardness, electron chemical potential and global electrophilicity. Copyright © 2014 Elsevier B.V. All rights reserved.

A theoretical study of F0-F1 interaction with application to resonant speaking and singing voice.

PubMed

Titze, Ingo R

2004-09-01

An interactive source-filter system, consisting of a three-mass body-cover model of the vocal folds and a wave reflection model of the vocal tract, was used to test the dependence of vocal fold vibration on the vocal tract. The degree of interaction is governed by the epilarynx tube, which raises the vocal tract impedance to match the impedance of the glottis. The key component of the impedance is inertive reactance. Whenever there is inertive reactance, the vocal tract assists the vocal folds in vibration. The amplitude of vibration and the glottal flow can more than double, and the oral radiated power can increase up to 10 dB. As F0 approaches F1, the first formant frequency, the interactive source-filter system loses its advantage (because inertive reactance changes to compliant reactance) and the noninteractive system produces greater vocal output. Thus, from a voice training and control standpoint, there may be reasons to operate the system in either interactive and noninteractive modes. The harmonics 2F0 and 3F0 can also benefit from being positioned slightly below F1.

Ab initio study for the IR spectroscopy of PbTiO3 and PbZrO3, primary blocks of PbZr1‑x Ti x O3

NASA Astrophysics Data System (ADS)

Peperstraete, Yoann; Amzallag, Emilie; Tétot, Robert; Roy, Pascale

2018-05-01

PbTiO3 (PT) and PbZrO3 (PZ) are the two primary blocks of the solid solution PbZr1‑x Ti x O3 (PZT). They can be modelled in different ways; but, in order to do comparable DFT calculations on PZT, with different values of x, one must find a unique method that can be used for both PT and PZ. In particular, we want to evaluate their vibrational properties to compare them with experimental data. Density functional theory (DFT) is used to perform structure geometry optimizations and electronic structure calculations, both on low- and high-temperature phase. Then, harmonic vibrational frequencies of their low-temperature phase are determined for transverse and longitudinal optical (TO & LO) phonons. Moreover, a detailed study of the eigenvectors shows that accurate calculations are necessary to correctly interpret and understand the IR spectra. In the end, the comparison of our theoretical results with previous experimental and theoretical data confirm the strong potential of the SOGGA (second-order generalized gradient approximation) functional to correctly describe PT, PZ and, hopefully, PZT; especially their structural and vibrational properties.

Predicting absorption and dispersion in acoustics by direct simulation Monte Carlo: Quantum and classical models for molecular relaxation.

PubMed

Hanford, Amanda D; O'Connor, Patrick D; Anderson, James B; Long, Lyle N

2008-06-01

In the current study, real gas effects in the propagation of sound waves are simulated using the direct simulation Monte Carlo method for a wide range of frequencies. This particle method allows for treatment of acoustic phenomena at high Knudsen numbers, corresponding to low densities and a high ratio of the molecular mean free path to wavelength. Different methods to model the internal degrees of freedom of diatomic molecules and the exchange of translational, rotational and vibrational energies in collisions are employed in the current simulations of a diatomic gas. One of these methods is the fully classical rigid-rotor/harmonic-oscillator model for rotation and vibration. A second method takes into account the discrete quantum energy levels for vibration with the closely spaced rotational levels classically treated. This method gives a more realistic representation of the internal structure of diatomic and polyatomic molecules. Applications of these methods are investigated in diatomic nitrogen gas in order to study the propagation of sound and its attenuation and dispersion along with their dependence on temperature. With the direct simulation method, significant deviations from continuum predictions are also observed for high Knudsen number flows.

Active twist control methodology for vibration reduction of a helicopter with dissimilar rotor system

NASA Astrophysics Data System (ADS)

Pawar, Prashant M.; Jung, Sung Nam

2009-03-01

In this work, an active vibration reduction of hingeless composite rotor blades with dissimilarity is investigated using the active twist concept and the optimal control theory. The induced shear strain on the actuation mechanism by the piezoelectric constant d15 from the PZN-8% PT-based single-crystal material is used to achieve more active twisting to suppress the extra vibrations. The optimal control algorithm is based on the minimization of an objective function comprised of quadratic functions of vibratory hub loads and voltage control harmonics. The blade-to-blade dissimilarity is modeled using the stiffness degradation of composite blades. The optimal controller is applied to various possible dissimilarities arising from different damage patterns of composite blades. The governing equations of motion are derived using Hamilton's principle. The effects of composite materials and smart actuators are incorporated into the comprehensive aeroelastic analysis system. Numerical results showing the impact of addressing the blade dissimilarities on hub vibrations and voltage inputs required to suppress the vibrations are demonstrated. It is observed that all vibratory shear forces are reduced considerably and the major harmonics of moments are reduced significantly. However, the controller needs further improvement to suppress 1/rev moment loads. A mechanism to achieve vibration reduction for the dissimilar rotor system has also been identified.

Contribution of low-frequency harmonics to Mandarin Chinese tone identification in quiet and six-talker babble background.

PubMed

Liu, Chang; Azimi, Behnam; Bhandary, Moulesh; Hu, Yi

2014-01-01

The goal of this study was to investigate Mandarin Chinese tone identification in quiet and multi-talker babble conditions for normal-hearing listeners. Tone identification was measured with speech stimuli and stimuli with low and/or high harmonics that were embedded in three Mandarin vowels with two fundamental frequencies. There were six types of stimuli: all harmonics (All), low harmonics (Low), high harmonics (High), and the first (H1), second (H2), and third (H3) harmonic. Results showed that, for quiet conditions, individual harmonics carried frequency contour information well enough for tone identification with high accuracy; however, in noisy conditions, tone identification with individual low harmonics (e.g., H1, H2, and H3) was significantly lower than that with the Low, High, and All harmonics. Moreover, tone identification with individual harmonics in noise was lower for a low F0 than for a high F0, and was also dependent on vowel category. Tone identification with individual low-frequency harmonics was accounted for by local signal-to-noise ratios, indicating that audibility of harmonics in noise may play a primary role in tone identification.

Remote tire pressure sensing technique

NASA Technical Reports Server (NTRS)

Robinson, Howard H. (Inventor); Mcginnis, Timothy A. (Inventor); Daugherty, Robert H. (Inventor)

1993-01-01

A remote tire pressure sensing technique is provided which uses vibration frequency to determine tire pressure. A vibration frequency measuring device is attached to the external surface of a tire which is then struck with an object, causing the tire to vibrate. The frequency measuring device measures the vibrations and converts the vibrations into corresponding electrical impulses. The electrical impulses are then fed into the frequency analyzing system which uses the electrical impulses to determine the relative peaks of the vibration frequencies as detected by the frequency measuring device. The measured vibration frequency peaks are then compared to predetermined data describing the location of vibration frequency peaks for a given pressure, thereby determining the air pressure of the tire.

The Study of Damped Harmonic Oscillations Using an Electronic Counter

ERIC Educational Resources Information Center

Wadhwa, Ajay

2009-01-01

We study damped harmonic oscillations in mechanical systems like the loaded spring and simple pendulum with the help of an oscillation measuring electronic counter. The experimental data are used in a software program that solves the differential equation for damped vibrations of any system and determines its position, velocity and acceleration as…

Electrostatic waves in the warm magnetoplasma at the cyclotron harmonic frequencies

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

Gwal, A.K.; Misra, K.D.

1977-09-01

Mode conversion and collisionless absorption of electromagnetic wave at the cyclotron harmonic frequencies in an inhomogeneous non-Maxwellian magnetoplasma have been studied. Under suitable energy transfer condition the converted electrostatic wave (plasma wave) either grows or damps. The expressions for the growth/damping rates of this wave have been derived and studied at the cyclotron harmonic frequencies. The effect of the temperature anisotropy on the growth/damping rate of the electrostatic wave at the second cyclotron harmonic frequency has been shown. Growth of such electrostatic waves at ionospheric heights may explain the observed upper hybrid resonance (UHR) echoes and noise bands at themore » second cyclotron harmonic frequency.« less

Investigation of the piezoelectric thimble tactile device operating modes.

PubMed

Bansevicius, Ramutis; Dragasius, Egidijus; Grigas, Vytautas; Jurenas, Vytautas; Mazeika, Darius; Zvironas, Arunas

2014-01-01

A multifunctional device to transfer graphical or text information for blind or visually impaired is presented. The prototype using tactile perception has been designed where information displayed on the screen of electronic device (mobile phone, PC) is transferred by oscillating needle, touching the fingertip. Having the aim to define optimal parameters of the fingertip excitation by needle, the computational analysis of different excitation modes has been carried out. A 3D solid computational finite element model of the skin segment, comprising four main fingertip skin layers (stratum corneum, epidermis, dermis and hypodermis) was built by using ANSYS Workbench FEA software. Harmonic analysis of its stress-strain state under excitation with different frequency (up to 10000 Hz) and harmonic force (0.01 N), acting outer stratum corneum layer in normal direction at one, two or three points has been performed. The influence of the mode of dynamic loading of skin was evaluated (in terms of the tactile signal level) on the basis of the normal and shear elastic strain in dermis, where mechanoreceptors are placed. It is shown that the tactile perception of information, delivered by three vibrating pins, may be influenced by configuration of excitation points (their number and phase of loading) and the frequency of excitation.

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

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

1988-01-01

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

Aeroelastic Stability of Idling Wind Turbines

NASA Astrophysics Data System (ADS)

Wang, Kai; Riziotis, Vasilis A.; Voutsinas, Spyros G.

2016-09-01

Wind turbine rotors in idling operation mode can experience high angles of attack, within the post stall region that are capable of triggering stall-induced vibrations. In the present paper rotor stability in slow idling operation is assessed on the basis of non-linear time domain and linear eigenvalue analysis. Analysis is performed for a 10 MW conceptual wind turbine designed by DTU. First the flow conditions that are likely to favour stall induced instabilities are identified through non-linear time domain aeroelastic analysis. Next, for the above specified conditions, eigenvalue stability simulations are performed aiming at identifying the low damped modes of the turbine. Finally the results of the eigenvalue analysis are evaluated through computations of the work of the aerodynamic forces by imposing harmonic vibrations following the shape and frequency of the various modes. Eigenvalue analysis indicates that the asymmetric and symmetric out-of-plane modes have the lowest damping. The results of the eigenvalue analysis agree well with those of the time domain analysis.

Tripod self-assembled monolayer on Au(111) prepared by reaction of hydroxyl-terminated alkylthiols with SiCl4.

PubMed

Ichimura, Andrew S; Lew, Wanda; Allara, David L

2008-03-18

Infrared reflection spectroscopy (IRS), single wavelength ellipsometry, and density functional theory were used to elucidate the structure of a molecular tripod self-assembled monolayer (SAM) on polycrystalline gold{111} substrates. The tripod SAM was formed by the reaction of SiCl4 with a densely packed monolayer of 2-mercaptoethanol, 6-mercaptohexanol, and 16-mercaptohexadecanol under inert atmosphere. After reaction with SiCl4, IRS spectra show an intense absorption at approximately 1112 cm(-1) that is attributed to Si-O-C asymmetric stretching vibration of a molecular tripod structure. Harmonic vibrational frequencies computed at the B3LYP/6-311+g** level of theory for the mercaptoethanol tripod SAM closely match the experimental IRS spectra, giving further support for the tripod structure. When rinsed with methanol or water, the Si-Cl-terminated SAM becomes capped with Si-OMe or Si-OH. The silanol-terminated tripod SAM is expected to find use in the preparation of thin zeolite and silica films on gold substrates.

Method and apparatus for determining fluid mass flowrates

DOEpatents

Hamel, W.R.

1982-10-07

This invention relates to a new method and new apparatus for determining fluid mass flowrate and density. In one aspect of the invention, the fluid is passed through a straight cantilevered tube in which transient oscillation has been induced, thus generating Coriolis damping forces on the tube. The decay rate and frequency of the resulting damped oscillation are measured, and the fluid mass flowrate and density are determined therefrom. In another aspect of the invention, the fluid is passed through the cantilevered tube while an electrically powered device imparts steady-state harmonic excitation to the tube. This generates Coriolis tube-damping forces which are dependent on the mass flowrate of the fluid. Means are provided to respond to incipient flow-induced changes in the amplitude of vibration by changing the power input to the excitation device as required to sustain the original amplitude of vibration. The fluid mass flowrate and density are determined from the required bending of the fluid flow.

Third harmonic generation in air ambient and laser ablated carbon plasma

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

Singh, Ravi Pratap, E-mail: ravips@iitk.ac.in; Gupta, Shyam L.; Thareja, Raj K.

2015-12-15

We report the third harmonic generation of a nanosecond laser pulse (1.06 μm) in air ambient and in the presence of nanoparticles from laser ablated carbon plasma. Significant decrease in the threshold of third harmonic generation and multi-fold increment in the intensity of generated third harmonic is observed in presence of carbon plasma. The third harmonic in air is due to the quasi-resonant four photon process involving vibrationally excited states of molecular ion of nitrogen due to electron impact ionization and laser pulse. Following optical emission spectroscopic observations we conclude that the presence of C{sub 2} and CN in the ablatedmore » plume play a vital role in the observed third harmonic signals.« less

Realization of a new concept for visible frequency division: phase locking of harmonic and sum frequencies.

PubMed

Telle, H R; Meschede, D; Hänsch, T W

1990-05-15

We explore and demonstrate the feasibility of an optical-frequency-to-radio-frequency division method that is based on visible or near-infrared laser oscillators only. Comparing harmonic and sum frequencies, we generate the arithmetic average of two visible frequencies. Cascading n stages provides difference-frequency division by 2(n). For a demonstration we have phase locked the second harmonic and the sum frequency of two independent diode lasers.

2.32 THz quantum cascade laser frequency-locked to the harmonic of a microwave synthesizer source.

PubMed

Danylov, Andriy A; Light, Alexander R; Waldman, Jerry; Erickson, Neal R; Qian, Xifeng; Goodhue, William D

2012-12-03

Frequency stabilization of a THz quantum cascade laser (QCL) to the harmonic of a microwave source has been accomplished using a Schottky diode waveguide mixer designed for harmonic mixing. The 2.32 THz, 1.0 milliwatt CW QCL is coupled into the signal port of the mixer and a 110 GHz signal, derived from a harmonic of a microwave synthesizer, is coupled into the IF port. The difference frequency between the 21st harmonic of 110 GHz and the QCL is used in a discriminator to adjust the QCL bias current to stabilize the frequency. The short-term frequency jitter is reduced from 550 kHz to 4.5 kHz (FWHM) and the long-term frequency drift is eliminated. This performance is compared to that of several other THz QCL frequency stabilization techniques.

Masking of thresholds for the perception of fore-and-aft vibration of seat backrests.

PubMed

Morioka, Miyuki; Griffin, Michael J

2015-09-01

The detection of a vibration may be reduced by the presence of another vibration: a phenomenon known as 'masking'. This study investigated how the detection of one frequency of vibration is influenced by vibration at another frequency. With nine subjects, thresholds for detecting fore-and-aft backrest vibration were determined (for 4, 8, 16, and 31.5-Hz sinusoidal vibration) in the presence of a masker vibration (4-Hz random vibration, 1/3-octave bandwidth at six intensities). The masker vibration increased thresholds for perceiving vibration at each frequency by an amount that reduced with increasing difference between the frequency of the sinusoidal vibration and the frequency of the masker vibration. The 4-Hz random vibration almost completely masked 4-Hz sinusoidal vibration, partially masked 8- and 16-Hz vibration, and only slightly masked 31.5-Hz vibration. The findings might be explained by the involvement of different sensory systems and different body locations in the detection of different frequencies of vibration. Copyright © 2015 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Bernstein wave aided laser third harmonic generation in a plasma

NASA Astrophysics Data System (ADS)

Tyagi, Yachna; Tripathi, Deepak; Kumar, Ashok

2016-09-01

The process of Bernstein wave aided resonant third harmonic generation of laser in a magnetized plasma is investigated. The extra-ordinary mode (X-mode) laser of frequency ω 0 and wave number k → 0 , travelling across the magnetic field in a plasma, exerts a second harmonic ponderomotive force on the electrons imparting them an oscillatory velocity v → 2 ω0 , 2 k → 0 . This velocity beats with the density perturbation due to the Bernstein wave to produce a density perturbation at cyclotron frequency shifted second harmonic. The density perturbation couples with the oscillatory velocity v → ω0 , k → 0 of X-mode of the laser to produce the cyclotron frequency shifted third harmonic current density leading to harmonic radiation. The phase matching condition for the up shifted frequency is satisfied when the Bernstein wave is nearly counter-propagating to the laser. As the transverse wave number of the Bernstein wave is large, it is effective in the phase matched third harmonic generation, when the laser frequency is not too far from the upper hybrid frequency.

Vibrational excitation of hydrogen molecules by two-photon absorption and third-harmonic generation

NASA Astrophysics Data System (ADS)

Miyamoto, Yuki; Hara, Hideaki; Hiraki, Takahiro; Masuda, Takahiko; Sasao, Noboru; Uetake, Satoshi; Yoshimi, Akihiro; Yoshimura, Koji; Yoshimura, Motohiko

2018-01-01

We report the coherent excitation of the vibrational state of hydrogen molecules by two-photon absorption and the resultant third-harmonic generation (THG). Parahydrogen molecules cooled by liquid nitrogen are irradiated by mid-infrared nanosecond pulses at 4.8 μm with a nearly Fourier-transform-limited linewidth. The first excited vibrational state of parahydrogen is populated by two-photon absorption of the mid-infrared photons. Because of the narrow linewidth of the mid-infrared pulses, coherence between the ground and excited states is sufficient to induce higher-order processes. Near-infrared photons from the THG are observed at 1.6 μm. The dependence of the intensity of the near-infrared radiation on mid-infrared pulse energy, target pressure, and cell length is determined. We used a simple formula for THG with consideration of realistic experimental conditions to explain the observed results.

Humming in Tune: Sex and Species Recognition by Mosquitoes on the Wing

PubMed Central

Gibson, Gabriella; Warren, Ben

2010-01-01

Mosquitoes are more sensitive to sound than any other insect due to the remarkable properties of their antennae and Johnston’s organ at the base of each antenna. Male mosquitoes detect and locate female mosquitoes by hearing the female’s flight tone, but until recently we had no idea that females also respond to male flight tones. Our investigation of a novel mechanism of sex recognition in Toxorhynchites brevipalpis revealed that male and female mosquitoes actively respond to the flight tones of other flying mosquitoes by altering their own wing-beat frequencies. Male–female pairs converge on a shared harmonic of their respective fundamental flight tones, whereas same sex pairs diverge. Most frequency matching occurs at frequencies beyond the detection range of the Johnston’s organ but within the range of mechanical responsiveness of the antennae. We have shown that this is possible because the Johnston’s organ is tuned to, and able to detect difference tones in, the harmonics of antennal vibrations which are generated by the combined input of flight tones from both mosquitoes. Acoustic distortion in hearing organs exists usually as an interesting epiphenomenon. Mosquitoes, however, appear to use it as a sensory cue that enables male–female pairs to communicate through a signal that depends on auditory interactions between them. Frequency matching may also provide a means of species recognition. Morphologically identical but reproductively isolated molecular forms of Anopheles gambiae fly in the same mating swarms, but rarely hybridize. Extended frequency matching occurs almost exclusively between males and females of the same molecular form, suggesting that this behavior is associated with observed assortative mating. PMID:20976515

A double expansion method for the frequency response of finite-length beams with periodic parameters

NASA Astrophysics Data System (ADS)

Ying, Z. G.; Ni, Y. Q.

2017-03-01

A double expansion method for the frequency response of finite-length beams with periodic distribution parameters is proposed. The vibration response of the beam with spatial periodic parameters under harmonic excitations is studied. The frequency response of the periodic beam is the function of parametric period and then can be expressed by the series with the product of periodic and non-periodic functions. The procedure of the double expansion method includes the following two main steps: first, the frequency response function and periodic parameters are expanded by using identical periodic functions based on the extension of the Floquet-Bloch theorem, and the period-parametric differential equation for the frequency response is converted into a series of linear differential equations with constant coefficients; second, the solutions to the linear differential equations are expanded by using modal functions which satisfy the boundary conditions, and the linear differential equations are converted into algebraic equations according to the Galerkin method. The expansion coefficients are obtained by solving the algebraic equations and then the frequency response function is finally determined. The proposed double expansion method can uncouple the effects of the periodic expansion and modal expansion so that the expansion terms are determined respectively. The modal number considered in the second expansion can be reduced remarkably in comparison with the direct expansion method. The proposed double expansion method can be extended and applied to the other structures with periodic distribution parameters for dynamics analysis. Numerical results on the frequency response of the finite-length periodic beam with various parametric wave numbers and wave amplitude ratios are given to illustrate the effective application of the proposed method and the new frequency response characteristics, including the parameter-excited modal resonance, doubling-peak frequency response and remarkable reduction of the maximum frequency response for certain parametric wave number and wave amplitude. The results have the potential application to structural vibration control.

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

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

1989-01-01

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

Relaxor ferroelectricity, ferromagnetic and optical second harmonic properties in lanthanum lithium niobate (La0.05Li0.85NbO3) nanoparticles

NASA Astrophysics Data System (ADS)

Díaz-Moreno, Carlos A.; Ding, Yu; Li, Chunqiang; Portelles, Jorge; Heiras, J.; Hurtado-Macias, A.; Farias, J. R.; González-Hernández, J.; Yacamán, M. J.; López, Jorge

2017-07-01

Relaxor ferroelectricity, ferromagnetism and Second Harmonic Generation properties were founded and studied as a function of a reduction heat treatment at 650 °C in a Ar-5%H2 atmosphere in stoichiometric La0.05Li0.85NbO3 nanoparticles of 40 nm. A diffuse dielectric anomaly related with relaxor behavior from 25 °C to 800 °C in a frequency range from 100 Hz to 1 MHz was founded. It also shows ferromagnetic anhysterestic type and ferroelectric hysteresis loops at room temperature with a magnetic spin remnant of 2.5 × 10-3 emu/g and polarization saturation of 0.235 μC/cm2, remnant polarization of 0.141 μC/cm2, coercive field of 1.35 kV/cm, respectively. It shows very good second harmonic generation signal at 450 nm and 500 nm. High Resolution Transmission Electron Microscopy, X-ray Photoelectron Spectroscopy and Raman spectroscopy, indicate an ABO3 perovskite structure, new electronic binding energy structure for La (5s, 4d), Li (1s), Nb (4s, 3d, 4p) and oxygen (1s, 2s) and new vibrations modes on octahedron NbO6 related to multiferroic single phase nanoparticles, respectively.

Dual aperture dipole magnet with second harmonic component

DOEpatents

Praeg, Walter F.

1985-01-01

An improved dual aperture dipole electromagnet includes a second-harmonic frequency magnetic guide field winding which surrounds first harmonic frequency magnetic guide field windings associated with each aperture. The second harmonic winding and the first harmonic windings cooperate to produce resultant magnetic waveforms in the apertures which have extended acceleration and shortened reset portions of electromagnet operation.

Dual aperture dipole magnet with second harmonic component

DOEpatents

Praeg, W.F.

1983-08-31

An improved dual aperture dipole electromagnet includes a second-harmonic frequency magnetic guide field winding which surrounds first harmonic frequency magnetic guide field windings associated with each aperture. The second harmonic winding and the first harmonic windings cooperate to produce resultant magnetic waveforms in the apertures which have extended acceleration and shortened reset portions of electromagnet operation.

Harmonic generation by yeast cells in response to low-frequency electric fields

NASA Astrophysics Data System (ADS)

Nawarathna, D.; Claycomb, J. R.; Cardenas, G.; Gardner, J.; Warmflash, D.; Miller, J. H., Jr.; Widger, W. R.

2006-05-01

We report on harmonic generation by budding yeast cells (Saccharomyces cerevisiae, 108cells/ml ) in response to sinusoidal electric fields with amplitudes ranging from zero to 5V/cm in the frequency range 10-300Hz . The cell-generated harmonics are found to exhibit strong amplitude and frequency dependence. Sodium metavanadate, an inhibitor of the proton pump known as H+ -ATPase, and glucose, a substrate of H+ -ATPase, are found to increase harmonic production at low amplitudes while reducing it at large amplitudes. This P-type proton pump can be driven by an oscillatory transmembrane potential, and its nonlinear response is believed to be largely responsible for harmonic production at low frequencies in yeast cells. We find that the observed harmonics show dramatic changes with time and in their field and frequency dependence after perturbing the system by adding an inhibitor, substrate, or membrane depolarizer to the cell suspension.

Interfacial instabilities in vibrated fluids

NASA Astrophysics Data System (ADS)

Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

2016-07-01

Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced that leads to splitting (fluid separation). We investigate the interaction of these prominent interfacial instabilities in the absence of gravity, concentrating on harmonically vibrated rectangular containers of fluid. We compare vibroequilibria theory with direct numerical simulations and consider the effect of surfaces waves, which can excite sloshing motion of the vibroequilibria. We systematically investigate the saddle-node bifurcation experienced by a symmetric singly connected vibroequilibria solution, for sufficiently deep containers, as forcing is increased. Beyond this instability, the fluid rapidly separates into (at least) two distinct masses. Pronounced hysteresis is associated with this transition, even in the presence of gravity. The interaction of vibroequilibria and frozen waves is investigated in two-fluid systems. Preparations for a parabolic flight experiment on fluids vibrated at high frequencies are discussed.

Unraveling complex nonlinear elastic behaviors in rocks using dynamic acousto-elasticity

NASA Astrophysics Data System (ADS)

Riviere, J.; Guyer, R.; Renaud, G.; TenCate, J. A.; Johnson, P. A.

2012-12-01

In comparison with standard nonlinear ultrasonic methods like frequency mixing or resonance based measurements that allow one to extract average, bulk variations of modulus and attenuation versus strain level, dynamic acousto-elasticity (DAE) allows to obtain the elastic behavior over the entire dynamic cycle, detailing the full nonlinear behavior under tension and compression, including hysteresis and memory effects. This method consists of exciting a sample in Bulk-mode resonance at strains of 10-7 to 10-5 and simultaneously probing with a sequence of high frequency, low amplitude pulses. Time of flight and amplitudes of these pulses, respectively related to nonlinear elastic and dissipative parameters, can be plotted versus vibration strain level. Despite complex nonlinear signatures obtained for most rocks, it can be shown that for low strain amplitude (< 10-6), the nonlinear classical theory issued from a Taylor decomposition can explain the harmonic content. For higher strain, harmonic content becomes richer and the material exhibits more hysteretic behaviors, i.e. strain rate dependencies. Such observations have been made in the past (e.g., Pasqualini et al., JGR 2007), but not with the extreme detail of elasticity provided by DAE. Previous quasi-static measurements made in Berea sandstone (Claytor et al, GRL 2009), show that the hysteretic behavior disappears when the protocol is performed at a very low strain-rate (static limit). Therefore, future work will aim at linking quasi-static and dynamic observations, i.e. the frequency or strain-rate dependence, in order to understand underlying physical phenomena.

Measurement of optical-beat frequency in a photoconductive terahertz-wave generator using microwave higher harmonics.

PubMed

Murasawa, Kengo; Sato, Koki; Hidaka, Takehiko

2011-05-01

A new method for measuring optical-beat frequencies in the terahertz (THz) region using microwave higher harmonics is presented. A microwave signal was applied to the antenna gap of a photoconductive (PC) device emitting a continuous electromagnetic wave at about 1 THz by the photomixing technique. The microwave higher harmonics with THz frequencies are generated in the PC device owing to the nonlinearity of the biased photoconductance, which is briefly described in this article. Thirteen nearly periodic peaks in the photocurrent were observed when the microwave was swept from 16 to 20 GHz at a power of -48 dBm. The nearly periodic peaks are generated by the homodyne detection of the optical beat with the microwave higher harmonics when the frequency of the harmonics coincides with the optical-beat frequency. Each peak frequency and its peak width were determined by fitting a Gaussian function, and the order of microwave harmonics was determined using a coarse (i.e., lower resolution) measurement of the optical-beat frequency. By applying the Kalman algorithm to the peak frequencies of the higher harmonics and their standard deviations, the optical-beat frequency near 1 THz was estimated to be 1029.81 GHz with the standard deviation of 0.82 GHz. The proposed method is applicable to a conventional THz-wave generator with a photomixer.

The calculations of small molecular conformation energy differences by density functional method

NASA Astrophysics Data System (ADS)

Topol, I. A.; Burt, S. K.

1993-03-01

The differences in the conformational energies for the gauche (G) and trans(T) conformers of 1,2-difluoroethane and for myo-and scyllo-conformer of inositol have been calculated by local density functional method (LDF approximation) with geometry optimization using different sets of calculation parameters. It is shown that in the contrast to Hartree—Fock methods, density functional calculations reproduce the correct sign and value of the gauche effect for 1,2-difluoroethane and energy difference for both conformers of inositol. The results of normal vibrational analysis for1,2-difluoroethane showed that harmonic frequencies calculated in LDF approximation agree with experimental data with the accuracy typical for scaled large basis set Hartree—Fock calculations.

Parallel implementation of Hartree-Fock and density functional theory analytical second derivatives

NASA Astrophysics Data System (ADS)

Baker, Jon; Wolinski, Krzysztof; Malagoli, Massimo; Pulay, Peter

2004-01-01

We present an efficient, parallel implementation for the calculation of Hartree-Fock and density functional theory analytical Hessian (force constant, nuclear second derivative) matrices. These are important for the determination of harmonic vibrational frequencies, and to classify stationary points on potential energy surfaces. Our program is designed for modest parallelism (4-16 CPUs) as exemplified by our standard eight-processor QuantumCube™. We can routinely handle systems with up to 100+ atoms and 1000+ basis functions using under 0.5 GB of RAM memory per CPU. Timings are presented for several systems, ranging in size from aspirin (C9H8O4) to nickel octaethylporphyrin (C36H44N4Ni).

High resolution spectroscopy in the microwave and far infrared

NASA Technical Reports Server (NTRS)

Pickett, Herbert M.

1990-01-01

High resolution rotational spectroscopy has long been central to remote sensing techniques in atmospheric sciences and astronomy. As such, laboratory measurements must supply the required data to make direct interpretation of data for instruments which sense atmospheres using rotational spectra. Spectral measurements in the microwave and far infrared regions are also very powerful tools when combined with infrared measurements for characterizing the rotational structure of vibrational spectra. In the past decade new techniques were developed which have pushed high resolution spectroscopy into the wavelength region between 25 micrometers and 2 mm. Techniques to be described include: (1) harmonic generation of microwave sources, (2) infrared laser difference frequency generation, (3) laser sideband generation, and (4) ultrahigh resolution interferometers.

Dynamics Control Approaches to Improve Vibratory Environment of the Helicopter Aircrew

NASA Astrophysics Data System (ADS)

Wickramasinghe, Viresh Kanchana

Although helicopter has become a versatile mode of aerial transportation, high vibration levels leads to poor ride quality for its passengers and aircrew. Undesired vibration transmitted through the helicopter seats have been known to cause fatigue and discomfort to the aircrew in the short-term as well as neck strain and back pain injuries due to long-term exposure. This research study investigated the use of novel active as well as passive methodologies integrated in helicopter seats to mitigate the aircrew exposure to high vibration levels. Due to significantly less certification effort required to modify the helicopter seat structure, application of novel technologies to the seat is more practical compared to flight critical components such as the main rotor to reduce aircrew vibration. In particular, this research effort developed a novel adaptive seat mount approach based on active vibration control technology. This novel design that incorporated two stacked piezoelectric actuators as active struts increases the bending stiffness to avoid the low frequency resonance while generating forces to counteract higher harmonic vibration peaks. A real-time controller implemented using a feed-forward algorithm based on adaptive notches counteracted the forced vibration peaks while a robust feedback control algorithm suppressed the resonance modes. The effectiveness of the adaptive seat mount system was demonstrated through extensive closed-loop control tests on a full-scale helicopter seat using representative helicopter floor vibration profiles. Test results concluded that the proposed adaptive seat mount approach based on active control technology is a viable solution for the helicopter seat vibration control application. In addition, a unique flight test using a Bell-412 helicopter demonstrated that the aircrew is exposed to high levels of vibration during flight and that the whole body vibration spectrum varied substantially depending on operating conditions as well as the aircrew configurations. This investigation also demonstrated the suitability of integrating novel energy absorbing cushion materials to the seat as a low cost solution to improve aircrew vibration suppression. Therefore, it was recommended to pursue certification of novel seat cushion materials as a near-term solution to mitigate undesirable occupational health hazards in helicopter aircrew due to vibration exposure.

Tiltrotor Vibration Reduction Through Higher Harmonic Control

NASA Technical Reports Server (NTRS)

Nixon, Mark W.; Kvaternik, Raymond G.; Settle, T. Ben

1997-01-01

The results of a joint NASA/Army/Bell Helicopter Textron wind-tunnel test to assess the potential of higher harmonic control (HHC) for reducing vibrations in tiltrotor aircraft operating in the airplane mode of flight, and to evaluate the effectiveness of a Bell-developed HHC algorithm called MAVSS (Multipoint Adaptive Vibration Suppression System) are presented. The test was conducted in the Langley Transonic Dynamics Tunnel using an unpowered 1/5-scale semispan aeroelastic model of the V-22 which was modified to incorporate an HHC system employing both the rotor swashplate and the wing flaperon. The effectiveness of the swashplate and the flaperon acting either singly or in combination in reducing IP and 3P wing vibrations over a wide range of tunnel airspeeds and rotor rotational speeds was demonstrated. The MAVSS algorithm was found to be robust to variations in tunnel airspeed and rotor speed, requiring only occasional on-line recalculations of the system transfer matrix. HHC had only a small (usually beneficial) effect on blade loads but increased pitch link loads by 25%. No degradation in aeroelastic stability was noted for any of the conditions tested.

Frequency modulation of high-order harmonic generation in an orthogonally polarized two-color laser field.

PubMed

Li, Guicun; Zheng, Yinghui; Ge, Xiaochun; Zeng, Zhinan; Li, Ruxin

2016-08-08

We have experimentally investigated the frequency modulation of high-order harmonics in an orthogonally polarized two-color laser field consisting of a mid-infrared 1800nm fundamental pulse and its second harmonic pulse. It is demonstrated that the high harmonic spectra can be fine-tuned as we slightly change the relative delay of the two-color laser pulses. By analyzing the relative frequency shift of each harmonic at different two-color delays, the nonadiabatic spectral shift induced by the rapid variation of the intensity-dependent intrinsic dipole phase can be distinguished from the blueshift induced by the change of the refractive index during self-phase modulation (SPM). Our comprehensive analysis shows that the frequency modulation pattern is a reflection of the average emission time of high-order harmonic generation (HHG), thus offering a simple method to fine-tune the spectra of the harmonics on a sub-cycle time scale.

Smart helicopter rotor with active blade tips

NASA Astrophysics Data System (ADS)

Bernhard, Andreas Paul Friedrich

2000-10-01

The smart active blade tip (SABT) rotor is an on-blade rotor vibration reduction system, incorporating active blade tips that can be independently pitched with respect to the main blade. The active blade tip rotor development included an experimental test program culminating in a Mach scale hover test, and a parallel development of a coupled, elastic actuator and rotor blade analysis for preliminary design studies and hover performance prediction. The experimental testing focussed on a small scale rotor on a bearingless Bell-412 hub. The fabricated Mach-scale active-tip rotor has a diameter of 1.524 m, a blade chord of 76.2 mm and incorporated a 10% span active tip. The nominal operating speed is 2000 rpm, giving a tip Mach number of 0.47. The blade tips are driven by a novel piezo-induced bending-torsion coupled actuator beam, located spanwise in the hollow mid-cell of the main rotor blade. In hover at 2000 rpm, at 2 deg collective, and for an actuation of 125 Vrms, the measured blade tip deflection at the first four rotor harmonics is between +/-1.7 and +/-2.8 deg, increasing to +/-5.3 deg at 5/rev with resonant amplification. The corresponding oscillatory amplitude of the rotor thrust coefficient is between 0.7 · 10-3 and 1.3 · 10-1 at the first four rotor harmonics, increasing to 2.1 · 10-3 at 5/rev. In general, the experimental blade tip frequency response and corresponding rotor thrust response are well captured by the analysis. The flexbeam root flap bending moment is predicted in trend, but is significantly over-estimated. The blade tips did not deflect as expected at high collective settings, because of the blade tip shaft locking up in the bearing. This is caused by the high flap bending moment on the blade tip shaft. Redesign of the blade tip shaft assembly and bearing support is identified as the primary design improvement for future research. The active blade tip rotor was also used as a testbed for the evaluation of an adaptive neural-network based control algorithm. Effective background vibration reduction of an intentional 1/rev hover imbalance was demonstrated. The control algorithm also showed the capability to generate desired multi-frequency control loads on the hub, based on artificial signal injection into the vibration measurement. The research program demonstrates the technical feasibility of the active blade tip concept for vibration reduction and warrants further investigation in terms of closed loop forward flight tests in the windtunnel and full scale design studies.

Compression Frequency Choice for Compression Mass Gauge Method and Effect on Measurement Accuracy

NASA Astrophysics Data System (ADS)

Fu, Juan; Chen, Xiaoqian; Huang, Yiyong

2013-12-01

It is a difficult job to gauge the liquid fuel mass in a tank on spacecrafts under microgravity condition. Without the presence of strong buoyancy, the configuration of the liquid and gas in the tank is uncertain and more than one bubble may exist in the liquid part. All these will affect the measure accuracy of liquid mass gauge, especially for a method called Compression Mass Gauge (CMG). Four resonance resources affect the choice of compression frequency for CMG method. There are the structure resonance, liquid sloshing, transducer resonance and bubble resonance. Ground experimental apparatus are designed and built to validate the gauging method and the influence of different compression frequencies at different fill levels on the measurement accuracy. Harmonic phenomenon should be considered during filter design when processing test data. Results demonstrate the ground experiment system performances well with high accuracy and the measurement accuracy increases as the compression frequency climbs in low fill levels. But low compression frequencies should be the better choice for high fill levels. Liquid sloshing induces the measurement accuracy to degrade when the surface is excited to wave by external disturbance at the liquid natural frequency. The measurement accuracy is still acceptable at small amplitude vibration.

Developmant of a Reparametrized Semi-Empirical Force Field to Compute the Rovibrational Structure of Large PAHs

NASA Astrophysics Data System (ADS)

Fortenberry, Ryan

The Spitzer Space Telescope observation of spectra most likely attributable to diverse and abundant populations of polycyclic aromatic hydrocarbons (PAHs) in space has led to tremendous interest in these molecules as tracers of the physical conditions in different astrophysical regions. A major challenge in using PAHs as molecular tracers is the complexity of the spectral features in the 3-20 μm region. The large number and vibrational similarity of the putative PAHs responsible for these spectra necessitate determination for the most accurate basis spectra possible for comparison. It is essential that these spectra be established in order for the regions explored with the newest generation of observatories such as SOFIA and JWST to be understood. Current strategies to develop these spectra for individual PAHs involve either matrixisolation IR measurements or quantum chemical calculations of harmonic vibrational frequencies. These strategies have been employed to develop the successful PAH IR spectral database as a repository of basis functions used to fit astronomically observed spectra, but they are limited in important ways. Both techniques provide an adequate description of the molecules in their electronic, vibrational, and rotational ground state, but these conditions do not represent energetically hot regions for PAHs near strong radiation fields of stars and are not direct representations of the gas phase. Some non-negligible matrix effects are known in condensed-phase studies, and the inclusion of anharmonicity in quantum chemical calculations is essential to generate physically-relevant results especially for hot bands. While scaling factors in either case can be useful, they are agnostic to the system studied and are not robustly predictive. One strategy that has emerged to calculate the molecular vibrational structure uses vibrational perturbation theory along with a quartic force field (QFF) to account for higher-order derivatives of the potential energy surface. QFFs can regularly predict the fundamental vibrational frequencies to within 5 cm-1 of experimentally measured values. This level of accuracy represents a reduction in discrepancies by an order of magnitude compared with harmonic frequencies calculated with density functional theory (DFT). The major limitation of the QFF strategy is that the level of electronic-structure theory required to develop a predictive force field is prohibitively time consuming for molecular systems larger than 5 atoms. Recent advances in QFF techniques utilizing informed DFT approaches have pushed the size of the systems studied up to 24 heavy atoms, but relevant PAHs can have up to hundreds of atoms. We have developed alternative electronic-structure methods that maintain the accuracy of the coupled-cluster calculations extrapolated to the complete basis set limit with relativistic and core correlation corrections applied: the CcCR QFF. These alternative methods are based on simplifications of Hartree—Fock theory in which the computationally intensive two-electron integrals are approximated using empirical parameters. These methods reduce computational time to orders of magnitude less than the CcCR calculations. We have derived a set of optimized empirical parameters to minimize the difference molecular ions of astrochemical significance. We have shown that it is possible to derive a set of empirical parameters that will produce RMS energy differences of less than 2 cm- 1 for our test systems. We are proposing to adopt this reparameterization strategy and some of the lessons learned from the informed DFT studies to create a semi-empirical method whose tremendous speed will allow us to study the rovibrational structure of large PAHs with up to 100s of carbon atoms.

Nonlinear Dynamic Behavior of Impact Damage in a Composite Skin-Stiffener Structure

NASA Technical Reports Server (NTRS)

Ooijevaar, T. H.; Rogge, M. D.; Loendersloot, R.; Warnet, L.; Akkerman, R.; deBoer, A.

2013-01-01

One of the key issues in composite structures for aircraft applications is the early identification of damage. Often, service induced damage does not involve visible plastic deformation, but internal matrix related damage, like delaminations. A wide range of technologies, comprising global vibration and local wave propagation methods can be employed for health monitoring purposes. Traditional low frequency modal analysis based methods are linear methods. The effectiveness of these methods is often limited since they rely on a stationary and linear approximation of the system. The nonlinear interaction between a low frequency wave field and a local impact induced skin-stiffener failure is experimentally demonstrated in this paper. The different mechanisms that are responsible for the nonlinearities (opening, closing and contact) of the distorted harmonic waveforms are separated with the help of phase portraits. A basic analytical model is employed to support the observations.

Experimental Study for Reduction of Noises and Vibrations in Hermetic Type Compressor

NASA Astrophysics Data System (ADS)

Sano, Kiyoshi; Kawahara, Sadao; Akazawa, Teruyuki; Ishii, Noriaki

A brushless DC motor with a permanent magnet rotor has been adopted for a scroll compressor for domestic-use air-conditioners because of a demand for compressor high efficiency. A waveform of the driving voltage in the inverter power supply unit is chopped by the PWM signal. Its duty ratio is increased/decreased to control the DC voltage in order to provide a wide range of rotation frequencies for the compressor. The driving voltage includes the carrier frequency and its harmonic components, which produce an electro-magnetic force in the moter, resulting in high electro-magnetic noise. In the present report, the author clarifies the relationships between the noise and the waveform of driving voltage and frequency response function of the motor. A method to improve the frequency response function by changing the stator shape in order to reduce electro-magnetic noise is presented. Subsequently, the influence on electro-magnetic noise from the waveform of driving voltage is examined. Furthermore, the electro-magnetic noises during inverter driving of an induction motor are presented.

The use of SESK as a trend parameter for localized bearing fault diagnosis in induction machines.

PubMed

Saidi, Lotfi; Ben Ali, Jaouher; Benbouzid, Mohamed; Bechhoefer, Eric

2016-07-01

A critical work of bearing fault diagnosis is locating the optimum frequency band that contains faulty bearing signal, which is usually buried in the noise background. Now, envelope analysis is commonly used to obtain the bearing defect harmonics from the envelope signal spectrum analysis and has shown fine results in identifying incipient failures occurring in the different parts of a bearing. However, the main step in implementing envelope analysis is to determine a frequency band that contains faulty bearing signal component with the highest signal noise level. Conventionally, the choice of the band is made by manual spectrum comparison via identifying the resonance frequency where the largest change occurred. In this paper, we present a squared envelope based spectral kurtosis method to determine optimum envelope analysis parameters including the filtering band and center frequency through a short time Fourier transform. We have verified the potential of the spectral kurtosis diagnostic strategy in performance improvements for single-defect diagnosis using real laboratory-collected vibration data sets. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers

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

Fedorov, Dmitry A.; Varganov, Sergey A., E-mail: svarganov@unr.edu; Derevianko, Andrei

2014-05-14

We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X{sup 1}Σ{sup +} electronic state using the coupled cluster with singles doubles and triples method. All-electron quadruple-ζ basis sets with additional core functions are used for Li and Na, and small-core relativistic effective core potentials with quadruple-ζ quality basis sets are used for K, Rb, and Cs. The inclusion of the coupled cluster non-perturbative triple excitations is shown to be crucial for obtainingmore » the accurate potential energy curves. A large one-electron basis set with additional core functions is needed for the accurate prediction of permanent dipole moments. The dissociation energies are overestimated by only 14 cm{sup −1} for LiNa and by no more than 114 cm{sup −1} for the other molecules. The discrepancies between the experimental and calculated harmonic vibrational frequencies are less than 1.7 cm{sup −1}, and the discrepancies for the anharmonic correction are less than 0.1 cm{sup −1}. We show that correlation between atomic electronegativity differences and permanent dipole moment of heteronuclear alkali dimers is not perfect. To obtain the vibrational energies and wave functions the vibrational Schrödinger equation is solved with the B-spline basis set method. The transition dipole moments between all vibrational states, the Einstein coefficients, and the lifetimes of the vibrational states are calculated. We analyze the decay rates of the vibrational states in terms of spontaneous emission, and stimulated emission and absorption induced by black body radiation. In all studied heteronuclear alkali dimers the ground vibrational states have much longer lifetimes than any excited states.« less

Computational modeling and experimental studies of the dynamic performance of ultrasonic horn profiles used in plastic welding.

PubMed

Roopa Rani, M; Rudramoorthy, R

2013-03-01

Ultrasonic horns are tuned components designed to vibrate in a longitudinal mode at ultrasonic frequencies. Reliable performance of such horns is normally decided by the uniformity of vibration amplitude at the working surface and the stress developed during loading condition. The horn design engineer must pay particular attention to designing a tool that will produce the desired amplitude without fracturing. The present work discusses horn configurations which satisfy these criteria and investigates the design requirements of horns in ultrasonic system. Different horn profiles for ultrasonic welding of thermoplastics have been characterized in terms of displacement amplitude and von-Mises stresses using modal and harmonic analysis. To validate the simulated results, five different horns are fabricated from Aluminum, tested and tuned to the operating frequency. Standard ABS plastic parts are welded using these horns. Temperature developed during the welding of ABS test parts using different horns is recorded using sensors and National Instruments (NIs) data acquisition system. The recorded values are compared with the predicted values. Experimental results show that welding using a Bezier horn has a high interface temperature and the welded joints had higher strength as compared to the other horn profiles. Copyright © 2012 Elsevier B.V. All rights reserved.

Harmonics generation near ion-cyclotron frequency of ECR plasma

NASA Astrophysics Data System (ADS)

Chowdhury, Satyajit; Biswas, Subir; Chakrabarti, Nikhil; Pal, Rabindranath

2017-10-01

Wave excitation at different frequency regime is employed in the MaPLE device ECR plasma for varied excitation amplitude. At very low amplitude excitation, mainly fundamental frequency mode of the exciter signal frequency comes into play. With the increase in amplitude of applied perturbation, harmonics are generated and dominant over the fundamental frequency mode. There is a fixed critical amplitude of exciter to yield the harmonics and is independent of applied frequency. Observed harmonics and the main frequency mode has propagation characteristics and are discussed here. Exact mode number and propagation nature are also tried to measure in the experiment. Detailed experimental results will be presented. Department of Science and Technology of Government of India (Project No. SB/S2/HEP-005/2014).

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

NASA Astrophysics Data System (ADS)

Iida, Daisuke; Toge, Kunihiro; Manabe, Tetsuya

2017-07-01

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

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

NASA Astrophysics Data System (ADS)

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-01

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

PubMed

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-21

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Comparison of Fine Structures of Electron Cyclotron Harmonic Emissions in Aurora

NASA Astrophysics Data System (ADS)

Labelle, J. W.; Dundek, M.

2015-12-01

Recent discoveries of emissions at four and five times the electron cyclotron frequency in aurora occuring under daylit conditions motivated the modification of radio receivers at South Pole Station, Antarctica, to measure fine structure of such emissions during two consecutive austral summers, 2013-4 and 2014-5. The experiment recorded 347 emission events over 376 days of observation. The seasonal distribution of these events revealed that successively higher harmonics require higher solar zenith angles for occurrence, as expected if they are generated at locations where the upper hybrid frequency matches the cyclotron harmonic, which for higher harmonics requires higher electron densities which are associated with higher solar zenith angles. Detailed examination of 21 cases in which two harmonics occur simultaneously showed that only rarely, about ten percent of the time, are the frequencies of the fine structures of the emissions in exact integer ratio (e.g., 3:2, 4:3, or 5:4 depending on which combination of harmonics is observed). In the remaining approximately ninety percent of the cases, the higher harmonic occurred at a lower ratio than the appropriate integer ratio, as expected if the harmonics are generated independently at their separate matching conditions in the bottomside ionosphere, where the upper hybrid frequency increases with altitude while the gyroharmonics decrease with altitude. (The bottomside is the most likely source of the emissions, since from there the mode converted Z-modes have access to ground-level.) Taken together, these results suggest that the dominant mechanism for the higher harmonics is independent generation at locations where the upper hybrid frequency matches each harmonic, i.e., at a separate source altitude for each harmonic. Generation of higher harmonics through coalescence of lower harmonic waves explains at most a small minority of events.

Harmonic Frequency Lowering

PubMed Central

Kirchberger, Martin

2016-01-01

A novel algorithm for frequency lowering in music was developed and experimentally tested in hearing-impaired listeners. Harmonic frequency lowering (HFL) combines frequency transposition and frequency compression to preserve the harmonic content of music stimuli. Listeners were asked to make judgments regarding detail and sound quality in music stimuli. Stimuli were presented under different signal processing conditions: original, low-pass filtered, HFL, and nonlinear frequency compressed. Results showed that participants reported perceiving the most detail in the HFL condition. In addition, there was no difference in sound quality across conditions. PMID:26834122

Effects of low harmonics on tone identification in natural and vocoded speech.

PubMed

Liu, Chang; Azimi, Behnam; Tahmina, Qudsia; Hu, Yi

2012-11-01

This study investigated the contribution of low-frequency harmonics to identifying Mandarin tones in natural and vocoded speech in quiet and noisy conditions. Results showed that low-frequency harmonics of natural speech led to highly accurate tone identification; however, for vocoded speech, low-frequency harmonics yielded lower tone identification than stimuli with full harmonics, except for tone 4. Analysis of the correlation between tone accuracy and the amplitude-F0 correlation index suggested that "more" speech contents (i.e., more harmonics) did not necessarily yield better tone recognition for vocoded speech, especially when the amplitude contour of the signals did not co-vary with the F0 contour.

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule

NASA Astrophysics Data System (ADS)

Duchko, A. N.; Bykov, A. D.

2015-10-01

Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ˜5000 cm-1), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

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

Nishimura, Yoshifumi; Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001 Ta-Hsueh Road, Hsinchu 30010, Taiwan; Lee, Yuan-Pern

Vibrational infrared (IR) spectra of gas-phase O–H⋅⋅⋅O methanol clusters up to pentamer are simulated using self-consistent-charge density functional tight-binding method using two distinct methodologies: standard normal mode analysis and Fourier transform of the dipole time-correlation function. The twofold simulations aim at the direct critical assignment of the C–H stretching region of the recently recorded experimental spectra [H.-L. Han, C. Camacho, H. A. Witek, and Y.-P. Lee, J. Chem. Phys. 134, 144309 (2011)]. Both approaches confirm the previous assignment (ibid.) of the C–H stretching bands based on the B3LYP/ANO1 harmonic frequencies, showing that ν{sub 3}, ν{sub 9}, and ν{sub 2} C–Hmore » stretching modes of the proton-accepting (PA) and proton-donating (PD) methanol monomers experience only small splittings upon the cluster formation. This finding is in sharp discord with the assignment based on anharmonic B3LYP/VPT2/ANO1 vibrational frequencies (ibid.), suggesting that some procedural faults, likely related to the breakdown of the perturbational vibrational treatment, led the anharmonic calculations astray. The IR spectra based on the Fourier transform of the dipole time-correlation function include new, previously unaccounted for physical factors such as non-zero temperature of the system and large amplitude motions of the clusters. The elevation of temperature results in a considerable non-homogeneous broadening of the observed IR signals, while the presence of large-amplitude motions (methyl group rotations and PA-PD flipping), somewhat surprisingly, does not introduce any new features in the spectrum.« less

Spectroscopic investigation (FTIR spectrum), NBO, HOMO-LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

NASA Astrophysics Data System (ADS)

Sherin Percy Prema Leela, J.; Hemamalini, R.; Muthu, S.; Al-Saadi, Abdulaziz A.

2015-07-01

Capsicum a hill grown vegetable is also known as red pepper or chili pepper. Capsaicin(8-Methyl-N-vanillyl-6-nonenamide) is the active component in chili peppers, which is currently used in the treatment of osteoarthritis, psoriasis and cancer. Fourier transform infrared (FT-IR) spectrum of Capsaicin in the solid phase were recorded in the region 4000-400 cm-1 and analyzed. The vibrational frequencies of the title compound were obtained theoretically by DFT/B3LYP calculations employing the standard 6-311++G(d,p) basis set and were compared with Fourier transform infrared spectrum. Complete vibrational assignment analysis and correlation of the fundamental modes for the title compound were carried out. The vibrational harmonic frequencies were scaled using scale factor, yielding a good agreement between the experimentally recorded and the theoretically calculated values. Stability of the molecule arising from hyper conjugative interactions, charge delocalization and intra molecular hydrogen bond-like weak interaction has been analyzed using Natural bond orbital (NBO) analysis by using B3LYP/6-311++G(d,p) method. The results show that electron density (ED) in the σ∗ and π∗ antibonding orbitals and second-order delocalization energies E (2) confirm the occurrence of intra molecular charge transfer (ICT) within the molecule. The dipole moment (μ), polarizability (α) and the hyperpolarizability (β) values of the molecule has been computed. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound at different temperatures were calculated.

Resummation of divergent perturbation series: Application to the vibrational states of H2CO molecule.

PubMed

Duchko, A N; Bykov, A D

2015-10-21

Large-order Rayleigh-Schrödinger perturbation theory (RSPT) is applied to the calculation of anharmonic vibrational energy levels of H2CO molecule. We use the model of harmonic oscillators perturbed by anharmonic terms of potential energy. Since the perturbation series typically diverge due to strong couplings, we apply the algebraic approximation technique because of its effectiveness shown earlier by Goodson and Sergeev [J. Chem. Phys. 110, 8205 (1999); ibid. 124, 094111 (2006)] and in our previous articles [A. D. Bykov et al. Opt. Spectrosc. 114, 396 (2013); ibid. 116, 598 (2014)]. To facilitate the resummation of terms contributing to perturbed states, when resonance mixing between states is especially strong and perturbation series diverge very quick, we used repartition of the Hamiltonian by shifting the normal mode frequencies. Energy levels obtained by algebraic approximants were compared with the results of variational calculation. It was found that for low energy states (up to ∼5000 cm(-1)), algebraic approximants gave accurate values of energy levels, which were in excellent agreement with the variational method. For highly excited states, strong and multiple resonances complicate series resummation, but a suitable change of normal mode frequencies allows one to reduce the resonance mixing and to get accurate energy levels. The theoretical background of the problem of RSPT series divergence is discussed along with its numerical analysis. For these purposes, the vibrational energy is considered as a function of a complex perturbation parameter. Layout and classification of its singularities allow us to model the asymptotic behavior of the perturbation series and prove the robustness of the algorithm.

Mechanical property characterization of bilayered tablets using nondestructive air-coupled acoustics.

PubMed

Akseli, Ilgaz; Dey, Dipankar; Cetinkaya, Cetin

2010-03-01

A noncontact/nondestructive air-coupled acoustic technique to be potentially used in mechanical property determination of bilayer tablets is presented. In the reported experiments, a bilayer tablet is vibrated via an acoustic field of an air-coupled transducer in a frequency range sufficiently high to excite several vibrational modes (harmonics) of the tablet. The tablet vibrational transient responses at a number of measurement points on the tablet are acquired by a laser vibrometer in a noncontact manner. An iterative computational procedure based on the finite element method is utilized to extract the Young's modulus, the Poisson's ratio, and the mass density values of each layer material of a bilayer tablet from a subset of the measured resonance frequencies. For verification purposes, a contact ultrasonic technique based on the time-of-flight data of the longitudinal (pressure) and transverse (shear) acoustic waves in each layer of a bilayer tablet is also utilized. The extracted mechanical properties from the air-coupled acoustic data agree well with those determined from the contact ultrasonic measurements. The mechanical properties of solid oral dosage forms have been shown to impact its mechanical integrity, disintegration profile and the release rate of the drug in the digestive tract, thus potentially affecting its therapeutic response. The presented nondestructive technique provides greater insight into the mechanical properties of the bilayer tablets and has the potential to identify quality and performance problems related to the mechanical properties of the bilayer tablets early on the production process and, consequently, reduce associated cost and material waste.

Refinement and evaluation of helicopter real-time self-adaptive active vibration controller algorithms

NASA Technical Reports Server (NTRS)

Davis, M. W.

1984-01-01

A Real-Time Self-Adaptive (RTSA) active vibration controller was used as the framework in developing a computer program for a generic controller that can be used to alleviate helicopter vibration. Based upon on-line identification of system parameters, the generic controller minimizes vibration in the fuselage by closed-loop implementation of higher harmonic control in the main rotor system. The new generic controller incorporates a set of improved algorithms that gives the capability to readily define many different configurations by selecting one of three different controller types (deterministic, cautious, and dual), one of two linear system models (local and global), and one or more of several methods of applying limits on control inputs (external and/or internal limits on higher harmonic pitch amplitude and rate). A helicopter rotor simulation analysis was used to evaluate the algorithms associated with the alternative controller types as applied to the four-bladed H-34 rotor mounted on the NASA Ames Rotor Test Apparatus (RTA) which represents the fuselage. After proper tuning all three controllers provide more effective vibration reduction and converge more quickly and smoothly with smaller control inputs than the initial RTSA controller (deterministic with external pitch-rate limiting). It is demonstrated that internal limiting of the control inputs a significantly improves the overall performance of the deterministic controller.

Human haemodynamic frequency harmonics regulate the inflammatory phenotype of vascular endothelial cells.

PubMed

Feaver, Ryan E; Gelfand, Bradley D; Blackman, Brett R

2013-01-01

Haemodynamic variations are inherent to blood vessel geometries (such as bifurcations) and correlate with regional development of inflammation and atherosclerosis. However, the complex frequency spectrum characteristics from these haemodynamics have never been exploited to test whether frequency variations are critical determinants of endothelial inflammatory phenotype. Here we utilize an experimental Fourier transform analysis to systematically manipulate individual frequency harmonics from human carotid shear stress waveforms applied in vitro to human endothelial cells. The frequency spectrum, specifically the 0 th and 1st harmonics, is a significant regulator of inflammation, including NF-κB activity and downstream inflammatory phenotype. Further, a harmonic-based regression-model predicts eccentric NF-κB activity observed in the human internal carotid artery. Finally, short interfering RNA-knockdown of the mechanosensor PECAM-1 reverses frequency-dependent regulation of NF-κB activity. Thus, PECAM-1 may have a critical role in the endothelium's exquisite sensitivity to complex shear stress frequency harmonics and provide a mechanism for the focal development of vascular inflammation.

A new treatment for predicting the self-excited vibrations of nonlinear systems with frictional interfaces: The Constrained Harmonic Balance Method, with application to disc brake squeal

NASA Astrophysics Data System (ADS)

Coudeyras, N.; Sinou, J.-J.; Nacivet, S.

2009-01-01

Brake squeal noise is still an issue since it generates high warranty costs for the automotive industry and irritation for customers. Key parameters must be known in order to reduce it. Stability analysis is a common method of studying nonlinear phenomena and has been widely used by the scientific and the engineering communities for solving disc brake squeal problems. This type of analysis provides areas of stability versus instability for driven parameters, thereby making it possible to define design criteria. Nevertheless, this technique does not permit obtaining the vibrating state of the brake system and nonlinear methods have to be employed. Temporal integration is a well-known method for computing the dynamic solution but as it is time consuming, nonlinear methods such as the Harmonic Balance Method (HBM) are preferred. This paper presents a novel nonlinear method called the Constrained Harmonic Balance Method (CHBM) that works for nonlinear systems subject to flutter instability. An additional constraint-based condition is proposed that omits the static equilibrium point (i.e. the trivial static solution of the nonlinear problem that would be obtained by applying the classical HBM) and therefore focuses on predicting both the Fourier coefficients and the fundamental frequency of the stationary nonlinear system. The effectiveness of the proposed nonlinear approach is illustrated by an analysis of disc brake squeal. The brake system under consideration is a reduced finite element model of a pad and a disc. Both stability and nonlinear analyses are performed and the results are compared with a classical variable order solver integration algorithm. Therefore, the objectives of the following paper are to present not only an extension of the HBM (CHBM) but also to demonstrate an application to the specific problem of disc brake squeal with extensively parametric studies that investigate the effects of the friction coefficient, piston pressure, nonlinear stiffness and structural damping.

Lattice vibrations in the Frenkel-Kontorova model. I. Phonon dispersion, number density, and energy

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

Meng, Qingping; Wu, Lijun; Welch, David O.

2015-06-17

We studied the lattice vibrations of two inter-penetrating atomic sublattices via the Frenkel-Kontorova (FK) model of a linear chain of harmonically interacting atoms subjected to an on-site potential, using the technique of thermodynamic Green's functions based on quantum field-theoretical methods. General expressions were deduced for the phonon frequency-wave-vector dispersion relations, number density, and energy of the FK model system. In addition, as the application of the theory, we investigated in detail cases of linear chains with various periods of the on-site potential of the FK model. Some unusual but interesting features for different amplitudes of the on-site potential of themore » FK model are discussed. In the commensurate structure, the phonon spectrum always starts at a finite frequency, and the gaps of the spectrum are true ones with a zero density of modes. In the incommensurate structure, the phonon spectrum starts from zero frequency, but at a non-zero wave vector; there are some modes inside these gap regions, but their density is very low. In our approximation, the energy of a higher-order commensurate state of the one-dimensional system at a finite temperature may become indefinitely close to the energy of an incommensurate state. This finding implies that the higher-order incommensurate-commensurate transitions are continuous ones and that the phase transition may exhibit a “devil's staircase” behavior at a finite temperature.« less

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

PubMed

Griffin, M J

1998-05-01

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

Frequency-doubled microwave waveforms generation using a dual-polarization quadrature phase shift keying modulator driven by a single frequency radio frequency signal

NASA Astrophysics Data System (ADS)

Zhu, Zihang; Zhao, Shanghong; Li, Xuan; Qu, Kun; Lin, Tao

2018-01-01

A photonic approach to generate frequency-doubled microwave waveforms using an integrated dual-polarization quadrature phase shift keying (DP-QPSK) modulator driven by a sinusoidal radio frequency (RF) signal is proposed. By adjusting the dc bias points of the DP-QPSK modulator, the obtained second-order and six-order harmonics are in phase while the fourth-order harmonics are complementary when the orthogonal polarized outputs of the modulator are photodetected. After properly setting the modulation indices of the modulator, the amplitude of the second-order harmonic is 9 times of that of the six-order harmonic, indicating a frequency-doubled triangular waveform is generated. If a broadband 90° microwave phase shifter is attached after the photodetector (PD) to introduce a 90° phase shift, a frequency-doubled square waveform can be obtained after adjusting the amplitude of the second-order harmonic 3 times of that of the six-order harmonic. The proposal is first theoretically analyzed and then validated by simulation. Simulation results show that a 10 GHz triangular and square waveform sequences are successfully generated from a 5 GHz sinusoidal RF drive signal.

Anderson localization of shear waves observed by magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Papazoglou, S.; Klatt, D.; Braun, J.; Sack, I.

2010-07-01

In this letter we present for the first time an experimental investigation of shear wave localization using motion-sensitive magnetic resonance imaging (MRI). Shear wave localization was studied in gel phantoms containing arrays of randomly positioned parallel glass rods. The phantoms were exposed to continuous harmonic vibrations in a frequency range from 25 to 175 Hz, yielding wavelengths on the order of the elastic mean free path, i.e. the Ioffe-Regel criterion of Anderson localization was satisfied. The experimental setup was further chosen such that purely shear horizontal waves were induced to avoid effects due to mode conversion and pressure waves. Analysis of the distribution of shear wave intensity in experiments and simulations revealed a significant deviation from Rayleigh statistics indicating that shear wave energy is localized. This observation is further supported by experiments on weakly scattering samples exhibiting Rayleigh statistics and an analysis of the multifractality of wave functions. Our results suggest that motion-sensitive MRI is a promising tool for studying Anderson localization of time-harmonic shear waves, which are increasingly used in dynamic elastography.