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Sample records for dynamic vibration absorberssistema

  1. Coherent vibrational dynamics

    CERN Document Server

    Lanzani, Guglielmo; De Silvestri, Sandro

    2007-01-01

    Vibrational spectroscopy is a powerful investigation tool for a wide class of materials covering diverse areas in physics, chemistry and biology. The continuous development in the laser field regarding ultrashort pulse generation has led to the possibility of producing light pulses that can follow vibrational motion coupled to the electronic transitions in molecules and solids in real time. Aimed at researchers and graduate students using vibrational spectroscopy, this book provides both introductory chapters as well as more advanced contents reporting on recent progress. It also provides a good starting point for scientists seeking a sound introduction to ultrafast optics and spectroscopic techniques.

  2. Dynamical response of vibrating ferromagnets

    CERN Document Server

    Gaganidze, E; Ziese, M

    2000-01-01

    The resonance frequency of vibrating ferromagnetic reeds in a homogeneous magnetic field can be substantially modified by intrinsic and extrinsic field-related contributions. Searching for the physical reasons of the field-induced resonance frequency change and to study the influence of the spin glass state on it, we have measured the low-temperature magnetoelastic behavior and the dynamical response of vibrating amorphous and polycrystalline ferromagnetic ribbons. We show that the magnetoelastic properties depend strongly on the direction of the applied magnetic field. The influence of the re-entrant spin glass transition on these properties is discussed. We present clear experimental evidence that for applied fields perpendicular to the main area of the samples the behavior of ferromagnetic reeds is rather independent of the material composition and magnetic state, exhibiting a large decrease of the resonance frequency. This effect can be very well explained with a model based on the dynamical response of t...

  3. Dynamical response of vibrating ferromagnets

    Science.gov (United States)

    Gaganidze, E.; Esquinazi, P.; Ziese, M.

    2000-02-01

    The resonance frequency of vibrating ferromagnetic reeds in a homogeneous magnetic field can be substantially modified by intrinsic and extrinsic field-related contributions. Searching for the physical reasons of the field-induced resonance frequency change and to study the influence of the spin glass state on it, we have measured the low-temperature magnetoelastic behavior and the dynamical response of vibrating amorphous and polycrystalline ferromagnetic ribbons. We show that the magnetoelastic properties depend strongly on the direction of the applied magnetic field. The influence of the re-entrant spin glass transition on these properties is discussed. We present clear experimental evidence that for applied fields perpendicular to the main area of the samples the behavior of ferromagnetic reeds is rather independent of the material composition and magnetic state, exhibiting a large decrease of the resonance frequency. This effect can be very well explained with a model based on the dynamical response of the reed and the magnetomechanical pole effect within a domain rotation model and is not related to magnetoelasticity.

  4. Vibrational dynamics of crystalline L-alanine

    Energy Technology Data Exchange (ETDEWEB)

    Bordallo, H.N.; Eckert, J. [Los Alamos National Lab., NM (United States); Barthes, M. [Univ. Montpellier II (France)

    1997-11-01

    The authors report a new, complete vibrational analysis of L-alanine and L-alanine-d{sub 4} which utilizes IINS intensities in addition to frequency information. The use of both isotopomers resulted in a self-consistent force field for and assignment of the molecular vibrations in L-alanine. Some details of the calculation as well as a comparison of calculated and observed IINS spectra are presented. The study clarifies a number of important issues on the vibrational dynamics of this molecule and presents a self-consistent force field for the molecular vibrations in crystalline L-alanine.

  5. Molecular Dynamics and Picosecond Vibrational Spectra.

    Science.gov (United States)

    1980-07-01

    and Identify by block number) molecular dynamics picosecond infra-red spectra crmputer simulation vibrational spectra array processor linear rcsponse...that for molecular dynamics theoretical computation is now long enough, to significantly overlap. This overlap of theory and experiment can, at least...to discover these microscopic atomic trajectories, i.e. the molecular dynamics of solution processes, we must be able to both theoretically compute

  6. Dynamics and vibrations progress in nonlinear analysis

    CERN Document Server

    Kachapi, Seyed Habibollah Hashemi

    2014-01-01

    Dynamical and vibratory systems are basically an application of mathematics and applied sciences to the solution of real world problems. Before being able to solve real world problems, it is necessary to carefully study dynamical and vibratory systems and solve all available problems in case of linear and nonlinear equations using analytical and numerical methods. It is of great importance to study nonlinearity in dynamics and vibration; because almost all applied processes act nonlinearly, and on the other hand, nonlinear analysis of complex systems is one of the most important and complicated tasks, especially in engineering and applied sciences problems. There are probably a handful of books on nonlinear dynamics and vibrations analysis. Some of these books are written at a fundamental level that may not meet ambitious engineering program requirements. Others are specialized in certain fields of oscillatory systems, including modeling and simulations. In this book, we attempt to strike a balance between th...

  7. Vibrational and coherence dynamics of molecules

    CERN Document Server

    Zhang, Zhedong

    2015-01-01

    We {\\it analytically} investigate the population and coherence dynamics and relaxations in the vibrational energy transport in molecules. The corresponding two time scales $t_1$ and $t_2$ are explored. Coherence-population entanglement is found to considerably promote the time scale $t_2$ for dephasing and the amplitude of coherence. This is attributed to the suppression of the environment-induced drift force by coherence. Moreover the population imbalance (magnetization) is shown to be significantly amplified with the coherence-population entanglement. Contrary to the previous studies, we exactly elucidate a coherent process by showing $t_1vibrational and orientational dynamics of OH-stretching modes in agreement with the recent experiments, when applied to the water molecules dissolved in D$_2$O. Finally we explore the coherence effect on the heat current at the macroscopic level.

  8. The photodissociation and reaction dynamics of vibrationally excited molecules

    Energy Technology Data Exchange (ETDEWEB)

    Crim, F.F. [Univ. of Wisconsin, Madison (United States)

    1993-12-01

    This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

  9. Vibrational dynamics of hydration water in amylose

    CERN Document Server

    Cavatorta, F; Albanese, G; Angelini, N

    2002-01-01

    We present a study of the dynamical properties of hydration water associated with amylose helices, based on low-temperature vibrational spectra collected using the TOSCA inelastic spectrometer at ISIS. The structural constraints of the polysaccharidic chains favour the formation of a high-density structure for water, which has been suggested by Imberty and Perez on the basis of conformational analysis. According to this model, hydration water can only enter the pores formed by six adjacent helices and completely fills the pores at a hydration level of about 0.27-g water/g dry amylose. Our measurements show that the dynamical behaviour of hydration water is similar to that observed in high-density amorphous ice. (orig.)

  10. Dynamic survey of wind turbine vibrations

    Science.gov (United States)

    Chiang, Chih-Hung; Hsu, Keng-Tsang; Cheng, Chia-Chi; Pan, Chieh-Chen; Huang, Chi-Luen; Cheng, Tao-Ming

    2016-04-01

    Six wind turbines were blown to the ground by the wind gust during the attack of Typhoon Soudelor in August 2015. Survey using unmanned aerial vehicle, UAV, found the collapsed wind turbines had been broken at the lower section of the supporting towers. The dynamic behavior of wind turbine systems is thus in need of attention. The vibration of rotor blades and supporting towers of two wind turbine systems have been measured remotely using IBIS, a microwave interferometer. However the frequency of the rotor blade can be analyzed only if the microwave measurements are taken as the wind turbine is parked and secured. Time-frequency analyses such as continuous wavelet transform and reassigned spectrograms are applied to the displacement signals obtained. A frequency of 0.44Hz exists in both turbines B and C at various operating conditions. Possible links between dynamic characteristics and structural integrity of wind turbine -tower systems is discussed.

  11. DYNAMIC MODELLING OF VIBRATIONS ASSISTED DRILLING

    Directory of Open Access Journals (Sweden)

    Mathieu LADONNE

    2015-05-01

    Full Text Available The number of multi-materials staking configurations for aeronautical structures is increasing, with the evolution of composite and metallic materials. For drilling the fastening holes, the processes of Vibration Assisted Drilling (VAD expand rapidly, as it permits to improve reliability of drilling operations on multilayer structures. Among these processes of VAD, the solution with forced vibrations added to conventional feed to create a discontinuous cutting is the more developed in industry. The back and forth movement allows to improve the evacuation of chips by breaking it. This technology introduces two new operating parameters, the frequency and the amplitude of the oscillation. To optimize the process, the choice of those parameters requires first to model precisely the operation cutting and dynamics. In this paper, a kinematic modelling of the process is firstly proposed. The limits of the model are analysed through comparison between simulations and measurements. The proposed model is used to develop a cutting force model that allows foreseeing the operating conditions which ensure good chips breaking and tool life improvement.

  12. Vibrational mechanics nonlinear dynamic effects, general approach, applications

    CERN Document Server

    Blekhman, Iliya I

    2000-01-01

    This important book deals with vibrational mechanics - the new, intensively developing section of nonlinear dynamics and the theory of nonlinear oscillations. It offers a general approach to the study of the effect of vibration on nonlinear mechanical systems.The book presents the mathematical apparatus of vibrational mechanics which is used to describe such nonlinear effects as the disappearance and appearance under vibration of stable positions of equilibrium and motions (i.e. attractors), the change of the rheological properties of the media, self-synchronization, self-balancing, the vibrat

  13. Dynamics of Multistage Gear Transmission with Effects of Gearbox Vibrations

    Science.gov (United States)

    Choy, F. K.; Tu, Y. K.; Zakrajsek, J. J.; Townsend, Dennis P.

    1990-01-01

    A comprehensive approach is presented in analyzing the dynamic behavior of multistage gear transmission systems with the effects of gearbox induced vibrations and mass imbalances of the rotor. The modal method, with undamped frequencies and planar mode shapes, is used to reduce the degrees of freedom of the gear system for time-transient dynamic analysis. Both the lateral and torsional vibration modes of each rotor-bearing-gear stage as well as the interstage vibrational characteristics are coupled together through localized gear mesh tooth interactions. In addition, gearbox vibrations are also coupled to the rotor-bearing-gear system dynamics through bearing support forces between the rotor and the gearbox. Transient and steady state dynamics of lateral and torsional vibrations of the geared system are examined in both time and frequency domains to develop interpretations of the overall modal dynamic characteristics under various operating conditions. A typical three-stage geared system is used as an example. Effects of mass imbalance and gearbox vibrations on the system dynamic behavior are presented in terms of modal excitation functions for both lateral and torsional vibrations. Operational characteristics and conclusions are drawn from the results presented.

  14. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm{sup {minus}1} intermolecular vibration of the water dimer-d{sub 4}. Each of the VRT subbands originate from K{sub a}{double_prime}=0 and terminate in either K{sub a}{prime}=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A{prime} rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K{sub a}{prime} quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a{prime} symmetry, and the vibration is assigned as the {nu}{sub 12} acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D{sub 2}O-DOH isotopomer.

  15. Vibration-rotation-tunneling dynamics in small water clusters

    Energy Technology Data Exchange (ETDEWEB)

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.

  16. Nonlinear dynamic vibration absorbers with a saturation

    Science.gov (United States)

    Febbo, M.; Machado, S. P.

    2013-03-01

    The behavior of a new type of nonlinear dynamic vibration absorber is studied. A distinctive characteristic of the proposed absorber is the impossibility to extend the system to infinity. The mathematical formulation is based on a finite extensibility nonlinear elastic potential to model the saturable nonlinearity. The absorber is attached to a single degree-of-freedom linear/nonlinear oscillator subjected to a periodic external excitation. In order to solve the equations of motion and to analyze the frequency-response curves, the method of averaging is used. The performance of the FENE absorber is evaluated considering a variation of the nonlinearity of the primary system, the damping and the linearized frequency of the absorber and the mass ratio. The numerical results show that the proposed absorber has a very good efficiency when the nonlinearity of the primary system increases. When compared with a cubic nonlinear absorber, for a large nonlinearity of the primary system, the FENE absorber shows a better effectiveness for the whole studied frequency range. A complete absence of quasi-periodic oscillations is also found for an appropriate selection of the parameters of the absorber. Finally, direct integrations of the equations of motion are performed to verify the accuracy of the proposed method.

  17. Molecular dynamics simulations of vibrated granular gases.

    Science.gov (United States)

    Barrat, Alain; Trizac, Emmanuel

    2002-11-01

    We present molecular dynamics simulations of monodisperse or bidisperse inelastic granular gases driven by vibrating walls, in two dimensions (without gravity). Because of the energy injection at the boundaries, a situation often met experimentally, density and temperature fields display heterogeneous profiles in the direction perpendicular to the walls. A general equation of state for an arbitrary mixture of fluidized inelastic hard spheres is derived and successfully tested against numerical data. Single-particle velocity distribution functions with non-Gaussian features are also obtained, and the influence of various parameters (inelasticity coefficients, density, etc.) are analyzed. The validity of a recently proposed random restitution coefficient model is assessed through the study of projected collisions onto the direction perpendicular to that of energy injection. For the binary mixture, the nonequipartition of translational kinetic energy is studied and compared both to experimental data and to the case of homogeneous energy injection ("stochastic thermostat"). The rescaled velocity distribution functions are found to be very similar for both species.

  18. Explicit Correlated Exciton-Vibrational Dynamics of the FMO Complex

    CERN Document Server

    Schulze, Jan

    2015-01-01

    The coupled exciton-vibrational dynamics of a 3-site FMO model is investigated using the numerically exact multilayer multiconfiguration time-dependent Hartree approach. Thereby the vibrational mode specific coupling to local electronic transitions is adapted from a discretized experimental spectral density. The solution of the resulting time-dependent Schr\\"odinger equation including three electronic and 450 vibrational degrees of freedom is analyzed in terms of excitonic populations and coherences. Emphasis is put onto the role of specific ranges of vibrational frequencies. It is observed that modes between 160 and 300 cm$^{-1}$ are responsible for the subpicosecond population and coherence decay.

  19. Dynamic Vibration Absorber with Negative Stiffness for Rotor System

    Directory of Open Access Journals (Sweden)

    Hongliang Yao

    2016-01-01

    Full Text Available To suppress the vibration of a rotor system, a vibration absorber combining negative stiffness with positive stiffness together is proposed in this paper. Firstly, the negative stiffness producing mechanism using ring type permanent magnets is presented and the characteristics of the negative stiffness are analyzed. Then, the structure of the absorber is proposed; the principles and nonlinear dynamic characteristics of the absorber-rotor system are studied numerically. Finally, experiments are carried out to verify the numerical conclusions. The results show that the proposed vibration absorber is effective to suppress the vibration of the rotor system, the nonlinearity of the negatives stiffness affects the vibration suppression effect little, and the negative stiffness can broaden the effective vibration control frequency range of the absorber.

  20. Dynamical flexibility of torsionally vibrating mechatronic system

    Directory of Open Access Journals (Sweden)

    A. Buchacz

    2008-01-01

    Full Text Available Purpose: of this paper is the application of the approximate method called Galerkin’s method to solve the task of assigning the frequency-modal analysis and characteristics of a mechatronic system.Design/methodology/approach: was the formulated and solved as a problem in the form of a set of differential equations of the considered mechatronic model of an object. To obtain the solution, Galerkin’s method was used. The discussed torsionally vibrating mechatronic system consists of mechanical system, which is a continuous bar of circular cross-section, clamped on its ends. The electrical subsystem of the considered mechatronic system is a ring transducer to be perfectly bonded to the bar surface.Findings: this study is that the parameters of the transducer have an important influence on the values of natural frequencies and on the form of the characteristics of the said mechatronic system. The results of the calculations were not only presented in a mathematical form but also as transients of the examined dynamical characteristic which are a function of frequency of the assumed excitation.Research limitations/implications: is that the linear mechatronic system was considered, for this type of systems, such approach is sufficient.Practical implications: of this researches was that another approach is presented, that means in the domain of frequency spectrum analysis. The method used and the obtained results can be of some value for designers of mechatronic systems.Originality/value: of this paper is that the mechatronic system, created from mechanical and electrical subsystems with electromechanical bondage was examined. This approach is other than those considered elsewhere.

  1. Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation

    Science.gov (United States)

    Okuda, Masaki; Higashi, Masahiro; Ohta, Kaoru; Saito, Shinji; Tominaga, Keisuke

    2017-09-01

    The vibrational dynamics of SCN- in H2O are theoretically investigated by molecular dynamics simulations. Based on the vibrational solvatochromism theory, we calculate the frequency-frequency time correlation function of the SCN anti-symmetric stretching mode, which is characterized by time constants of 0.13 and 1.41 ps. We find that the frequency fluctuation is almost determined by the electrostatic interaction from the water molecules in the first-hydration shell. The collective dynamics of the water molecules in the first-hydration shell is found to be similar to that of bulk water, though the hydrogen bond between the ion and water molecule is very strong.

  2. Dynamic simulation on rubber spring supporting equipment of vibrating screen

    Institute of Scientific and Technical Information of China (English)

    SU Rong-hua; PENG Chen-yu

    2011-01-01

    By ANSYS, dynamic simulation analysis of rubber spring supporting equipment used in vibrating screen was made. The modal frequency, mode, and harmonic displacement under working frequency were obtained. Variation of rubber spring supporting equipment's dynamic performance was discussed first, which is under the condition of existing spring stiffness difference and exciting force bias. Also, the quantitative calculation formulas were given. The results indicate that the performance of vibrating screen is closely related with rubber spring supporting equipment's dynamic performance. Differences of springs' stiffness coefficients reduce the modal frequency reduced, decrease the dynamic stiffness, and increase vibration displacement. Exciting force bias induces a larger lateral displacement. When rubber springs' stiffness coefficients exist, differences and lateral force accounts for 5% in total exciting force; rubber spring supporting equipment's side swing is larger than 1 mm, exceeding the side swing limit.

  3. Tripartite entanglement dynamics of vibrations in triatomic molecules.

    Science.gov (United States)

    Zhai, Liangjun; Zheng, Yujun

    2016-06-21

    In the present study, the dynamical behaviors of tripartite entanglement of vibrations in triatomic molecules are studied based on the Lie algebraic models of molecules. The dynamical behaviors of tripartite entanglement of the local mode molecule H2O and normal mode molecule NO2 are comparatively studied for different initial states by employing the general concurrence. Our results show that the dynamics of tripartite entanglement are relied on the dynamics of intramolecular energy distribution. The local mode molecule is more suitable to construct the tripartite entangled states. Also, the greater degree of tripartite entanglement can be obtained if the stretching vibration is first excited. These results shed new light on the understanding of quantum multipartite entanglement of vibrations in the polyatomic molecules.

  4. Laser-induced vibrational dynamics of ozone in solid argon

    DEFF Research Database (Denmark)

    Hansen, Flemming Yssing; Amstrup, B.; Henriksen, Niels Engholm

    1997-01-01

    We consider the vibrational dynamics, induced by an intense infrared laser pulse, in an ozone molecule with isotopic substitution, that is, (OOO)-O-16-O-16-O-18 and compare the dynamics in the gas phase and in solid ar on. not perturbed by argon on a time-scale of a few picoseconds and selective...

  5. Dynamics analysis of vibration process in Particle Impact Noise Detection

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hui; ZHOU Chang-lei; WANG Shu-juan; ZHAI Guo-fu

    2007-01-01

    Particle Impact Noise Detection (PIND) test is a reliability screening technique for hermetic device that is prescribed by MIL-PRF-39016E. Some test conditions are specified, although MIL-PRF-39016E did not specify how to obtain these conditions. This paper establishes the dynamics model of vibration process based on first order mass-spring system. The corresponding Simulink model is also established to simulate vibration process in optional input excitations. The response equations are derived in sinusoidal excitations and the required electromagnetic force waves are computed in order to obtain a given vibration and shock accelerations. Last, some simulation results are given.

  6. Hierarchical heterogeneous glassy dynamics of configuration changes and vibration modes

    Science.gov (United States)

    Kawasaki, Takeshi; Shiba, Hayato; Onuki, Akira

    2013-02-01

    To understand the quantitative properties of dynamic heterogeneities on glassy particle systems, we use the theoretical scheme of bond-breakage which can detect configuration rearrangements corresponding to the structural relaxations. It is compared with the four-point correlation scheme for the results of binary mixtures with molecular dynamics simulations of two dimensional NVE ensembles. From the comparisons in the systems, we find superpositions of heterogeneity of configuration rearrangements and that induced by low-frequency vibration modes. The bond breakage scheme detects the long-time relaxations without short-time vibrations. The four-point scheme detects the mixed dynamics of the both. We find that the results on four-point scheme are sensitive to the influence of such vibration modes which gives rise to detectable system-size effects in physical properties.

  7. Dynamic tire pressure sensor for measuring ground vibration.

    Science.gov (United States)

    Wang, Qi; McDaniel, James Gregory; Wang, Ming L

    2012-11-07

    This work presents a convenient and non-contact acoustic sensing approach for measuring ground vibration. This approach, which uses an instantaneous dynamic tire pressure sensor (DTPS), possesses the capability to replace the accelerometer or directional microphone currently being used for inspecting pavement conditions. By measuring dynamic pressure changes inside the tire, ground vibration can be amplified and isolated from environmental noise. In this work, verifications of the DTPS concept of sensing inside the tire have been carried out. In addition, comparisons between a DTPS, ground-mounted accelerometer, and directional microphone are made. A data analysis algorithm has been developed and optimized to reconstruct ground acceleration from DTPS data. Numerical and experimental studies of this DTPS reveal a strong potential for measuring ground vibration caused by a moving vehicle. A calibration of transfer function between dynamic tire pressure change and ground acceleration may be needed for different tire system or for more accurate application.

  8. Natural vibration dynamics of Rainbow Bridge, Utah

    Science.gov (United States)

    Moore, J. R.; Thorne, M. S.; Wood, J. R.; Doyle, S.; Stanfield, E.; White, B.

    2015-12-01

    We measured resonant frequencies of Rainbow Bridge, Utah, one of the world's longest rock spans, during a field experiment recording ambient vibration data. Measurements were generated over 20 hours on March 23-24, 2015 using two broadband three-component seismometers placed on the bridge, and compared to concurrent data from nearby reference stations 20 and 220 m distant. We identified seven distinct modes of vibration for Rainbow Bridge between 1 and 6 Hz. Data for each resonant frequency was then analyzed to determine the frequency-dependent polarization vector in an attempt to clarify mode shapes; e.g. the fundamental mode represents out-of-plane horizontal flexure. We compared experimental data to results of 3D numerical modal analysis, using a new photogrammetric model of Rainbow Bridge generated in this study imported into COMSOL Multiphysics. Results compare well with measured data for seven of the first eight modeled modes, matching vibrational frequencies and polarization orientations generally within 10%. Only predicted mode 6 was not explicitly apparent in our experimental data. Large site-to-reference spectral ratios resolved from experimental data indicate high amplification on the bridge as compared to nearby bedrock.

  9. The dynamics of thin vibrated granular layers

    Energy Technology Data Exchange (ETDEWEB)

    Melby, P [Department of Physics, Georgetown University, Washington, DC 20057 (United States); Vega Reyes, F [Department of Physics, Georgetown University, Washington, DC 20057 (United States); Prevost, A [Laboratoire de Physique Statistique de l' Ecole Normale Superieure, CNRS-UMR 8550, 24 rue Lhomond, 75231 Paris cedex 05 (France); Robertson, R [Department of Physics, Georgetown University, Washington, DC 20057 (United States); Kumar, P [Department of Physics, Georgetown University, Washington, DC 20057 (United States); Egolf, D A [Department of Physics, Georgetown University, Washington, DC 20057 (United States); Urbach, J S [Department of Physics, Georgetown University, Washington, DC 20057 (United States)

    2005-06-22

    We describe a series of experiments and computer simulations on vibrated granular media in a geometry chosen to eliminate gravitationally induced settling. The system consists of a collection of identical spherical particles on a horizontal plate vibrating vertically, with or without a confining lid. Previously reported results are reviewed, including the observation of homogeneous, disordered liquid-like states, an instability to a 'collapse' of motionless spheres on a perfect hexagonal lattice, and a fluctuating, hexagonally ordered state. In the presence of a confining lid we see a variety of solid phases at high densities and relatively high vibration amplitudes, several of which are reported for the first time in this article. The phase behaviour of the system is closely related to that observed in confined hard-sphere colloidal suspensions in equilibrium, but with modifications due to the effects of the forcing and dissipation. We also review measurements of velocity distributions, which range from Maxwellian to strongly non-Maxwellian depending on the experimental parameter values. We describe measurements of spatial velocity correlations that show a clear dependence on the mechanism of energy injection. We also report new measurements of the velocity autocorrelation function in the granular layer and show that increased inelasticity leads to enhanced particle self-diffusion.

  10. Intramolecular vibrational dynamical barrier due to extremely irrational couplings

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The intramolecular vibrational dynamics due to extremely irrational couplings is demonstrated by contrast to the resonance couplings, for the three-mode case of H2O as an example. The extremely irrational couplings are shown to impose such strong hindrance to intramolecular vibrational relaxation (IVR) that they act as barriers. They restrict the direct action/energy transfer between the two stretching modes, though they allow the transfer between a stretching and a bending modes. In contrast, the resonance is more mediated by the bending mode and leads to chaotic IVR. It is also shown that there is a region in the dynamical space in which resonance and extremely irrational couplings coexist.

  11. NEW TYPE OF VIBRATION STRUCTURE OF VERTICAL DYNAMIC BALANCING MACHINE

    Institute of Scientific and Technical Information of China (English)

    Li Dinggen; Cao Jiguang; Chen Chuanyao; Wang Junwen

    2004-01-01

    A new type of vibration structure of vertical dynamic balancing machine is designed, which is based on the analysis for swing frame of a traditional vertical dynamic balancing machine. The static unbalance and couple unbalance can be separated effectively by using the new machine with the new swing frame. By building the dynamics model, the advantages of the new structure are discussed in detail. The modal and harmonic response are analyzed by using the ANSYS7.0. By comparing the finite element modal analysis with the experimental modal analysis, the natural frequencies and vibration modes are found out. There are many spring boards in the new swing frame. Their stiffness is different and assort with each other. Furthermore, there are three sensors on the measurement points. Therefore, the new dynamic balancing machine can measure the static unbalance and couple unbalance directly, and the influence between them is faint. The new structure has the function of belt-strain compensation to improve the measurement precision. The practical result indicates that the new vertical dynamic balancing machine is suitable for inertial measurement of flying objects, and can overcome the shortcomings of traditional double-plane vertical dynamic balancing machines. The vertical dynamic balancing machine with the new vibration structure can be widely used in the future applications. The modeling and analysis of the new vibration structure provide theoretic instruction and practical experience for designing new type of vertical dynamic balancing machines. Based on the design principles such as stiffness-matching, frequency-adjacence and strain-compensation and so on, various new type of vibration structures can be designed.

  12. A smart dynamic vibration absorber for suppressing the vibration of a string supported by flexible beams

    Science.gov (United States)

    Nambu, Yohsuke; Yamamoto, Shota; Chiba, Masakatsu

    2014-02-01

    This study aims to effectively and robustly suppress the vibration of tension-stabilized structures (TSSs) using a smart dynamic vibration absorber (DVA). In recent years, a strong need has emerged for high-precision and high-functionality space structural systems for realizing advanced space missions. TSSs have attracted attention in this regard as large yet lightweight structural systems with high storage efficiency. A fundamental issue in the application of TSSs is vibration control of strings, of which TSSs are predominantly composed. In particular, the suppression of microvibrations is difficult because the deformation is almost perpendicular to the direction of vibration. A DVA is an effective device for suppressing microvibrations. However, the damping performance is sensitive to changes in dynamic properties. Furthermore, aging degradation and temperature dependence negatively affect DVA performance. This study aimed to develop a smart, active DVA with self-sensing actuation to improve robustness. A small cantilever with a piezoelectric transducer was utilized as a smart DVA. Numerical simulations and experiments showed that a passive DVA and the smart DVA suppressed vibrations but that the smart DVA showed improved effectiveness and robustness.

  13. Dynamics computation methodology applied to railcar vibrations

    Science.gov (United States)

    Vlaminck, R. R.

    1974-01-01

    The analytical models discussed present typical examples of analyses performed to optimize vehicle parameters and solve specific engineering problems. Subjects investigated include: (1) car body structural dynamics, (2) vehicle dynamic motions and loads, and (3) truck equalization.

  14. Vibrational energy transfer dynamics in ruthenium polypyridine transition metal complexes.

    Science.gov (United States)

    Fedoseeva, Marina; Delor, Milan; Parker, Simon C; Sazanovich, Igor V; Towrie, Michael; Parker, Anthony W; Weinstein, Julia A

    2015-01-21

    Understanding the dynamics of the initial stages of vibrational energy transfer in transition metal complexes is a challenging fundamental question which is also of crucial importance for many applications, such as improving the performance of solar devices or photocatalysis. The present study investigates vibrational energy transport in the ground and the electronic excited state of Ru(4,4'-(COOEt)2-2,2-bpy)2(NCS)2, a close relative of the efficient "N3" dye used in dye-sensitized solar cells. Using the emerging technique of ultrafast two-dimensional infrared spectroscopy, we show that, similarly to other transition-metal complexes, the central Ru heavy atom acts as a "bottleneck" making the energy transfer from small ligands with high energy vibrational stretching frequencies less favorable and thereby affecting the efficiency of vibrational energy flow in the complex. Comparison of the vibrational relaxation times in the electronic ground and excited state of Ru(4,4'-(COOEt)2-2,2-bpy)2(NCS)2 shows that it is dramatically faster in the latter. We propose to explain this observation by the intramolecular electrostatic interactions between the thiocyanate group and partially oxidised Ru metal center, which increase the degree of vibrational coupling between CN and Ru-N modes in the excited state thus reducing structural and thermodynamic barriers that slow down vibrational relaxation and energy transport in the electronic ground state. As a very similar behavior was earlier observed in another transition-metal complex, Re(4,4'-(COOEt)2-2,2'-bpy)(CO)3Cl, we suggest that this effect in vibrational energy dynamics might be common for transition-metal complexes with heavy central atoms.

  15. Dynamical flexibility of discretecontinuous vibrating mechatronic system

    Directory of Open Access Journals (Sweden)

    A. Buchacz

    2008-06-01

    Full Text Available Purpose: The application of approximate method for solving the task of assignment the frequency-modal analysis and characteristics of flexibly vibrating mechatronic system, because for considered case of boundary conditions exact and approximate methods for the coordinates are equivalent.Design/methodology/approach: Formulate and solve the problem in the form of a set of differential equations of motion and state equations of the considered mechatronic model of an object Galerkin’s method was used. The considered flexibly vibrating mechanical system is a continuous beam, clamped at one of its ends. An integral part of the mechatronic system is a transducer perfectly bonded to the beam surface.Findings: The parameters of the transducer exert an important influence on the values of natural frequencies and on the form of the characteristics of the discussed mechatronic system.Research limitations/implications: The linear mechanical subsystem and linear electrical subsystem of the mechatronic system were analyzed and the theory Euler-Bernoulli is used for the beam; however, this approach is sufficient for such systems.Practical implications: Global approach is presented in the domain of frequency spectrum analysis. The methods of analysis and the obtained results my give grounds for designing and investigating this type of mechatronic systems.Originality/value: The mechatronic system created from mechanical and electric subsystems with electromechanical bondage has been considered. This approach is different from those considered so far.

  16. Dynamic stiffness of suction caissons - vertical vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Ibsen, Lars Bo; Liingaard, M.; Andersen, Lars

    2006-12-15

    The dynamic response of offshore wind turbines are affected by the properties of the foundation and the subsoil. The purpose of this report is to evaluate the dynamic soil-structure interaction of suction caissons for offshore wind turbines. The investigation is limited to a determination of the vertical dynamic stiffness of suction caissons. The soil surrounding the foundation is homogenous with linear viscoelastic properties. The dynamic stiffness of the suction caisson is expressed by dimensionless frequency-dependent dynamic stiffness coefficients corresponding to the vertical degree of freedom. The dynamic stiffness coefficients for the foundations are evaluated by means of a dynamic three-dimensional coupled Boundary Element/Finite Element model. Comparisons are made with known analytical and numerical solutions in order to evaluate the static and dynamic behaviour of the Boundary Element/Finite Element model. The vertical frequency dependent stiffness has been determined for different combinations of the skirt length, Poisson's ratio and the ratio between soil stiffness and skirt stiffness. Finally the dynamic behaviour at high frequencies is investigated. (au)

  17. Finite Element Vibration and Dynamic Response Analysis of Engineering Structures

    Directory of Open Access Journals (Sweden)

    Jaroslav Mackerle

    2000-01-01

    Full Text Available This bibliography lists references to papers, conference proceedings, and theses/dissertations dealing with finite element vibration and dynamic response analysis of engineering structures that were published from 1994 to 1998. It contains 539 citations. The following types of structures are included: basic structural systems; ground structures; ocean and coastal structures; mobile structures; and containment structures.

  18. Dynamics of micromachined vibrating gimbal and wheel gyroscope

    Institute of Scientific and Technical Information of China (English)

    TijingCAI

    2000-01-01

    We deduce dynamic equations of micromachined vibrating gimbal and wheel gyroscope and give an approximate solution of enough accuracy. The comparison between the approximate solution and the solution used often in the literature is given. According to property of the approximate solution a decoupled two-axes gyroscope will be composed of two single-axes gyroscopes.

  19. Advances in molecular vibrations and collision dynamics molecular clusters

    CERN Document Server

    Bacic, Zatko

    1998-01-01

    This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, refle...

  20. Dynamic stiffness of horizontally vibrating suction caissons

    DEFF Research Database (Denmark)

    Latini, Chiara; Zania, Varvara; Cisternino, Michele

    2016-01-01

    The promising potential for offshore wind market is on developing wind farms in deeper waters with bigger turbines. In deeper waters the design foundation configuration may consist of jacket structures supported by floating piles or by suction caissons. Taking the soil-structure interaction effects...... into consideration requires the prior estimation of the dynamic impedances of the foundation. Even though numerous studies exist for piles, only limited number of publications can be found for suction caissons subjected to dynamic loads. Therefore, the purpose of this study is to examine the dynamic response...... of this type of foundation using the finite element method (FEM) to account for the interaction with the soil. 3D numerical models for both the soil and the suction caisson are formulated in a frequency domain. The response of the soil surrounding the foundation is considered linear viscoelastic...

  1. Research on product size and grinding dynamics of vibration mills

    Institute of Scientific and Technical Information of China (English)

    YIN Zhong-jun; HAN Tian; CHEN Bing; ZHANG Wen-zhong

    2007-01-01

    In order to improve vibration mills grinding effect and increase productive efficiency, prime factors of vibration mills were gained much attention. The purpose of this study is to reveal product size distribution and grinding dynamics of vibration mills by orthogonal experi-ments. The metallurgical refractory materials were used as research object. In order to explore the relationships between grinding effect and primary factors, lots of milling experiments were carried out. Based on the results, the conclusions can be summarized: as time runs, the size distri-bution shows exponential trend, and range becomes more and more narrow. Also the quantitative analysis result between grinding effect and primary factors was obtained by non-linear regres-sion: high frequency, high amplitude and low fill ratio can increase grinding speed.

  2. Design of Hybrid Dynamic Balancer and Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Y. R. Wang

    2014-01-01

    Full Text Available This study proposed a novel hybrid dynamic balancer and vibration absorber that is cheaper than active dampers and more effective than passive dampers. The proposed damping system does not need to be altered structurally to deal with different damping targets. Rather, the proposed vibration absorber is capable of self-adjustment to the optimal damping location in order to achieve balance and, thereby, optimize damping effects. The proposed device includes a groove under the damping target with inertial mass hung from a coil spring beneath. This allows the device to bounce vertically or rotate in order to reduce vibrations in the main body. The coil spring vibration absorber can also slide along the groove in order to adjust its location continuously until the vibrations in the system are minimized and the main body is balanced. Experiments verify the efficacy of the proposed device in improving damping performance beyond what has been achieved using conventional devices. We also provide an explanation of the theoretical underpinnings of the design as well as the implications of these findings with regard to future developments.

  3. Coherent Exciton Dynamics in the Presence of Underdamped Vibrations.

    Science.gov (United States)

    Dijkstra, Arend G; Wang, Chen; Cao, Jianshu; Fleming, Graham R

    2015-02-19

    Recent ultrafast optical experiments show that excitons in large biological light-harvesting complexes are coupled to molecular vibration modes. These high-frequency vibrations will not only affect the optical response, but also drive the exciton transport. Here, using a model dimer system, the frequency of the underdamped vibration is shown to have a strong effect on the exciton dynamics such that quantum coherent oscillations in the system can be present even in the case of strong noise. Two mechanisms are identified to be responsible for the enhanced transport efficiency: critical damping due to the tunable effective strength of the coupling to the bath, and resonance coupling where the vibrational frequency coincides with the energy gap in the system. The interplay of these two mechanisms determines parameters responsible for the most efficient transport, and these optimal control parameters are comparable to those in realistic light-harvesting complexes. Interestingly, oscillations in the excitonic coherence at resonance are suppressed in comparison to the case of an off-resonant vibration.

  4. Temperature-independent vibrational dynamics in an organic photovoltaic material.

    Science.gov (United States)

    Pensack, Ryan D; Banyas, Kyle M; Asbury, John B

    2010-09-30

    Ultrafast orientational motion and spectral diffusion of the carbonyl stretch vibration of the functionalized fullerene, PCBM, blended with the conjugated polymer, CN-MEH-PPV, are examined with two-dimensional infrared and polarization-resolved IR pump probe spectroscopy. In previous contributions from our group, the carbonyl stretch frequency of PCBM has been used as a local vibrational reporter to measure the temperature dependence of the time scale for dissociation of charge transfer excitons in CN-MEH-PPV:PCBM polymer blends. It was found that the rate of charge separation is independent of temperature, indicating that charge separation occurs through an activationless pathway. This assignment was supported by the observation at room temperature that thermal fluctuations do not give rise to spectral diffusion of the carbonyl stretch vibration on the picosecond and longer time scale. In this contribution, we examine the temperature dependence of the carbonyl vibrational dynamics to determine whether thermal fluctuations might give rise to spectral diffusion at other temperatures. We find that the time scale for fast wobbling-in-cone orientational motion is independent of temperature on the subpicosecond time scale. Similarly, spectral diffusion is not observed on the picosecond and longer time scale at all temperatures examined confirming our earlier interpretation of the frequency shift dynamics exclusively in terms of charge separation. Interestingly, the half angle characterizing the wobbling-in-cone orientational motion does increase at higher temperature due to increased free-volume resulting from thermal expansion of the polymer blend.

  5. Measurement of dynamic surface tension by mechanically vibrated sessile droplets

    Science.gov (United States)

    Iwata, Shuichi; Yamauchi, Satoko; Yoshitake, Yumiko; Nagumo, Ryo; Mori, Hideki; Kajiya, Tadashi

    2016-04-01

    We developed a novel method for measuring the dynamic surface tension of liquids using mechanically vibrated sessile droplets. Under continuous mechanical vibration, the shape of the deformed droplet was fitted by numerical analysis, taking into account the force balance at the drop surface and the momentum equation. The surface tension was determined by optimizing four parameters: the surface tension, the droplet's height, the radius of the droplet-substrate contact area, and the horizontal symmetrical position of the droplet. The accuracy and repeatability of the proposed method were confirmed using drops of distilled water as well as viscous aqueous glycerol solutions. The vibration frequency had no influence on surface tension in the case of pure liquids. However, for water-soluble surfactant solutions, the dynamic surface tension gradually increased with vibration frequency, which was particularly notable for low surfactant concentrations slightly below the critical micelle concentration. This frequency dependence resulted from the competition of two mechanisms at the drop surface: local surface deformation and surfactant transport towards the newly generated surface.

  6. Quantum correlation dynamics in photosynthetic processes assisted by molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Giorgi, G.L., E-mail: g.giorgi@inrim.it [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Roncaglia, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy); Raffa, F.A. [Politecnico di Torino, Dipartimento di Scienza Applicata e Tecnologia, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy); Genovese, M. [INRIM, Strada delle Cacce 91, I-10135 Torino (Italy)

    2015-10-15

    During the long course of evolution, nature has learnt how to exploit quantum effects. In fact, recent experiments reveal the existence of quantum processes whose coherence extends over unexpectedly long time and space ranges. In particular, photosynthetic processes in light-harvesting complexes display a typical oscillatory dynamics ascribed to quantum coherence. Here, we consider the simple model where a dimer made of two chromophores is strongly coupled with a quasi-resonant vibrational mode. We observe the occurrence of wide oscillations of genuine quantum correlations, between electronic excitations and the environment, represented by vibrational bosonic modes. Such a quantum dynamics has been unveiled through the calculation of the negativity of entanglement and the discord, indicators widely used in quantum information for quantifying the resources needed to realize quantum technologies. We also discuss the possibility of approximating additional weakly-coupled off-resonant vibrational modes, simulating the disturbances induced by the rest of the environment, by a single vibrational mode. Within this approximation, one can show that the off-resonant bath behaves like a classical source of noise.

  7. Ab initio centroid path integral molecular dynamics: Application to vibrational dynamics of diatomic molecular systems

    Science.gov (United States)

    Ohta, Yasuhito; Ohta, Koji; Kinugawa, Kenichi

    2004-01-01

    An ab initio centroid molecular dynamics (CMD) method is developed by combining the CMD method with the ab initio molecular orbital method. The ab initio CMD method is applied to vibrational dynamics of diatomic molecules, H2 and HF. For the H2 molecule, the temperature dependence of the peak frequency of the vibrational spectral density is investigated. The results are compared with those obtained by the ab initio classical molecular dynamics method and exact quantum mechanical treatment. It is shown that the vibrational frequency obtained from the ab initio CMD approaches the exact first excitation frequency as the temperature lowers. For the HF molecule, the position autocorrelation function is also analyzed in detail. The present CMD method is shown to well reproduce the exact quantum result for the information on the vibrational properties of the system.

  8. Measurement of Dynamic Viscoelasticity of Full-Size Wood Composite Panels Using a Vibration Testing Method

    Science.gov (United States)

    Cheng Guan; Houjiang Zhang; John F. Hunt; Lujing Zhou; Dan Feng

    2016-01-01

    The dynamic viscoelasticity of full-size wood composite panels (WCPs) under the free-free vibrational state were determined by a vibration testing method. Vibration detection tests were performed on 194 pieces of three types of full-size WCPs (particleboard, medium density fiberboard, and plywood (PW)). The dynamic viscoelasticity from smaller specimens cut from the...

  9. Prediction of dynamic loads and induced vibrations in stall

    Energy Technology Data Exchange (ETDEWEB)

    Thirstrup Petersen, J.; Aagaard Madsen, H. [Risoe National Lab. (Denmark); Bjoerck, A. [Aeronautical Research Inst. of Sweden (Sweden); Enevoldsen, P. [Bonus Energy A/S (Denmark); Oeye, S. [The Technical Univ. of Denmark (Denmark); Ganander, H. [Teknikgruppen AB (Sweden); Winkelaar, D. [Netherlands Energy Research Foundation (Netherlands)

    1998-05-01

    Results from research in an EC Joule-III project and from national projects are presented. The objectives are improvement of design methods for stall regulated wind turbines with emphasis on stall induced vibrations and dynamic stall. The primary concern is limitation of the edgewise vibrations in the fundamental blade natural mode shape, which have caused trouble on modern wind turbines of approximate size 500 kW nominal power and 40 m rotor diameter. A theoretical study of quasi-steady aerodynamics confirms that the vibrations are driven basically by energy supplied from the aerodynamic forces during stalled operation. This energy exchange is equivalent to negative aerodynamic damping. The theoretical approach identifies the main parameters controlling the phenomenon. These parameters describe the steady and the dynamic airfoil characteristics, the overall aerodynamic layout of the blade, e.g. chord length and twist, the structural properties of the blade, e.g. structural damping and properties controlling the resulting vibration direction. Furthermore, full aeroelastic calculations and comparison with measurements show that the properties of the supporting structure, i.e. the main shaft, the nacelle and the tower, are important, as the global vibration of the rotor on its support may exchange energy with the blade vibration, when the blade natural frequency is close to one of the frequencies of the coupled rotor tilt-yaw mode shapes, usually denoted the global rotor whirl frequencies. It is confirmed that the influence of changing the primary design parameters can be determined by use of qualified aeroelastic calculations. Presented design guidelines therefore build on both the simple quasi-steady models, which can be used for the preliminary choice of the design variables mentioned above, and on full aeroelastic calculations. The aeroelastic calculations refine the design basis and should be used for choosing the final design variables and for final

  10. Structural dynamics in complex liquids studied with multidimensional vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tokmakoff, Andrei [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2013-08-31

    The development of new sustainable energy sources is linked to our understanding of the molecular properties of water and aqueous solutions. Energy conversion, storage, and transduction processes, particularly those that occur in biology, fuel cells, and batteries, make use of water for the purpose of moving energy in the form of charges and mediating the redox chemistry that allows this energy to be stored as and released from chemical bonds. To build our fundamental knowledge in this area, this project supports work in the Tokmakoff group to investigate the molecular dynamics of water’s hydrogen bond network, and how these dynamics influence its solutes and the mechanism of proton transport in water. To reach the goals of this grant, we developed experiments to observe molecular dynamics in water as directly as possible, using ultrafast multidimensional vibrational spectroscopy. We excite and probe broad vibrational resonances of water, molecular solutes, and protons in water. By correlating how molecules evolve from an initial excitation frequency to a final frequency, we can describe the underlying molecular dynamics. Theoretical modeling of the data with the help of computational spectroscopy coupled with molecular dynamics simulations provided the atomistic insight in these studies.

  11. The dynamics of "stretched molecules": Experimental studies of highly vibrationally excited molecules with stimulated emission pumping

    NARCIS (Netherlands)

    Silva, M.; Jongma, R.; Field, R. W.; Wodtke, A. M.

    2001-01-01

    We review stimulated emission pumping as used to study molecular dynamics. The review presents unimolecular as well as scattering studies. Topics include intramolecular vibrational redistribution, unimolecular isomerization and dissociation, van der Waals clusters, rotational energy transfer, vibrat

  12. H∞ optimization of dynamic vibration absorber variant for vibration control of damped linear systems

    Science.gov (United States)

    Chun, Semin; Lee, Youngil; Kim, Tae-Hyoung

    2015-01-01

    This study focuses on the H∞ optimal design of a dynamic vibration absorber (DVA) variant for suppressing high-amplitude vibrations of damped primary systems. Unlike traditional DVA configurations, the damping element in this type of DVA is connected directly to the ground instead of the primary mass. First, a thorough graphical analysis of the variations in the maximum amplitude magnification factor depending on two design parameters, natural frequency and absorber damping ratios, is performed. The results of this analysis clearly show that any fixed-points-theory-based conventional method could provide, at best, only locally but not globally optimal parameters. Second, for directly handling the H∞ optimization for its optimal design, a novel meta-heuristic search engine, called the diversity-guided cyclic-network-topology-based constrained particle swarm optimization (Div-CNT-CPSO), is developed. The variant DVA system developed using the proposed Div-CNT-CPSO scheme is compared with those reported in the literature. The results of this comparison verified that the proposed system is better than the existing methods for suppressing the steady-state vibration amplitude of a controlled primary system.

  13. Unsteady Vibration Aerodynamic Modeling and Evaluation of Dynamic Derivatives Using Computational Fluid Dynamics

    Directory of Open Access Journals (Sweden)

    Xu Liu

    2015-01-01

    Full Text Available Unsteady aerodynamic system modeling is widely used to solve the dynamic stability problems encountering aircraft design. In this paper, single degree-of-freedom (SDF vibration model and forced simple harmonic motion (SHM model for dynamic derivative prediction are developed on the basis of modified Etkin model. In the light of the characteristics of SDF time domain solution, the free vibration identification methods for dynamic stability parameters are extended and applied to the time domain numerical simulation of blunted cone calibration model examples. The dynamic stability parameters by numerical identification are no more than 0.15% deviated from those by experimental simulation, confirming the correctness of SDF vibration model. The acceleration derivatives, rotary derivatives, and combination derivatives of Army-Navy Spinner Rocket are numerically identified by using unsteady N-S equation and solving different SHV patterns. Comparison with the experimental result of Army Ballistic Research Laboratories confirmed the correctness of the SHV model and dynamic derivative identification. The calculation result of forced SHM is better than that by the slender body theory of engineering approximation. SDF vibration model and SHM model for dynamic stability parameters provide a solution to the dynamic stability problem encountering aircraft design.

  14. Vibrational dynamics of Zr-based bulk metallic glasses

    Institute of Scientific and Technical Information of China (English)

    Aditya M.VORA

    2009-01-01

    The vibrational dynamics of some Zr-based bulkmetallic glasses were studied at room temperature in terms of phonon eigen frequencies of longitudinal and transverse modes employing three different approaches proposed by Hubbard-Beeby (HB), Takeno-Goda (TG) and Bhatia-Singh (BS). The well recognized model potential is employed successfully to explain electron-ion interaction in the metallic glass. The present findings of phonon dispersion curve are found to be in fair agreement with available theoretical as well as experimental data. The thermodynamic properties obtained by the HB and TG approaches are found to be much lower than those obtained by the BS approach.

  15. NONLINEAR DYNAMICAL CHARACTERISTICS OF PILES UNDER HORIZONTAL VIBRATION

    Institute of Scientific and Technical Information of China (English)

    HU Yu-jia; CHENG Chang-jun; YANG Xiao

    2005-01-01

    The pile-soil system is regarded as a visco-elastic half-space embedded pile. Based on the method of continuum mechanics, a nonlinear mathematical model of pilesoil interaction was established-a coupling nonlinear boundary value problem. Under the case of horizontal vibration, the nonlinearly dynamical characteristics of pile applying the axis force were studied in horizontal direction in frequency domain. The effects of parameters, especially the axis force on the stiffness were studied in detail. The numerical results suggest that it is possible that the pile applying an axis force will lose its stability. So, the effect of the axis force on the pile is considered.

  16. Recurrence plot analysis of nonlinear vibrational dynamics in H sub 3 sup + molecule

    CERN Document Server

    Babinec, P

    2003-01-01

    An ab initio classical trajectories obtained from the simulation of vibrational mode dynamics of H sub 3 sup + molecule were analyzed by Fourier transform and recurrence plot analysis. As has been found, at a particular value of energy supplied to vibrational modes (slightly above the zero point energy) the character of vibrational motion changes from regular to chaotic.

  17. Dynamics of Vibration Machine with Air Flow Excitation and Restrictions on Phase Coordinates

    OpenAIRE

    Vība, J; Beresņevičs, V; Štāls, L; Eiduks, M; Kovals, E.; Kruusmaa, M.

    2010-01-01

    The objective of presented article is to show possibilities of practical use of air or liquid flow in vibration engineering. Dynamics of vibration machine with constant air or liquid flow excitation is considered. In the first part vibration motion of the machine working head under constant air or liquid flow velocity excitation is investigated. The main idea is to find out optimal control law for variation of additional surface area of vibrating object within limits. The criterion of optimiz...

  18. Vibration properties of and power harvested by a system of electromagnetic vibration energy harvesters that have electrical dynamics

    Science.gov (United States)

    Cooley, Christopher G.

    2017-09-01

    This study investigates the vibration and dynamic response of a system of coupled electromagnetic vibration energy harvesting devices that each consist of a proof mass, elastic structure, electromagnetic generator, and energy harvesting circuit with inductance, resistance, and capacitance. The governing equations for the coupled electromechanical system are derived using Newtonian mechanics and Kirchhoff circuit laws for an arbitrary number of these subsystems. The equations are cast in matrix operator form to expose the device's vibration properties. The device's complex-valued eigenvalues and eigenvectors are related to physical characteristics of its vibration. Because the electrical circuit has dynamics, these devices have more natural frequencies than typical electromagnetic vibration energy harvesters that have purely resistive circuits. Closed-form expressions for the steady state dynamic response and average power harvested are derived for devices with a single subsystem. Example numerical results for single and double subsystem devices show that the natural frequencies and vibration modes obtained from the eigenvalue problem agree with the resonance locations and response amplitudes obtained independently from forced response calculations. This agreement demonstrates the usefulness of solving eigenvalue problems for these devices. The average power harvested by the device differs substantially at each resonance. Devices with multiple subsystems have multiple modes where large amounts of power are harvested.

  19. Effects of gear box vibration and mass imbalance on the dynamics of multistage gear transmission

    Science.gov (United States)

    Choy, F. K.; Tu, Y. K.; Zakrajsek, J. J.; Townsend, D. P.

    1991-01-01

    The dynamic behavior of multistage gear transmission system, with the effects of gear-box-induced vibrations and rotor mass-imbalances is analyzed. The model method, using undamped frequencies and planar mode shapes, is used to reduce the degree-of-freedom of the system. The various rotor-bearing stages as well as lateral and torsional vibrations of each individual stage are coupled through localized gear-mesh-tooth interactions. Gear-box vibrations are coupled to the gear stage dynamics through bearing support forces. Transient and steady state dynamics of lateral and torsional vibrations of the geared system are examined in both time and frequency domain. A typical three-staged geared system is used as an example. Effects of mass-imbalance and gear box vibrations on the system dynamic behavior are presented in terms of modal excitation functions for both lateral and torsional vibrations. Operational characteristics and conclusions are drawn from the results presented.

  20. Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach

    Science.gov (United States)

    Borrelli, Raffaele; Gelin, Maxim F.

    2016-12-01

    Quantum electron-vibrational dynamics in molecular systems at finite temperature is described using an approach based on the thermo field dynamics theory. This formulation treats temperature effects in the Hilbert space without introducing the Liouville space. A comparison with the theoretically equivalent density matrix formulation shows the key numerical advantages of the present approach. The solution of thermo field dynamics equations with a novel technique for the propagation of tensor trains (matrix product states) is discussed. Numerical applications to model spin-boson systems show that the present approach is a promising tool for the description of quantum dynamics of complex molecular systems at finite temperature.

  1. DESIGN AND DYNAMICAL SIMULATION TO NEW VIBRATING CENTRIFUGE WITH WIDER FREQUENCY RANGE

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    A new type of vibrating centrifuge with wider frequency range is designed instead of the traditional one with a single frequency to improve the vibrating effect. With the aid of a new dynamical model, one simulation without considering the visco-elasticity of basis is presented, then the dynamical responses of time and frequency in different scheme are given. The computational results show that the improved vibrating centrifuge possesses a remarkably widened frequency range.

  2. Analytically optimal parameters of dynamic vibration absorber with negative stiffness

    Science.gov (United States)

    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.

  3. Dynamic range of atomically thin vibrating nanomechanical resonators

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zenghui; Feng, Philip X.-L., E-mail: philip.feng@case.edu [Department of Electrical Engineering and Computer Science, Case School of Engineering, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio 44106 (United States)

    2014-03-10

    Atomically thin two-dimensional (2D) crystals offer attractive properties for making resonant nanoelectromechanical systems (NEMS) operating at high frequencies. While the fundamental limits of linear operation in such systems are important, currently there is very little quantitative knowledge of the linear dynamic range (DR) and onset of nonlinearity in these devices, which are different than in conventional 1D NEMS such as nanotubes and nanowires. Here, we present theoretical analysis and quantitative models that can be directly used to predict the DR of vibrating 2D circular drumhead NEMS resonators. We show that DR has a strong dependence ∝10log(E{sub Y}{sup 3/2}ρ{sub 3D}{sup -1/2}rtε{sup 5/2}) on device parameters, in which strain ε plays a particularly important role in these 2D systems, dominating over dimensions (radius r, thickness t). This study formulizes the effects from device physical parameters upon DR and sheds light on device design rules toward achieving high DR in 2D NEMS vibrating at radio and microwave frequencies.

  4. Vibrational dynamics of aqueous hydroxide solutions probed using broadband 2DIR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mandal, Aritra [Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637 (United States); Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Tokmakoff, Andrei, E-mail: tokmakoff@uchicago.edu [Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637 (United States)

    2015-11-21

    We employed ultrafast transient absorption and broadband 2DIR spectroscopy to study the vibrational dynamics of aqueous hydroxide solutions by exciting the O–H stretch vibrations of the strongly hydrogen-bonded hydroxide solvation shell water and probing the continuum absorption of the solvated ion between 1500 and 3800 cm{sup −1}. We observe rapid vibrational relaxation processes on 150–250 fs time scales across the entire probed spectral region as well as slower vibrational dynamics on 1–2 ps time scales. Furthermore, the O–H stretch excitation loses its frequency memory in 180 fs, and vibrational energy exchange between bulk-like water vibrations and hydroxide-associated water vibrations occurs in ∼200 fs. The fast dynamics in this system originate in strong nonlinear coupling between intra- and intermolecular vibrations and are explained in terms of non-adiabatic vibrational relaxation. These measurements indicate that the vibrational dynamics of the aqueous hydroxide complex are faster than the time scales reported for long-range transport of protons in aqueous hydroxide solutions.

  5. Dynamical weakening of pyroclastic flows by mechanical vibrations

    Science.gov (United States)

    Valverde, Jose Manuel; Soria-Hoyo, Carlos; Roche, Olivier

    2017-06-01

    Dynamical weakening of dense granular flows plays a critical role on diverse geological events such as seismic faulting and landslides. A common feature of these processes is the development of fluid-solid relative flows that could lead to fluidization by hydrodynamic viscous stresses. Volcanic ash landslides (pyroclastic flows) are characterized by their high mobility often attributed to fluidization of the usually fine and/or low-density particles by their interaction with the entrapped gas. However, the physical mechanism that might drive sustained fluidization of these dense granular flows over extraordinarily long runout distances is elusive. The behavior of volcanic ash in a slowly rotating drum subjected to mechanical vibrations shown in this work suggests that fluid-particle relative oscillations in dense granular flows present in volcanic eruption events can promote pore gas pressure at reduced shear rates as to sustain fluidization.

  6. Dynamic Discontinuous Control for Active Control of Mechanical Vibrations

    Directory of Open Access Journals (Sweden)

    Orestes Llanes Santiago

    2010-02-01

    Full Text Available This article shows the use of the discontinuous control using dynamic sliding modes for the active isolation of vibrations in mechanical systems. This type of control law constitutes a robust feedback control policy due to its insensitivity to external disturbance inputs, certain immunity to model parameter variations, within known bounds, and to the ever present modelling errors.  The whole theoretical analysis is applied to a lineal model of two degrees of freedom of the vehicle's suspension where the irregularities of the land represent of direct  way the external interferences to the system . To carry out the isolation an electro-hydraulic operator it is used. Simulations are performed which validate the proposed approach.

  7. Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation

    Directory of Open Access Journals (Sweden)

    Junfeng Gu

    2014-01-01

    Full Text Available We propose a molecular dynamics method with vibration excitation, named as VEMD, to investigate the vibration effect on chain folding for polymer molecule. The VEMD method is based on the introduction of periodic force, the amplitude and frequency of which can be adjusted, and the method was applied to the folding simulation of a polyethylene chain. Simulation results show that the vibration excitation significantly affects the folding of the polyethylene, and frequency and amplitude of the vibration excitation play key roles in VEMD. Different frequencies and amplitudes will determine how and to what extent does the vibration excitation affect the folding process of the polyethylene structure.

  8. Dynamic Assessment of Vibration of Tooth Modification Gearbox Using Grey Bootstrap Method

    Directory of Open Access Journals (Sweden)

    Hui-liang Wang

    2015-01-01

    Full Text Available The correlation analysis between gear modification and vibration characteristics of transmission system was difficult to quantify; a novel small sample vibration of gearbox prediction method based on grey system theory and bootstrap theory was presented. The method characterized vibration base feature of tooth modification gearbox by developing dynamic uncertainty, estimated true value, and systematic error measure, and these parameters could indirectly dynamically evaluate the effect of tooth modification. The method can evaluate the vibration signal of gearbox with installation of no tooth modification gear and topological modification gear, respectively, considering that 100% reliability is the constraints condition and minimum average uncertainty is the target value. Computer simulation and experiment results showed that vibration amplitude of gearbox was decreased partly due to topological tooth modification, and each value of average dynamic uncertainty, mean true value, and systematic error measure was smaller than the no tooth modification value. The study provided an important guide for tooth modification, dynamic performance optimization.

  9. Dynamic model of vibrating-sliding-uplift rocking coupled motion and dynamic design method of caisson breakwaters

    Institute of Scientific and Technical Information of China (English)

    WANG; Yuanzhan; HUA; Leina; DONG; Shaowei

    2004-01-01

    Vibrating, sliding and uplift rocking are three elementary motion types of caisson breakwaters. The dynamic model and the numerical simulation method of vibrating-sliding-uplift rocking coupled motion of caisson breakwaters are developed. The histories of displacement, rotation, sliding force and overturning moment of a caisson breakwater under the excitation of breaking wave impact are calculated for the motion models of vibrating, vibrating-sliding, vibrating-uplift rocking and vibrating-sliding-uplift rocking. The effects of various motion models on the stability of caisson breakwaters are investigated. The feasibility of the dynamic design idea that the sliding motion and the uplift rocking motion of caisson breakwaters are allowed under the excitation of breaking wave impact is discussed.

  10. Quantum process tomography quantifies coherence transfer dynamics in vibrational exciton.

    Science.gov (United States)

    Chuntonov, Lev; Ma, Jianqiang

    2013-10-31

    Quantum coherence has been a subject of great interest in many scientific disciplines. However, detailed characterization of the quantum coherence in molecular systems, especially its transfer and relaxation mechanisms, still remains a major challenge. The difficulties arise in part because the spectroscopic signatures of the coherence transfer are typically overwhelmed by other excitation-relaxation processes. We use quantum process tomography (QPT) via two-dimensional infrared spectroscopy to quantify the rate of the elusive coherence transfer between two vibrational exciton states. QPT retrieves the dynamics of the dissipative quantum system directly from the experimental observables. It thus serves as an experimental alternative to theoretical models of the system-bath interaction and can be used to validate these theories. Our results for coupled carbonyl groups of a diketone molecule in chloroform, used as a benchmark system, reveal the nonsecular nature of the interaction between the exciton and the Markovian bath and open the door for the systematic studies of the dissipative quantum systems dynamics in detail.

  11. Development of a semi-active dynamic vibration absorber for longitudinal vibration of propulsion shaft system based on magnetorheological elastomer

    Science.gov (United States)

    Liu, Gaoyu; Lu, Kun; Zou, Donglin; Xie, Zhongliang; Rao, Zhushi; Ta, Na

    2017-07-01

    The control of the longitudinal pulsating force and the vibration generated is very important to improve the stealth performance of a submarine. Magnetorheological elastomer (MRE) is a kind of intelligent composite material, whose mechanical properties can be continuously, rapidly and reversibly controlled by an external magnetic field. It can be used as variable-stiffness components in the design of a semi-active dynamic vibration absorber (SDVA), which is one of the effective means of longitudinal vibration control. In this paper, an SDVA is designed based on the MRE’s magnetic-induced variable stiffness characteristic. Firstly, a mechanical model of the propulsion shaft system with the SDVA is proposed, theoretically discussed and numerically validated. Then, the mechanical performance of the MRE under different magnetic fields is tested. In addition, the magnetic circuit and the overall structure of the SDVA are designed. Furthermore, electromagnetic and thermodynamic simulations are carried out to guarantee the structural design. The frequency shift property of the SDVA is found through dynamic simulations and validated by a frequency shift experiment. Lastly, the vibration absorption capacity of the SDVA is investigated. The results show that the magnetorheological effect of the MRE and the frequency shift of the SDVA are obvious; the SDVA has relatively acceptable vibration absorption capacity.

  12. DYNAMIC RESPONSE OF SHAPE MEMORY ALLOY SYSTEM AND ITS VIBRATION CONTROL

    Institute of Scientific and Technical Information of China (English)

    Wei Zhi; Sun Dongchang; Tan Runhua

    2000-01-01

    A hysteric model is represented to describe the dependence of restoring force on deformation of pseudoelastic SMA.The dynamic response of the system is investigated by means of mathematical models.The result shows that this kind of vibration absorbing system can suppress vibration with large amplitude effectively.Furthermore,the vibration absorbing system can work in optimum state by adjusting temperature and using piezoelectric sensors and actuators.

  13. Developing a Dynamics and Vibrations Course for Civil Engineering Students Based on Fundamental-Principles

    Science.gov (United States)

    Barroso, Luciana R.; Morgan, James R.

    2012-01-01

    This paper describes the creation and evolution of an undergraduate dynamics and vibrations course for civil engineering students. Incorporating vibrations into the course allows students to see and study "real" civil engineering applications of the course content. This connection of academic principles to real life situations is in…

  14. Vibration control of ultrasonic cutting via dynamic absorber

    Energy Technology Data Exchange (ETDEWEB)

    Amer, Y.A. [Department of Mathematics, Faculty of Science, Zagazig University, Zagazig (Egypt)]. E-mail: yasser31270@yahoo.com

    2007-08-15

    Ultrasonic machining (USM) is one of the most effective non-conventional techniques. Its application especially to hard-to-machine material (HTM) is growing rapidly. The main operation condition of USM is at resonance where an exciter derives a tuned blade or a tool. In this paper, the coupling of two non-linear oscillators of the main system and absorber representing ultrasonic cutting process are investigated. This leads to a two-degree-of-freedom Duffing's oscillator in which such non-linear effects can be neutralized under certain dynamic conditions. The aim of this work is the control of the system behavior at principal parametric resonance condition where the system damage is probable. An approximate solution is derived up to the second order for the coupled system. A threshold value of linear damping has been obtained, where the system vibration can be reduced dramatically. The stability of the system is investigated applying both phase-plane and frequency response techniques. The effects of the different parameters of the absorber on system behavior are studied numerically. Comparison with the available published work is reported.

  15. A piezoelectric six-DOF vibration energy harvester based on parallel mechanism: dynamic modeling, simulation, and experiment

    Science.gov (United States)

    Yuan, G.; Wang, D. H.

    2017-03-01

    Multi-directional and multi-degree-of-freedom (multi-DOF) vibration energy harvesting are attracting more and more research interest in recent years. In this paper, the principle of a piezoelectric six-DOF vibration energy harvester based on parallel mechanism is proposed to convert the energy of the six-DOF vibration to single-DOF vibrations of the limbs on the energy harvester and output voltages. The dynamic model of the piezoelectric six-DOF vibration energy harvester is established to estimate the vibrations of the limbs. On this basis, a Stewart-type piezoelectric six-DOF vibration energy harvester is developed and explored. In order to validate the established dynamic model and the analysis results, the simulation model of the Stewart-type piezoelectric six-DOF vibration energy harvester is built and tested with different vibration excitations by SimMechanics, and some preliminary experiments are carried out. The results show that the vibration of the limbs on the piezoelectric six-DOF vibration energy harvester can be estimated by the established dynamic model. The developed Stewart-type piezoelectric six-DOF vibration energy harvester can harvest the energy of multi-directional linear vibration and multi-axis rotating vibration with resonance frequencies of 17 Hz, 25 Hz, and 47 Hz. Moreover, the resonance frequencies of the developed piezoelectric six-DOF vibration energy harvester are not affected by the direction changing of the vibration excitation.

  16. Computational Fluid Dynamic Analysis of a Vibrating Turbine Blade

    Directory of Open Access Journals (Sweden)

    Osama N. Alshroof

    2012-01-01

    Full Text Available This study presents the numerical fluid-structure interaction (FSI modelling of a vibrating turbine blade using the commercial software ANSYS-12.1. The study has two major aims: (i discussion of the current state of the art of modelling FSI in gas turbine engines and (ii development of a “tuned” one-way FSI model of a vibrating turbine blade to investigate the correlation between the pressure at the turbine casing surface and the vibrating blade motion. Firstly, the feasibility of the complete FSI coupled two-way, three-dimensional modelling of a turbine blade undergoing vibration using current commercial software is discussed. Various modelling simplifications, which reduce the full coupling between the fluid and structural domains, are then presented. The one-way FSI model of the vibrating turbine blade is introduced, which has the computational efficiency of a moving boundary CFD model. This one-way FSI model includes the corrected motion of the vibrating turbine blade under given engine flow conditions. This one-way FSI model is used to interrogate the pressure around a vibrating gas turbine blade. The results obtained show that the pressure distribution at the casing surface does not differ significantly, in its general form, from the pressure at the vibrating rotor blade tip.

  17. Analysis of Dynamic Stiffness Effect of Primary Suspension Helical Springs on Railway Vehicle Vibration

    Science.gov (United States)

    Sun, W.; Thompson, D. J.; Zhou, J.; Gong, D.

    2016-09-01

    Helical springs within the primary suspension are critical components for isolating the whole vehicle system from vibration generated at the wheel/rail contact. As train speeds increase, the frequency region of excitation becomes larger, and a simplified static stiffness can no longer represent the real stiffness property in a vehicle dynamic model. Coil springs in particular exhibit strong internal resonances, which lead to high vibration amplitudes within the spring itself as well as degradation of the vibration isolation. In this paper, the dynamic stiffness matrix method is used to determine the dynamic stiffness of a helical spring from a vehicle primary suspension. Results are confirmed with a finite element analysis. Then the spring dynamic stiffness is included within a vehicle-track coupled dynamic model of a high speed train and the effect of the dynamic stiffening of the spring on the vehicle vibration is investigated. It is shown that, for frequencies above about 50 Hz, the dynamic stiffness of the helical spring changes sharply. Due to this effect, the vibration transmissibility increases considerably which results in poor vibration isolation of the primary suspension. Introducing a rubber layer in series with the coil spring can attenuate this effect.

  18. Nonlinear dynamic behavior of rubbing rotor under interaction between bending and torsional vibrations

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The nonlinear dynamic behavior of a rubbing rotor system was studied with a mathematical model established with the eccentricity and interaction between bending and torsional vibrations taken into consideration.The nonlinear vibrational response of a rubbing rotor was analyzed using numerical integral,spectroscopic analysis and Poince mapping method,which made it possible to have better understanding of the vibrational characteristics of partial rubbing and complete circular rubbing rotors.The numerical results reveal the response of torsional vibration mainly takes a form of suporchronous motion,and its frequency decreases as the rotational speed increases when partial rubbing occurs,and the response of torsional vibration is synchronous when complete circular rubbing occurs.The comparison of the dynamics of rubbing rotors with and without the interaction between bending and torsional vibrations shows the interaction between bending and torsional vibrations advances the rotational speed,at which the response of bending vibration changes from a synchronous motion into a quasi-periodic motion,and the interaction between bending and torsional vibrations reduces stability of the rubbing rotor.

  19. [Dynamics of morphofunctional state of central nervous system in white rates exposed to vibration].

    Science.gov (United States)

    Pankov, V A; Katamanova, E V; Kuleshova, M V; Titov, E A; Kartapol'tseva, N V; Iakimova, N L; Lizarev, A V

    2014-01-01

    The authors presented results of experimental studies assessing influence of vibration on white rats. Dynamics of morphologic changes development in brain of experimental animals exposed to vibration were shown. Exposure to vibration in white rats daily during 4 hours over 15 days causes astrogliosis--compensation process in response to brain injury; over 1 month--causes morphologic brain changes (vacuoles formation in neuropile, decrease in astroglia cells number); over 2 months--causes lower plasticity of brain neurons, preserved astrogliosis; over 4 months--causes perivascular edema. Changes in brain bioelectric activity indicate stages of pathologic process in central nervous system. Increase in vibration exposure duration leads to more severe diffuse pathologic changes in brain and local cortical and diencephalic disorders. Exposure to vibration in white rats causes increase in general mobility, nonspecific activation of behaviour, intense emotional exertion, negative emotional state, but less severe effects of vibration were seen in orientative-trying reactions that are inborn, inherited forms of behaviour.

  20. The characteristic of power flow in broad band dynamic vibration absorber

    Institute of Scientific and Technical Information of China (English)

    WANG Minqing; SHENG Meiping; SUN Jincai; LIU Yi

    2002-01-01

    DVA (dynamic vibration absorber) is good for restrain of the resonance vibration in low frequency, especially under the condition that there are only one mode or two modes in a frequency band. It seems rather difficult to control the resonance vibration of elastic structures in high frequency, since usually there are so many modes in high frequency band. The broad band DVA is brought forward to reduce the resonance vibration of elastic structures. The broad band DVA is designed on the basis of the characteristic of power flow in structure in this paper.The broad band DVA is effective on absorbing the resonance vibration power flow of the mostimportant modes. The ability of absorbing vibration for the broad band DVA is analyzed indetail. The results obtained in this paper provide a basis for the optimization design of thebroad band DVA and the optimization positions on structures.

  1. Dynamic modeling and analysis of axial vibration of a coupled propeller and shaft system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chenyang; Huang, Xiuchang; Hua, Hongxing [Shanghai Jiao Tong University, Shanghai (China)

    2016-07-15

    The dynamic and acoustic characteristics of a coupled propeller and shaft system which is modeled by the transfer matrix method are studied. The elasticity of the propeller is taken into consideration by employing the equivalent reduced modeling method. Thus the influence of the elastic propeller on the vibro-acoustic responses of the coupled system is investigated. To reduce the axial vibration of the coupled propeller-shaft system, the influence and location of the vibration isolator on the structural and acoustic responses is presented. Simulation results demonstrate that utilizing the relationship between the natural frequency of the propeller and the resonance frequency range of the shaft can control the vibration of the coupled system without other vibration control method. Utilizing a vibration isolator is another effective way to control vibration. The optimal position for the isolator installed between the shaft and the thrust bearing is investigated.

  2. Reinterpretation of Dynamic Vibrational Spectroscopy to Determine the Molecular Structure and Dynamics of Ferrocene.

    Science.gov (United States)

    Best, Stephen P; Wang, Feng; Islam, M Tauhidul; Islam, Shawkat; Appadoo, Dominique; Trevorah, Ryan M; Chantler, Christopher T

    2016-12-12

    Molecular distortion of dynamic molecules gives a clear signature in the vibrational spectra, which can be modeled to give estimates of the energy barrier and the sensitivity of the frequencies of the vibrational modes to the reaction coordinate. The reaction coordinate method (RCM) utilizes ab initio-calculated spectra of the molecule in its ground and transition states together with their relative energies to predict the temperature dependence of the vibrational spectra. DFT-calculated spectra of the eclipsed (D5h ) and staggered (D5d ) forms of ferrocene (Fc), and its deuterated analogue, within RCM explain the IR spectra of Fc in gas (350 K), solution (300 K), solid solution (7-300 K), and solid (7-300 K) states. In each case the D5h rotamer is lowest in energy but with the barrier to interconversion between rotamers higher for solution-phase samples (ca. 6 kJ mol(-1) ) than for the gas-phase species (1-3 kJ mol(-1) ). The generality of the approach is demonstrated with application to tricarbonyl(η(4) -norbornadiene)iron(0), Fe(NBD)(CO)3 . The temperature-dependent coalescence of the ν(CO) bands of Fe(NBD)(CO)3 is well explained by the RCM without recourse to NMR-like rapid exchange. The RCM establishes a clear link between the calculated ground and transition states of dynamic molecules and the temperature-dependence of their vibrational spectra. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Dynamic Performance on Multi Storey Structure Due to Ground Borne Vibrations Input from Passing Vehicles

    Directory of Open Access Journals (Sweden)

    Tuan Norhayati Tuan Chik

    2013-12-01

    Full Text Available Ground borne vibration from passing vehicles could excite the adjacent ground, hence produces a vibration waves that will propagate through layers of soil towards the foundations of any adjacent building. This vibration could affects the structure of the building at some levels and even the low sensitivity equipment are also could be affected as well. The objectives of this study are to perform the structural response on multi storey building subjected to ground vibrations input and to determine the level of vibration at each floor from road traffic on the observed building. The scopes of the study are focused on the groundborne vibrations induced by the passing vehicles and analyse the data by using dynamic software such as ANSYSv14 and MATLAB. The selected building for this study is the Registrar Office building which is located in Universiti Tun Hussein Onn Malaysia (UTHM. The inputs of the vibration were measured by using Laser Doppler Vibrometer (LDV equipment. By conducting the field measurement, a real input of ground borne vibration from the loads of vehicle towards any adjacent building can be obtained. Finally, the vibration level from road traffic on office building can be determined using overseas generic criteria guidelines. The vibration level achieved for this building is at above the ISO level, which is suitable for office building and within acceptable limit.

  4. FPGA-Based Fused Smart Sensor for Dynamic and Vibration Parameter Extraction in Industrial Robot Links

    OpenAIRE

    Rene de Jesus Romero-Troncoso; Gilberto Herrera-Ruiz; Roque Alfredo Osornio-Rios; Luis Morales-Velazquez; Carlos Rodriguez-Donate

    2010-01-01

    Intelligent robotics demands the integration of smart sensors that allow the controller to efficiently measure physical quantities. Industrial manipulator robots require a constant monitoring of several parameters such as motion dynamics, inclination, and vibration. This work presents a novel smart sensor to estimate motion dynamics, inclination, and vibration parameters on industrial manipulator robot links based on two primary sensors: an encoder and a triaxial accelerometer. The proposed s...

  5. Vibrational dynamics of the bifluoride ion. II. Adiabatic separation and proton dynamics

    Science.gov (United States)

    Epa, V. C.; Thorson, W. R.

    1990-01-01

    Vibrational dynamics of the bifluoride ion FHF-, which exhibits strongly anharmonic and nonseparable vibrations, is studied using the extended ab initio model potential surface described in the first paper of this series. Adiabatic separation of the proton motion from the F-F (ν1) motion forms a zero-order basis for description, although strong coupling of adiabatic states by the ν1 motion is important in higher vibrational levels and must be considered to understand the spectrum. The adiabatic protonic eigenstates at F-F separations R from 3.75 to 6.40 a.u. have been determined using the self-consistent field approximation in prolate spheroidal coordinates to provide a basis set for configuration interaction expansion of the exact eigenstates. 78 SCF eigenstates (21 σg, 21 σu, 21 πu, and 15 πg) were computed by ``exact'' numerical solution of the SCF equations. The adiabatic CI eigenstates are shown to be converged in energy to better than 1.0 cm-1 for the ground state of each symmetry type and usually better than 10 cm-1 for the lowest three to five states, and pass critical tests of accuracy such as the Hellmann-Feynman theorem. The resulting CI potential energy curves closely resemble corresponding SCF energy curves and justify the concept of mode separation even in this very anharmonic system. The adiabatic CI potential energy curves explain most aspects of the dynamics relevant to the IR and Raman spectra of FHF- (e.g., in KHF2), and calculations of ν1 dynamics within the adiabatic approximation suffice to assign most of the observed IR spectrum of KHF2(s) (to about 6000 cm-1). States corresponding qualitatively to modal overtone and combination levels such as 3ν2 and (ν2+2ν3) however exhibit avoided crossings in the neighborhood of the equilibrium configuration and ``Fermi resonance'' involving interactions of two or more such adiabatic states via the ν1 motion must be treated by close-coupling to predict both frequencies and intensities in the

  6. The Shock and Vibration Bulletin. Part 2. Measurement Techniques and Data Analysis, Dynamic Measurements, Vibration and Acoustics

    Science.gov (United States)

    1980-09-01

    DAMPING M. M. Wallace and C. W. Bert, The University of Oklahoma, Norman, OK CONTRIBUTIONS TO THE DYNAMIC ANALYSIS OF MAGLEV VEHICLES ON ELEVATED GUIDEWAYS...state transmitted and/oT reflected sound pressure for a coated, submerged flat plate, subject to a train of normally incident harmonic waves...simply make the length of the train of waves as long as you please. It is in 3i07 Main, I, G , Vibrations and Waves in the low frequency problems

  7. Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance: the dynamical potential approach

    Science.gov (United States)

    Fang, Chao; Wu, Guo-Zhen

    2010-01-01

    The vibrational dynamics of HOCl and HOBr between bending and OCl/OBr stretching coordinates with anharmonicity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dynamics is mostly mapped out by the classical nonlinear variables such as fixed points, except for the state energies, which are quantized. This approach is global in the sense that the focus is on a set of levels instead of individual ones. The dynamics of HOBr is demonstrated to be less complicated. The localized modes along the OCl/OBr stretching coordinates are also shown to have O-Br bonds more prone to dissociation.

  8. CHECKING OF TECHNICAL BRIDGES’ STATE BY PASSIVE VIBRATIONAL DYNAMICS METHODS

    Directory of Open Access Journals (Sweden)

    V. P. Redchenko

    2010-03-01

    Full Text Available In the article the results of studies of the passive vibration test methods and the possibilities of using them for determining and monitoring of technical condition of bridges are presented.

  9. Dynamical potential approach to dissociation of H-C bond in HCO highly excited vibration

    Institute of Scientific and Technical Information of China (English)

    Fang Chao; Wu Guo-Zhen

    2009-01-01

    The highly excited vibrational levels of HCO in the electronic ground state, X1A', are employed to determine the coefficients of an algebraic Hamiltonian, by which the dynamical potential is derived and shown to be very useful for interpreting thc intramolecular vibrational relaxation (IVR) which operates via the HCO bending motion. The IVR inhibits the dissociation of H atom and enhances the stochastic degree of dynamical character. This approach is from a global viewpoint on a series of levels classified by the polyad number which is a constant of motion in a certain dynamical domain. In this way, the seemingly complicated level structure shows very regular picture, dynamically.

  10. LOCALISED MUSCLE TISSUE OXYGENATION DURING DYNAMIC EXERCISE WITH WHOLE BODY VIBRATION

    Directory of Open Access Journals (Sweden)

    Daniel Robbins

    2012-06-01

    Full Text Available Despite increasing use of whole body vibration during exercise an understanding of the exact role of vibration and the supporting physiological mechanisms is still limited. An important aspect of exercise analysis is the utilisation of oxygen, however, there have been limited studies considering tissue oxygenation parameters, particularly during dynamic whole body vibration (WBV exercise. The aim of this study was to determine the effect of adding WBV during heel raise exercises and assessing changes in tissue oxygenation parameters of the lateral gastrocnemius using Near Infra Red Spectroscopy (NIRS. Twenty healthy subjects completed ten alternating sets of 15 heel raises (vibration vs. no vibration. Synchronous oxygenation and motion data were captured prior to exercise to determine baseline levels, for the duration of the exercise and 20 sec post exercise for the recovery period. Both vibration and no vibration conditions elicited a characteristic increase in deoxyhaemoglobin and decreases in oxyhaemoglobin, total haemoglobin, tissue oxygenation index and normalised tissue haemoglobin index which are indicative of local tissue hypoxia. However, the addition of vibration elicited significantly lower (p < 0. 001 depletions in oxyhaemoglobin, total haemoglobin, normalised tissue haemoglobin index but no significant differences in deoxyhaemoglobin. These findings suggest that addition of vibration to exercise does not increase the cost of the exercise for the lateral gastrocnemius muscle, but does decrease the reduction in local muscle oxygenation parameters, potentially resulting from increased blood flow to the calf or a vasospastic response in the feet. However, further studies are needed to establish the mechanisms underlying these findings

  11. Fluid patterns and dynamics induced by vibrations in microgravity conditions

    Science.gov (United States)

    Porter, Jeff; Tinao Perez-Miravete, Ignacio; Laverón-Simavilla, Ana

    Understanding the effects of vibrations is extremely important in microgravity environments where residual acceleration, or g-jitter, is easily generated by crew manoeuvring or machinery, and can have a significant impact on material processing systems and on-board experiments. Indeed, vibrations can dramatically affect fluid behaviour whether gravity is present or not, inducing instability in some cases while suppressing it in others. We will describe the results of investigations being conducted at the ESA affiliated Spanish User Support and Operations Centre (E-USOC) on the effect of vibrations on fluids interfaces, most notably with the forcing oriented parallel to the fluid surface. Pattern formation properties will be described in detail, and the importance of symmetry constraints and mean flows will be considered. Current exper-imental results are intriguing and have challenged existing assumptions in the field, particularly with regard to the parametric instability underlying subharmonic cross-waves. They suggest an intimate connection between Faraday waves, which are observed in vertically vibrated systems, and cross-waves, which are found in horizontally forced systems. Concurrent theoretical work, based on the analysis of reduced models, and on numerical simulations, will then be described. Finally, this research will be placed in a microgravity context and used to motivate the defini-tion of a proposed set of experiments on the International Space Station (ISS). The experiments would be in the large-aspect-ratio-limit, requiring relatively high frequency but low amplitude vibrations, where comparatively little microgravity research has been done. The interest of such a microgravity experiment will be discussed, with emphasis on fluid management and the potential of vibrations to act as a kind of artificial gravity by orienting surfaces (or density contours) perpendicular to the axis of vibration.

  12. THE DESIGN AND ANALYSIS OF VIBRATION STRUCTURE OF VERTICAL DYNAMIC BALANCING MACHINE

    Institute of Scientific and Technical Information of China (English)

    LiDinggen; CaoJiguang; WangJtmwen; ChenChuanyao

    2004-01-01

    A new type of vibration structure (i.e. supporting system, called swing frame customarily) of vertical dynamic balancing machine has been designed, which is based on an analysis for the swing frame of a traditional double-plane vertical dynamic balancing machine. The static unbalance and couple unbalance can be effectively separated by using the new dynamic balancing machine with the new swing frame. By building the dynamics model, the advantages of the new structure are discussed in detail. The modal and harmonic response are analyzed by using the ANSYS7.0. By comparing the finite element modal analysis with the experimental modal analysis, the natural frequencies and vibration modes are found. There are many spring boards in the new swing frame. Their stiffnesses are different and assorted with each other. Furthermore, there are three sensors on the measuring points. Therefore, the new dynamic balancing machine can measure static unbalance and coupling unbalance directly, and the interaction between them is faint. The result shows that the new vertical dynamic balancing machine is suitable for inertial measurement of flying objects, and can overcome the shortcomings of traditional double-plane vertical dynamic balancing machines, which the effect of plane-separation is inferior. The vertical dynamic balancing machine with the new vibration structure can find wide application in the future. The modelling and analysis of the new vibration structure will provide theoretical basis and practical experience for designing new-type vertical dynamic balancing machines.

  13. Dynamic Analysis and Vibration Attenuation of Cable-Driven Parallel Manipulators for Large Workspace Applications

    Directory of Open Access Journals (Sweden)

    Jingli Du

    2013-01-01

    Full Text Available Cable-driven parallel manipulators are one of the best solutions to achieving large workspace since flexible cables can be easily stored on reels. However, due to the negligible flexural stiffness of cables, long cables will unavoidably vibrate during operation for large workspace applications. In this paper a finite element model for cable-driven parallel manipulators is proposed to mimic small amplitude vibration of cables around their desired position. Output feedback of the cable tension variation at the end of the end-effector is utilized to design the vibration attenuation controller which aims at attenuating the vibration of cables by slightly varying the cable length, thus decreasing its effect on the end-effector. When cable vibration is attenuated, motion controller could be designed for implementing precise large motion to track given trajectories. A numerical example is presented to demonstrate the dynamic model and the control algorithm.

  14. Vibration Modes and the Dynamic Behaviour of a Hydraulic Plunger Pump

    Directory of Open Access Journals (Sweden)

    Tianxiao Zhang

    2016-01-01

    Full Text Available Mechanical vibrations and flow fluctuation give rise to complex interactive vibration mechanisms in hydraulic pumps. The working conditions for a hydraulic pump are therefore required to be improved in the design stage or as early as possible. Considering the structural features, parameters, and operating environment of a hydraulic plunger pump, the vibration modes for two-degree-of-freedom system were established by using vibration theory and hydraulic technology. Afterwards, the analytical form of the natural frequency and the numerical solution of the steady-state response were deduced for a hydraulic plunger pump. Then, a method for the vibration analysis of a hydraulic pump was proposed. Finally, the dynamic responses of a hydraulic plunger pump are obtained through numerical simulation.

  15. Nonlinear Dynamical Analysis on Four Semi-Active Dynamic Vibration Absorbers with Time Delay

    Directory of Open Access Journals (Sweden)

    Yongjun Shen

    2013-01-01

    Full Text Available In this paper four semi-active dynamic vibration absorbers (DVAs are analytically studied, where the time delay induced by measurement and execution in control procedure is included in the system. The first-order approximate analytical solutions of the four semi-active DVAs are established by the averaging method, based on the illustrated phase difference of the motion parameters. The comparisons between the analytical and the numerical solutions are carried out, which verify the correctness and satisfactory precision of the approximate analytical solutions. Then the effects of the time delay on the dynamical responses are analyzed, and it is found that the stability conditions for the steady-state responses of the primary systems are all periodic functions of time delay, with the same period as the excitation one. At last the effects of time delay on control performance are discussed.

  16. Robust Optimal Design of a Nonlinear Dynamic Vibration Absorber Combining Sensitivity Analysis

    Directory of Open Access Journals (Sweden)

    R.A. Borges

    2010-01-01

    Full Text Available Dynamic vibration absorbers are discrete devices developed in the beginning of the last century used to attenuate the vibrations of different engineering structures. They have been used in several engineering applications, such as ships, power lines, aeronautic structures, civil engineering constructions subjected to seismic induced excitations, compressor systems, etc. However, in the context of nonlinear dynamics, few works have been proposed regarding the robust optimal design of nonlinear dynamic vibration absorbers. In this paper, a robust optimization strategy combined with sensitivity analysis of systems incorporating nonlinear dynamic vibration absorbers is proposed. Although sensitivity analysis is a well known numerical technique, the main contribution intended for this study is its extension to nonlinear systems. Due to the numerical procedure used to solve the nonlinear equations, the sensitivities addressed herein are computed from the first-order finite-difference approximations. With the aim of increasing the efficiency of the nonlinear dynamic absorber into a frequency band of interest, and to augment the robustness of the optimal design, a robust optimization strategy combined with the previous sensitivities is addressed. After presenting the underlying theoretical foundations, the proposed robust design methodology is performed for a two degree-of-freedom system incorporating a nonlinear dynamic vibration absorber. Based on the obtained results, the usefulness of the proposed methodology is highlighted.

  17. Dynamic Characteristics Analysis of the Coupled Lateral-Torsional Vibration with Spur Gear System

    OpenAIRE

    Shihua Zhou; Zhaohui Ren; Guiqiu Song; Bangchun Wen

    2015-01-01

    A sixteen-degree-of-freedom (16-DOF) lumped parameter dynamic model taking into account the gravity, eccentricity, bearing clearance, transmission error, and coupled lateral-torsional vibration is established. Based on the dynamical equation, the dynamic behaviors of the spur gear rotor bearing system are investigated by using Runge-Kutta method. The research focuses on the effect of rotational speed, eccentricity, and bearing clearance and nonlinear response of the coupled multibody dynamics...

  18. Langevin model of the temperature and hydration dependence of protein vibrational dynamics.

    Science.gov (United States)

    Moritsugu, Kei; Smith, Jeremy C

    2005-06-23

    The modification of internal vibrational modes in a protein due to intraprotein anharmonicity and solvation effects is determined by performing molecular dynamics (MD) simulations of myoglobin, analyzing them using a Langevin model of the vibrational dynamics and comparing the Langevin results to a harmonic, normal mode model of the protein in vacuum. The diagonal and off-diagonal Langevin friction matrix elements, which model the roughness of the vibrational potential energy surfaces, are determined together with the vibrational potentials of mean force from the MD trajectories at 120 K and 300 K in vacuum and in solution. The frictional properties are found to be describable using simple phenomenological functions of the mode frequency, the accessible surface area, and the intraprotein interaction (the displacement vector overlap of any given mode with the other modes in the protein). The frictional damping of a vibrational mode in vacuum is found to be directly proportional to the intraprotein interaction of the mode, whereas in solution, the friction is proportional to the accessible surface area of the mode. In vacuum, the MD frequencies are lower than those of the normal modes, indicating intramolecular anharmonic broadening of the associated potential energy surfaces. Solvation has the opposite effect, increasing the large-amplitude vibrational frequencies relative to in vacuum and thus vibrationally confining the protein atoms. Frictional damping of the low-frequency modes is highly frequency dependent. In contrast to the damping effect of the solvent, the vibrational frequency increase due to solvation is relatively temperature independent, indicating that it is primarily a structural effect. The MD-derived vibrational dynamic structure factor and density of states are well reproduced by a model in which the Langevin friction and potential of mean force parameters are applied to the harmonic normal modes.

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

    Science.gov (United States)

    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.

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

    DEFF Research Database (Denmark)

    Thomas, Esben Folger; Henriksen, Niels Engholm

    2016-01-01

    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 well 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...

  1. DYNAMIC CONTACT STIFFNESS OF VIBRATING RIGID SPHERE CONTACTING SEMI-INFINITE TRANSVERSELY ISOTROPIC VISCOELASTIC SOLID

    Institute of Scientific and Technical Information of China (English)

    Jiayong Tian; Zhoumin Xie

    2008-01-01

    Dynamic contact stiffness at the interface between a vibrating rigid sphere and a semi-infinite transversely isotropic viscoelastic solid is investigated. An oscillating force superimposed onto a static compressive force in the vertical direction excites the vibration of a rigid sphere, which causes variable contact radius and contact pressure distribution in the contact region. The assumption of a sufficiently small oscillating force yields a dynamic contact-pressure distribution of a constant contact radius, which gives dynamic contact stiffness at the interface between the rigid sphere and the semi-infinite solid. Numerical calculations show the influence of vibration frequency of the sphere, and elastic constants of the transversely isotropic solid on dynamic contact stiffness, which benefits quantitative evaluation of elastic constants and orientation of single hexagonal grains by resonance-frequency shifts of the oscillator in resonance ultrasound microscopy.

  2. Dynamics Behavior Research on Variable Linear Vibration Screen with Flexible Screen Face

    Directory of Open Access Journals (Sweden)

    Changlong Du

    2014-08-01

    Full Text Available In order to enable the variable linear vibration screen with ideal movement behavior of screen surface and efficient screening capacity, five-freedom dynamic model and stability equations of the variable linear vibration screen were established based on power balance method and Hamilton principle. The motion behaviour of screen face was investigated, and − 0.10 m ≤ xf ≤ − 0.04 m was confirmed as the best range of exciting position. With analysis of stability equations, the stable requirement of vibration screen was obtained: the direction angle of exciting force should be 0 ≤ θ ≤ 45°. Screening processes of variable linear vibration screen with flexible screen face, variable linear vibration screen with fixed screen face and linear vibration screen were investigated and compared by numerical simulation method, the results show that variable linear vibration screen with flexible screen face have such characteristics as higher intensity of projection and efficient screening. The correctness of theoretical research and simulation research were verified through experiment, and all of the work would provide some guidance for designing and studying variable linear vibration screen with flexible screen face.

  3. Effect of dynamic visco-elasticity on vertical and torsional vibrations of a half-space

    Indian Academy of Sciences (India)

    Prakash Chandra Pal

    2001-08-01

    By expressing the dynamic visco-elastic characteristic of a material in terms of the complex shear modulus, the vertical vibrations of a visco-elastic half-space as well as that of a mass in visco-elastic half-space are considered here. Torsional vibrations of a visco-elastic half-space is also considered. Numerical results are derived for two cases and shown graphically.

  4. Dynamics Behavior Research on Variable Linear Vibration Screen with Flexible Screen Face

    OpenAIRE

    Changlong Du; Kuidong Gao; Jianping Li; Hao Jiang

    2014-01-01

    In order to enable the variable linear vibration screen with ideal movement behavior of screen surface and efficient screening capacity, five-freedom dynamic model and stability equations of the variable linear vibration screen were established based on power balance method and Hamilton principle. The motion behaviour of screen face was investigated, and − 0.10 m ≤ xf ≤ − 0.04 m was confirmed as the best range of exciting position. With analysis of stability equations, the stable requirement ...

  5. 3-D finite element computation and dynamic modal analysis on ultrasonic vibration systems

    Institute of Scientific and Technical Information of China (English)

    倪金刚; 张学仁; 聂景旭(Department of Jet Propulsion 405; Beijing University of Aeronautics and Astronautics; Beijing 100083; China)

    1996-01-01

    Stress and modal analyses are performed on an ultrasonic vibration system by means of a 3-dimensional finite element computation and dynamic modal analysis code "Algor" The system consists of an edge-cracked specimen linked elastically with one or two amplifying horns which come into resonant longitudinal vibration at 20kHz.Operating principle of the ultrasonic fatigue machines and experimental procedures for ultrasonic fatigue crack growth studies are briefly presented.

  6. Dynamic behavior of gas bubble in single bubble sonoluminescence - vibrator model

    Institute of Scientific and Technical Information of China (English)

    QIAN Menglu; CHENG Qian; GE Caoyan

    2002-01-01

    Single bubble sonoluminescence is a process of energy transformation from soundto light. Therefore the motion equations of near spherical vibration of a gas bubble in anincompressible and viscous liquid can be deduced by Lagrangian Equation with dissipationfunction when the bubble is considered as a vibrator surrounded by liquid. The analyticalsolutions in the bubble expanding, collapsing and rebounding stages can be obtained by solvingthese motion equations when some approximations are adopted. And the dynamic behaviorsof the bubble in these three stages are discussed.

  7. The ABRAVIBE toolbox for teaching vibration analysis and structural dynamics

    DEFF Research Database (Denmark)

    Brandt, A.

    2013-01-01

    , a MATLAB toolbox (the ABRAVIBE toolbox) has been developed as an accompanying toolbox for the recent book "Noise and Vibration Analysis" by the author. This free, open software, published under GNU Public License, can be used with GNU Octave, if an entirely free software platform is wanted, with a few...

  8. Nonlinear dynamic modeling and resonance tuning of Galfenol vibration absorbers

    Science.gov (United States)

    Scheidler, Justin J.; Dapino, Marcelo J.

    2013-08-01

    This paper investigates the semi-active control of a magnetically-tunable vibration absorber’s resonance frequency. The vibration absorber that is considered is a metal-matrix composite containing the magnetostrictive material Galfenol (FeGa). A single degree of freedom model for the nonlinear vibration of the absorber is presented. The model is valid under arbitrary stress and magnetic field, and incorporates the variation in Galfenol’s elastic modulus throughout the composite as well as Galfenol’s asymmetric tension-compression behavior. Two boundary conditions—cantilevered and clamped-clamped—are imposed on the composite. The frequency response of the absorber to harmonic base excitation is calculated as a function of the operating conditions to determine the composite’s capacity for resonance tuning. The results show that nearly uniform controllability of the vibration absorber’s resonance frequency is possible below a threshold of the input power amplitude using weak magnetic fields of 0-8 kA m-1. Parametric studies are presented to characterize the effect on resonance tunability of Galfenol volume fraction and Galfenol location within the composite. The applicability of the results to composites of varying geometry and containing different Galfenol materials is discussed.

  9. Study on Dynamics of Polygonal Wear of Automotive Tire Caused by Self-Excited Vibration

    Directory of Open Access Journals (Sweden)

    Shuguang Zuo

    2014-01-01

    Full Text Available Considering the underlying reason of tire polygonal wear, a unified mechanical tire model is developed to analyze the different vibration properties between the driving wheel and follower wheel. And the LuGre dynamic friction model is applied to determine the frictional forces between the wheel with a slip angel and the road. Through the stability analysis with Lyapunov theory, it is found that tread self-excited vibration is periodic oscillation caused by Hopf bifurcation. The analysis of the lateral vibration of driving wheel shows that the tread vibration system loses its stability and self-excited vibration occurs when the wheel is rolling at a high speed, is over-loaded, is having a large toe-in angle, or is under a low tire pressure. On this basis, the dynamic behaviors of the driving and follower wheels are distinguished with different slip rates by the numerical simulation. Compared with the dynamic behaviors of the follower wheel under the same condition, the self-excited vibration occurs on the driving wheel with more limited parameter scope, lower oscillation energy, and lower occurrence, which explains why the polygonal wear is less likely to occur on the driving wheel.

  10. Dynamical systems analysis of electrostatic and aerodynamic forced vibrations of a thin flexible electrode

    Science.gov (United States)

    Madanu, Sushma Bala

    Transverse vibrations of an electrostatically actuated thin flexible cantilever perturbed by low-speed air flow is studied using both experiments and numerical modeling. In the experiments the dynamic characteristics of the cantilever are studied by supplying a DC voltage with an AC component for electrostatic forcing and a constant uniform air flow around the cantilever system for aerodynamic forcing. The maximum voltage applied varies from 1 - 9 kV and air flow speeds range from 0.224 - 3.58 m/s (0.5 - 8 mile/hr). The Reynolds numbers for these speeds lie in the range of 1000 - 20000. A range of control parameters leading to stable vibrations are established using the Strouhal number as the operating parameter whose inverse values change from 100 - 2500. The Numerical results are validated with experimental results. Assuming the amplitude of vibrations are small, then a non-linear dynamic Euler-Bernoulli beam equation with viscous damping and gravitational effects is used to model the vibrations of the dynamical system. Aerodynamic forcing is modeled as a temporally sinusoidal and uniform force acting perpendicular to the beam length. The forcing amplitude is found to be proportional to square of air flow velocity by obtaining relationship between the experimental amplitude of vibrations and air flow velocity. Numerical results strongly agree with those of experiments predicting accurate vibration amplitudes, displacement frequency and quasi-periodic displacements of the cantilever tip.

  11. Thermal vibration of a single-layered graphene with initial stress predicted by semiquantum molecular dynamics

    Science.gov (United States)

    Liu, Rumeng; Wang, Lifeng; Jiang, Jingnong

    2016-09-01

    Thermal vibration of a rectangular single-layered graphene sheet (RSLGS) with initial stress is investigated by a semiquantum molecular dynamics (SQMD) method on the basis of modified Langevin dynamics. The quantum effect in the thermal vibration of RSLGS is accounted by introducing a quantum thermal bath. The spectrum of the thermal vibration of RSLGSs is obtained both by SQMD and classical molecular dynamics (CMD). The RSLGS vibrates with the same frequencies via both the SQMD simulation and the CMD simulation. The root of mean squared (rms) amplitude obtained via the CMD is greater than that obtained via the SQMD. The energy in high order mode is frozen at very low temperature if quantum effect is taken into consideration. An elastic plate model with initial stress considering quantum effects is established to describe the thermal vibration of the RSLGS. The rms amplitude of RSLGS calculated by plate model with the law of energy equipartition and that obtained from the CMD coincide very well. The plate model considering the quantum effects provides accurate prediction of the rms amplitude of the RSLGS obtained from the SQMD. These results indicate that quantum effects cannot be neglected in the thermal vibration of the RSLGS at low temperature case.

  12. Research on dynamic creep strain and settlement prediction under the subway vibration loading.

    Science.gov (United States)

    Luo, Junhui; Miao, Linchang

    2016-01-01

    This research aims to explore the dynamic characteristics and settlement prediction of soft soil. Accordingly, the dynamic shear modulus formula considering the vibration frequency was utilized and the dynamic triaxial test conducted to verify the validity of the formula. Subsequently, the formula was applied to the dynamic creep strain function, with the factors influencing the improved dynamic creep strain curve of soft soil being analyzed. Meanwhile, the variation law of dynamic stress with sampling depth was obtained through the finite element simulation of subway foundation. Furthermore, the improved dynamic creep strain curve of soil layer was determined based on the dynamic stress. Thereafter, it could to estimate the long-term settlement under subway vibration loading by norms. The results revealed that the dynamic shear modulus formula is straightforward and practical in terms of its application to the vibration frequency. The values predicted using the improved dynamic creep strain formula closed to the experimental values, whilst the estimating settlement closed to the measured values obtained in the field test.

  13. Analysis of the hull girder vibration by dynamic stiffness matrix method

    Institute of Scientific and Technical Information of China (English)

    ZHOU Ping; ZHAO De-you

    2006-01-01

    Dynamic stiffness matrix method is applied to compute vibration of hull girder in this paper.This method can not only simplify the computational model, but also get much higher frequencies and responses accurately. The analytical expressions of dynamic stiffness matrix of a Timoshenko beam for transverse vibration are presented in this paper. All effects of rotatory inertia and shear deformation are taken into account in the formulation. The resulting dynamic stiffness matrix combined with the Wittrick-Williams algorithm is used to compute natural frequencies and mode shapes of the 299,500 DWT VLCC, and then the vibrational responses are solved by the mode superposition method. The computational results are compared with those obtained from other approximate methods and experiment,and it indicates that the method is accurate and efficient.

  14. Dynamics of vibrational chaos and entanglement in triatomic molecules: Lie algebraic model

    Institute of Scientific and Technical Information of China (English)

    Zhai Liang-Jun; Zheng Yu-Jun; Ding Shi-Liang

    2012-01-01

    In this paper,the dynamics of chaos and the entanglement in triatomic molecnlar vibrations are investigated.On the classical aspect,we study the chaotic trajectories in the phase space.We employ the linear entropy to examine the dynamical entanglement of the two bonds on the quantum aspect.The correspondence between the classical chaos and the quantum dynamical entanglement is also investigated.As an example,we apply our algebraic model to molecule H2O.

  15. Poly(3-methylpyrrole): Vibrational dynamics, phonon dispersion and heat capacity

    Science.gov (United States)

    Ali, Parvej; Srivastava, Seema; Ansari, Saif-ul-Islam; Gupta, V. D.

    2013-07-01

    Normal modes of vibration and their dispersions in poly(3-methylpyrrole) (P3MPy) based on the Urey-Bradley force field are reported. It provides a detailed interpretation of previously reported I.R. spectra. Characteristic features of dispersion curves, such as regions of high density-of-states, repulsion, and character mixing of dispersive modes are discussed. Predictive values of heat capacity as a function of temperature are calculated from dispersion curves via density-of-states.

  16. Controlled Dynamics of Interfaces in a Vibrated Granular Layer

    CERN Document Server

    Aranson, I S; Kwok, W; Karapetrov, G; Welp, U; Crabtree, G W; Vinokur, V M; Tsimring, L S

    1999-01-01

    We present experimental study of a topological excitation, {\\it interface}, in a vertically vibrated layer of granular material. We show that these interfaces, separating regions of granular material oscillation with opposite phases, can be shifted and controlled by a very small amount of an additional subharmonic signal, mixed with the harmonic driving signal. The speed and the direction of interface motion depends sensitively on the phase and the amplitude of the subharmonic driving.

  17. Thermal vibration of a single-walled carbon nanotube predicted by semiquantum molecular dynamics.

    Science.gov (United States)

    Liu, Rumeng; Wang, Lifeng

    2015-02-21

    Quantum effects should be considered in the thermal vibrations of carbon nanotubes (CNTs). To this end, molecular dynamics based on modified Langevin dynamics, which accounts for quantum statistics by introducing a quantum heat bath, is used to simulate the thermal vibration of a cantilevered single-walled CNT (SWCNT). A nonlocal elastic Timoshenko beam model with quantum effects (TBQN), which can take the effect of microstructure into consideration, has been established to explain the resulting power spectral density of the SWCNT. The root of mean squared (RMS) amplitude of the thermal vibration of the SWCNT obtained from semiquantum molecular dynamics (SQMD) is lower than that obtained from classical molecular dynamics, especially at very low temperature and high-order modes. The natural frequencies of the SWCNT obtained from the Timoshenko beam model are closer to those obtained from molecular dynamics if the nonlocal effect is taken into consideration. However, the nonlocal Timoshenko beam model with the law of energy equipartition (TBCN) can only predict the RMS amplitude of the SWCNT obtained from classical molecular dynamics without considering quantum effects. The RMS amplitude of the SWCNT obtained from SQMD and that obtained from TBQN coincide very well. These results indicate that quantum effects are important for the thermal vibration of the SWCNT in the case of high-order modes, short length and low temperature.

  18. Dynamic Characteristics Analysis of the Coupled Lateral-Torsional Vibration with Spur Gear System

    Directory of Open Access Journals (Sweden)

    Shihua Zhou

    2015-01-01

    Full Text Available A sixteen-degree-of-freedom (16-DOF lumped parameter dynamic model taking into account the gravity, eccentricity, bearing clearance, transmission error, and coupled lateral-torsional vibration is established. Based on the dynamical equation, the dynamic behaviors of the spur gear rotor bearing system are investigated by using Runge-Kutta method. The research focuses on the effect of rotational speed, eccentricity, and bearing clearance and nonlinear response of the coupled multibody dynamics is presented by vibration waveform, spectrum, and 3D frequency spectrum. The results show that the rotational frequency of the driven gear appears in the driving gear, and the dynamic characteristics of gears have obvious differences due to the effects of the gear assembly and the coupled lateral-torsional vibration. The bearing has its own resonance frequency, and the effect of the variable stiffness frequency of the bearings should be avoided during the system design. The results presented in this paper show an analysis of the coupled lateral-torsional vibration of the spur gear system. The study may contribute to a further understanding of the dynamic characteristics of such a spur gear rotor bearing system.

  19. Dynamics of Micropipette Vibration During Piezo-assisted Microinjection

    Science.gov (United States)

    Karzar-Jeddi, Mehdi; Olgac, Nejat; Fan, Tai-Hsi

    Microinjection is a well-accepted method to introduce materials such as sperm, DNA materials, or nucleus into a living cell for biomedical applications. The conventional microinjection procedure consists of immobilizing the cell by applying suction through a holding pipette, and then an injecting micropipette penetrates through the cell membrane and introduces the materials into the cell. To assist the penetration process a piezo-generated pulse train is applied to the injecting pipette, which causes an undesirable lateral vibration at the injecting pipette tip. In this research we provide an analytical model to study the response of micropipette to the piezo-pulse train using the Duhamel integral method. Our results show that filling the micropipette tip with mercury causes a larger amplitude stroke vibration in micropipette tip than that of empty micropipette when it is submerged in the viscous medium surrounding the cell. The mercury introduced larger stroke vibration can cause a larger shear force and assist the penetration of micropipette through the cell membrane. This work is supported by NSF CBET-0828733 and NIH R24RR018934-01.

  20. Modified relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons

    Science.gov (United States)

    Dunkelberger, A. D.; Spann, B. T.; Fears, K. P.; Simpkins, B. S.; Owrutsky, J. C.

    2016-11-01

    Coupling vibrational transitions to resonant optical modes creates vibrational polaritons shifted from the uncoupled molecular resonances and provides a convenient way to modify the energetics of molecular vibrations. This approach is a viable method to explore controlling chemical reactivity. In this work, we report pump-probe infrared spectroscopy of the cavity-coupled C-O stretching band of W(CO)6 and the direct measurement of the lifetime of a vibration-cavity polariton. The upper polariton relaxes 10 times more quickly than the uncoupled vibrational mode. Tuning the polariton energy changes the polariton transient spectra and relaxation times. We also observe quantum beats, so-called vacuum Rabi oscillations, between the upper and lower vibration-cavity polaritons. In addition to establishing that coupling to an optical cavity modifies the energy-transfer dynamics of the coupled molecules, this work points out the possibility of systematic and predictive modification of the excited-state kinetics of vibration-cavity polariton systems.

  1. A summary of recent NASA/Army contributions to rotorcraft vibrations and structural dynamics technology

    Science.gov (United States)

    Kvaternik, Raymond G.; Bartlett, Felton D., Jr.; Cline, John H.

    1988-01-01

    The requirement for low vibrations has achieved the status of a critical design consideration in modern helicopters. There is now a recognized need to account for vibrations during both the analytical and experimental phases of design. Research activities in this area were both broad and varied and notable advances were made in recent years in the critical elements of the technology base needed to achieve the goal of a jet smooth ride. The purpose is to present an overview of accomplishments and current activities of govern and government-sponsored research in the area of rotorcraft vibrations and structural dynamics, focusing on NASA and Army contributions over the last decade or so. Specific topics addressed include: airframe finite-element modeling for static and dynamic analyses, analysis of coupled rotor-airframe vibrations, optimization of airframes subject to vibration constraints, active and passive control of vibrations in both the rotating and fixed systems, and integration of testing and analysis in such guises as modal analysis, system identification, structural modification, and vibratory loads measurement.

  2. Research on strip hysteretic behavior and mill vertical vibration system nonlinear dynamics

    Science.gov (United States)

    Fan, Xiaobin; Zang, Yong; Jin, Ke

    2016-10-01

    Rolling mill vibration is a technical problem in the iron and steel industry for many years and has serious impact and harm on production. There were serious vibrations in the middle mills when rolling thin container strip for the compact strip production (CSP) strip hot rolling process. This paper studied the hysteretic characteristic of rolled strip and established the vertical vibration system single-degree-of-freedom dynamics model of the F3 mill rollers. The influence of parameters on the system characteristics was studied, such as the linear damping coefficient, linear stiffness coefficient, nonlinear displacement coefficient, nonlinear velocity coefficient and exciting force, and then, the vibration source and vibration-restraining measure were studied from the roll gap. The results show that with increasing linear stiffness, damping and hysteresis coefficient, it can reduce the possibility of chaotic system; the linear stiffness coefficient had the greatest influence, and hysteresis damping coefficient had minimal influence on chaotic threshold. In order to reduce rolling mill vibration amplitude, we should reduce the external excitation force firstly, and in order to improve the dynamic performance of the system, we should control the speed of nonlinear coefficient values. The contrast experiments were carried out at the production scene finally.

  3. FPGA-Based Fused Smart Sensor for Dynamic and Vibration Parameter Extraction in Industrial Robot Links

    Directory of Open Access Journals (Sweden)

    Rene de Jesus Romero-Troncoso

    2010-04-01

    Full Text Available Intelligent robotics demands the integration of smart sensors that allow the controller to efficiently measure physical quantities. Industrial manipulator robots require a constant monitoring of several parameters such as motion dynamics, inclination, and vibration. This work presents a novel smart sensor to estimate motion dynamics, inclination, and vibration parameters on industrial manipulator robot links based on two primary sensors: an encoder and a triaxial accelerometer. The proposed smart sensor implements a new methodology based on an oversampling technique, averaging decimation filters, FIR filters, finite differences and linear interpolation to estimate the interest parameters, which are computed online utilizing digital hardware signal processing based on field programmable gate arrays (FPGA.

  4. FPGA-based fused smart sensor for dynamic and vibration parameter extraction in industrial robot links.

    Science.gov (United States)

    Rodriguez-Donate, Carlos; Morales-Velazquez, Luis; Osornio-Rios, Roque Alfredo; Herrera-Ruiz, Gilberto; de Jesus Romero-Troncoso, Rene

    2010-01-01

    Intelligent robotics demands the integration of smart sensors that allow the controller to efficiently measure physical quantities. Industrial manipulator robots require a constant monitoring of several parameters such as motion dynamics, inclination, and vibration. This work presents a novel smart sensor to estimate motion dynamics, inclination, and vibration parameters on industrial manipulator robot links based on two primary sensors: an encoder and a triaxial accelerometer. The proposed smart sensor implements a new methodology based on an oversampling technique, averaging decimation filters, FIR filters, finite differences and linear interpolation to estimate the interest parameters, which are computed online utilizing digital hardware signal processing based on field programmable gate arrays (FPGA).

  5. Effects of gear box vibration and mass imbalance on the dynamics of multi-stage gear transmissions

    Science.gov (United States)

    Choy, Fred K.; Tu, Yu K.; Zakrajsek, James J.; Townsend, Dennis P.

    1991-01-01

    The dynamic behavior of multistage gear transmission system, with the effects of gear-box-induced vibrations and rotor mass-imbalances is analyzed. The model method, using undamped frequencies and planar mode shapes, is used to reduce the degree-of-freedom of the system. The various rotor-bearing stages as well as lateral and torsional vibrations of each individual stage are coupled through localized gear-mesh-tooth interactions. Gear-box vibrations are coupled to the gear stage dynamics through bearing support forces. Transient and steady state dynamics of lateral and torsional vibrations of the geared system are examined in both time and frequency domain. A typical three-staged geared system is used as an example. Effects of mass-imbalance and gear box vibrations on the system dynamic behavior are presented in terms of modal excitation functions for both lateral and torsional vibrations. Operational characteristics and conclusions are drawn from the results presented.

  6. Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment

    CERN Document Server

    Fujisaki, Hiroshi

    2008-01-01

    A computational approach to describe the energy relaxation of a high-frequency vibrational mode in a fluctuating heterogeneous environment is outlined. Extending previous work [H. Fujisaki, Y. Zhang, and J.E. Straub, J. Chem. Phys. {\\bf 124}, 144910 (2006)], second-order time-dependent perturbation theory is employed which includes the fluctuations of the parameters in the Hamiltonian within the vibrational adiabatic approximation. This means that the time-dependent vibrational frequencies along an MD trajectory are obtained via a partial geometry optimization of the solute with fixed solvent and a subsequent normal mode calculation. Adopting the amide I mode of N-methylacetamide in heavy water as a test problem, it is shown that the inclusion of dynamic fluctuations may significantly change the vibrational energy relaxation. In particular, it is found that relaxation occurs in two phases, because for short times ($\\lesssim$ 200 fs) the spectral density appears continuous due to the frequency-time uncertainty...

  7. Vibrational and vibronic coherences in the dynamics of the FMO complex

    Science.gov (United States)

    Liu, Xiaomeng; Kühn, Oliver

    2016-12-01

    The coupled exciton-vibrational dynamics of a seven site Frenkel exciton model of the Fenna-Matthews-Olson (FMO) complex is investigated using a Quantum Master Equation approach. Thereby, one vibrational mode per monomer is treated explicitly as being part of the relevant system. Emphasis is put on the comparison of this model with that of a purely excitonic relevant system. Further, the effects of two different approximations to the exciton-vibrational basis are investigated, namely the one- and two-particle description. Analysis of the vibronic and vibrational density matrix in the site basis points to the importance of on- and inter-site coherences for the exciton transfer. Here, one- and two-particle approximations give rise to qualitatively different results.

  8. Eigenvalue and stability analysis for transverse vibrations of axially moving strings based on Hamiltonian dynamics

    Institute of Scientific and Technical Information of China (English)

    Yuefang Wang; Lihua Huang; Xuetao Liu; Keren Wang

    2005-01-01

    The Hamiltonian dynamics is adopted to solve the eigenvalue problem for transverse vibrations of axially moving strings. With the explicit Hamiltonian function the canonical equation of the free vibration is derived. Non-singular modal functions are obtained through a linear, symplectic eigenvalue analysis, and the symplectic-type orthogonality conditions of modes are derived. Stability of the transverse motion is examined by means of analyzing the eigenvalues and their bifurcation, especially for strings transporting with the critical speed. It is pointed out that the motion of the string does not possess divergence instability at the critical speed due to the weak interaction between eigenvalue pairs. The expansion theorem is applied with the non-singular modal functions to solve the displacement response to free and forced vibrations. It is demonstrated that the modal functions can be used as the base functions for solving linear and nonlinear vibration problems.

  9. Towards identifying the dynamics of sliding by acoustic emission and vibration

    Science.gov (United States)

    Korchuganov, M. A.; Filippov, A. V.; Tarasov, S. Yu.; Podgornyh, O. A.; Shamarin, N. N.; Filippova, E. O.

    2016-11-01

    The results of experiments with high load and sliding speed sliding conditions on tribologically mated pairs such as steel 1045/steel 1045 (test 1), steel 1045/basalt (test 2) and Hadfield steel/basalt (test 3) have been carried out in order to identify their response in terms of the acoustic emission and vibration signals. The steel to rock and rock to steel transfer has been revealed by examining the worn surfaces of both steel and rock samples with the use of laser scanning microscopy. The AE signal characteristics have been determined for the tribological pairs studied. The dynamics of sliding has been evaluated by measuring the vibration accelerations. Relationship between wear mode and either acoustic emission signal or vibration signal has been established. The minimal vibration oscillations amplitude and acoustic emission signal energy have been found out in sliding Hadfield steel/basalt pair.

  10. Hydrogen release reactions of Al-based complex hydrides enhanced by vibrational dynamics and valences of metal cations.

    Science.gov (United States)

    Sato, T; Ramirez-Cuesta, A J; Daemen, L; Cheng, Y-Q; Tomiyasu, K; Takagi, S; Orimo, S

    2016-09-27

    Hydrogen release from Al-based complex hydrides composed of metal cation(s) and [AlH4](-) was investigated using inelastic neutron scattering viewed from vibrational dynamics. The hydrogen release followed the softening of translational and [AlH4](-) librational modes, which was enhanced by vibrational dynamics and the valence(s) of the metal cation(s).

  11. Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum-mechanical methods

    DEFF Research Database (Denmark)

    Pomogaev, Vladimir; Pomogaeva, Anna; Avramov, Pavel

    2011-01-01

    Three polycyclic organic molecules in various solvents focused on thermo-dynamical aspects were theoretically investigated using the recently developed statistical quantum mechanical/classical molecular dynamics method for simulating electronic-vibrational spectra. The absorption bands of estradiol...

  12. Ejection Dynamics in Vibration-Induced Droplet Atomization

    Science.gov (United States)

    Vukasinovic, Bojan; Smith, Marc K.; Glezer, Ari

    2001-11-01

    A primary sessile liquid drop is atomized into a fine spray of secondary droplets using vibration-induced atomization (VIDA) resulting from forced waves on a free surface of the primary drop. The mechanism of free surface breakup during the VIDA process is investigated using high-speed imaging and laser vibrometry. Secondary droplets result from a localized collapse of surface troughs and the ejection and ultimate breakup of momentary liquid spikes. The characteristic breakup time of these liquid spikes scales with the vibration period and the spike length initially varies like t0.5. The breakup begins with a capillary pinch-off from the tip of the spike that can be followed by additional pinching of liquid droplets. For relatively low-viscosity liquid (e.g., water) a capillary-wave instability of a jet is observed in some cases, while in very viscous liquid (e.g., glycerin-water solution) the first breakup occurs near the stem of the jet. The mechanisms of secondary droplet ejection and the influence of the operating parameters and fluid properties are discussed.

  13. Nonlinear dynamic model for magnetically-tunable Galfenol vibration absorbers

    Science.gov (United States)

    Scheidler, Justin J.; Dapino, Marcelo J.

    2013-03-01

    This paper presents a single degree of freedom model for the nonlinear vibration of a metal-matrix composite manufactured by ultrasonic additive manufacturing that contains seamlessly embedded magnetostrictive Galfenol alloys (FeGa). The model is valid under arbitrary stress and magnetic field. Changes in the composite's natural frequency are quantified to assess its performance as a semi-active vibration absorber. The effects of Galfenol volume fraction and location within the composite on natural frequency are quantified. The bandwidth over which the composite's natural frequency can be tuned with a bias magnetic field is studied for varying displacement excitation amplitudes. The natural frequency is tunable for all excitation amplitudes considered, but the maximum tunability occurs below an excitation amplitude threshold of 1 × 10-6 m for the composite geometry considered. Natural frequency shifts between 6% and 50% are found as the Galfenol volume fraction varies from 25% to 100% when Galfenol is located at the composite neutral axis. At a modest 25% Galfenol by volume, the model shows that up to 15% shifts in composite resonance are possible through magnetic bias field modulation if Galfenol is embedded away from the composite midplane. As the Galfenol volume fraction and distance between Galfenol and composite midplane are increased, linear and quadratic increases in tunability result, respectively.

  14. Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study

    Indian Academy of Sciences (India)

    Bhabani S Mallik; Amalendu Chandra

    2012-01-01

    We present an ab initio molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous solution of acetone at room temperature. It is found that the frequencies of OD bonds in the acetone hydration shell have a higher stretch frequency than those in the bulk water. Also, on average, the frequencies of hydration shell OD modes are found to increase with increase in the acetone-water hydrogen bond distance. The vibrational spectral diffusion of the hydration shell water molecules reveals three time scales: A short-time relaxation (∼80 fs) corresponding to the dynamics of intact acetone-water hydrogen bonds, a slower relaxation (∼1.3 ps) corresponding to the lifetime of acetone-water hydrogen bonds and another longer time constant (∼12 ps) corresponding to the escape dynamics of water from the solute hydration shell. The present first principles results are compared with those of available experiments and classical simulations.

  15. The Qualitative Research Method of Dynamics Vibration of a Washing Machine Based on Riccati Equation

    Directory of Open Access Journals (Sweden)

    Sergey P. Petrosov

    2012-09-01

    Full Text Available The accurate method for finding the common solutions of weakly interconnected system of nonhomogeneous differential equations with variable coefficients based on Riccati Equation was developed. This method describes the dynamics of vibration of the suspension drum type of a washing machine in spin mode.

  16. Study the vibration and dynamic response of the dipole girder system for CSNS/RCS

    CERN Document Server

    Renhong, Liu; JunSong, Zhang; GuangYuan, Wang

    2015-01-01

    China Spallation Neutron Source is a high intensity proton accelerator based facility, and its accelerator complex includes two main parts an H- linac and a rapid cycling synchrotron. The RCS accumulates the 80MeV proton beam, and accelerates it to 1.6GeV, with a repetition rate of 25Hz. The dipole of the CSNS RCS is operated at a 25 Hz sinusoidal alternating current which causes severe vibrate. The vibration will influence the long term safety and reliable operation of the magnet. The dipole of the CSNS RCS is an active vibration equipment which is different from the ground vibration accelerator. It is very important to design and study the dynamic characteristics of the dipole girder system. This paper takes the dipole and girder as a specific model system, a method for studying the dynamic characteristics of the system is put forward by combining theoretical calculation with experimental testing. The modal parameters with and without vibration isolator of the dipole girder system are obtain through ANSYS s...

  17. Analysis of Free Pendulum Vibration Absorber Using Flexible Multi-Body Dynamics

    Directory of Open Access Journals (Sweden)

    Emrah Gumus

    2016-01-01

    Full Text Available Structures which are commonly used in our infrastructures are becoming lighter with progress in material science. These structures due to their light weight and low stiffness have shown potential problem of wind-induced vibrations, a direct outcome of which is fatigue failure. In particular, if the structure is long and flexible, failure by fatigue will be inevitable if not designed properly. The main objective of this paper is to perform theoretical analysis for a novel free pendulum device as a passive vibration absorber. In this paper, the beam-tip mass-free pendulum structure is treated as a flexible multibody dynamic system and the ANCF formulation is used to demonstrate the coupled nonlinear dynamics of a large deflection of a beam with an appendage consisting of a mass-ball system. It is also aimed at showing the complete energy transfer between two modes occurring when the beam frequency is twice the ball frequency, which is known as autoparametric vibration absorption. Results are discussed and compared with findings of MSC ADAMS. This novel free pendulum device is practical and feasible passive vibration absorber in the mitigation of large amplitude wind-induced vibrations in traffic signal structures.

  18. Dynamical Behavior of a Pseudoelastic Vibration Absorber Using Shape Memory Alloys

    Directory of Open Access Journals (Sweden)

    Hugo De S. Oliveira

    2017-01-01

    Full Text Available The tuned vibration absorber (TVA provides vibration reduction of a primary system subjected to external excitation. The idea is to increase the number of system degrees of freedom connecting a secondary system to the primary system. This procedure promotes vibration reduction at its design forcing frequency but two new resonance peaks appear introducing critical behaviors that must be avoided. The use of shape memory alloys (SMAs can improve the performance of the classical TVA establishing an adaptive TVA (ATVA. This paper deals with the nonlinear dynamics of a passive pseudoelastic tuned vibration absorber with an SMA element. In this regard, a single degree of freedom elastic oscillator is used to represent the primary system, while an extra oscillator with an SMA element represents the secondary system. Temperature dependent behavior of the system allows one to change the system response avoiding undesirable responses. Nevertheless, hysteretic behavior introduces complex characteristics to the system dynamics. The influence of the hysteretic behavior due to stress-induced phase transformation is investigated. The ATVA performance is evaluated by analyzing primary system maximum vibration amplitudes for different forcing amplitudes and frequencies. Numerical simulations establish comparisons of the ATVA results with those obtained from the classical TVA. A parametric study is developed showing the best performance conditions and this information can be useful for design purposes.

  19. Dynamical conductivity of boron carbide: heavily damped plasma vibrations.

    Science.gov (United States)

    Werheit, Helmut; Gerlach, Guido

    2014-10-22

    The FIR reflectivity spectra of boron carbide, measured down to ω~10 cm(-1) between 100 and 800 K, are essentially determined by heavily damped plasma vibrations. The spectra are fitted applying the classical Drude-Lorentz theory of free carriers. The fitting Parameter Π=ωp/ωτ yields the carrier densities, which are immediately correlated with the concentration of structural defects in the homogeneity range. This correlation is proved for band-type and hopping conductivity. The effective mass of free holes in the valence band is estimated at m*/me~2.5. The mean free path of the free holes has the order of the cell parameters.

  20. Dynamic vibrations in wind energy systems: Application to vertical axis wind turbine

    Science.gov (United States)

    Mabrouk, Imen Bel; El Hami, Abdelkhalak; Walha, Lassâad; Zghal, Bacem; Haddar, Mohamed

    2017-02-01

    Dynamic analysis of Darrieus turbine bevel spur gear subjected to transient aerodynamic loads is carried out in the present study. The aerodynamic torque is obtained by solving the two dimensional unsteady incompressible Navies Stocks equation with the k-ω shear stress transport turbulence model. The results are presented for several values of tip speed ratio. The two-dimensional Computational Fluid Dynamics model is validated with experimental results. The optimum tip speed ratio is achieved, giving the best overall performance. In this study, we developed a lamped mass dynamic model with 14 degrees of freedom. This model is excited by external and internal issues sources. The main factors of these excitations are the periodic fluctuations of the gear meshes' stiffness and the unsteady aerodynamic torque oscillations. The vibration responses are obtained in time and frequency domains. The originality of our work is the correlation between the complexity of the aerodynamic phenomenon and the non-stationary dynamics vibration of the mechanical gearing system. The effect of the rotational speed on the dynamic behavior of the Darrieus turbine is also discussed. The present study shows that the variation of rotor rotational speed directly affects the torque production. However, there is a small change in the dynamic vibration of the studied gearing system.

  1. Comparison of vibrational dynamics between non-ionic and ionic vibrational probes in water: Experimental study with two-dimensional infrared and infrared pump-probe spectroscopies

    Science.gov (United States)

    Okuda, Masaki; Ohta, Kaoru; Tominaga, Keisuke

    2016-09-01

    Dynamics of the hydration structure around small vibrational probes have been extensively studied over the past few decades. However, we need to gain insight into how vibrational dynamics is affected by the molecular nature of the probe molecules in water. In this study, 2-nitro-5-thiocyanate benzoic acid (NTBA), which has an SCN group attached to an aromatic ring, and thiocyanate ion (SCN-) were used to investigate the vibrational dynamics of two vibrational probes, including vibrational frequency fluctuations and rotational relaxation. By performing two-dimensional infrared spectroscopic measurements, the vibrational frequency fluctuations of the SCN anti-stretching modes of these solutes were compared. The frequency-frequency time correlation function (FFTCF) of these solutes can be modeled by a delta function plus an exponential function and a constant. The FFTCF of NTBA was characterized by a time constant of 1.1 ps, which is similar to that of SCN-. Moreover, no component was longer than this constant. Consequently, the loss of the correlation in frequency fluctuations of the SCN anti-stretching mode of NTBA may be controlled by a mechanism similar to that of the ionic probe, which involves the hydrogen bonding dynamics of water. Polarization-controlled IR pump-probe measurements were performed for these vibrational probes in water to study the vibrational energy relaxation (VER) and reorientational relaxation processes. The VER rate of NTBA is much smaller than that of SCN-, which indicates that the intramolecular relaxation process is significant for VER of NTBA. Based on the rotational relaxation time of NTBA being shorter than that of SCN-, the internal rotational motion of the SCN group around the Cphenyl-S bond axis, where Cphenyl denotes a carbon atom of the aromatic ring to which the SCN group is attached, may play an important role in the anisotropic decay of NTBA in H2O.

  2. Dynamic characteristics and performance evaluation for the part strut failure of the vibration isolation platform on satellites

    Science.gov (United States)

    Zhang, Yao; Sheng, Chao; Guo, Zixi; Wang, Youyi; Li, Wenbo

    2017-04-01

    The dynamic characteristics and performance evaluation for the part strut failure of the vibration isolation platform are presented in this paper. The first step provides and mathematically describes two types of strut failure: fractured and stuck. Secondly, the dynamic model of the vibration isolation platform, which considers the part strut failure, is established using the Newton-Euler method and a constraint equation to evaluate its dynamic characteristics and performance. Then, with reasonable assumptions, the dynamic model of the satellite, which has a vibration isolation platform and vibration sources (such as control moment gyros) of three working situations (without and with two types of strut failure), is simplified to analyse the frequency domain characteristic and coupling characteristic with the attitude control system. Finally, a numerical simulation is used to study the effect of the vibration isolation platform with part strut failure on the attitude control and stabilization, and the attitude control performance is evaluated.

  3. Axial ligand effects on vibrational dynamics of iron in heme carbonyl studied by nuclear resonance vibrational spectroscopy.

    Science.gov (United States)

    Ohta, Takehiro; Liu, Jin-Gang; Saito, Makina; Kobayashi, Yasuhiro; Yoda, Yoshitaka; Seto, Makoto; Naruta, Yoshinori

    2012-11-29

    Nuclear resonance vibrational spectroscopy (NRVS) and density functional theory calculation (DFT) have been applied to illuminate the effect of axial ligation on the vibrational dynamics of iron in heme carbonyl. The analyses of the NRVS data of five- (5c) and six-coordinate (6c) heme-CO complexes indicate that the prominent feature of (57)Fe partial vibrational density of state ((57)FePVDOS) at the 250-300 cm(-1) region is significantly affected by the association of the axial ligand. The DFT calculations predict that the prominent (57)FePVDOS is composed of iron in-plane motions which are coupled with porphyrin pyrrole in-plane (ν(49), ν(50), and ν(53)), an out-of-plane (γ(8)) (two of four pyrrole rings include the in-plane modes, while the rest of pyrrole rings vibrate along the out-of-plane coordinate), and out-of-phase carbonyl C and O atom displacement perpendicular to the Fe-C-O axis. Thus, in the case of the 5c CO-heme the prominent (57)FePVDOS shows sharp and intense feature because of the degeneracy of the e symmetry mode within the framework of C(4v) symmetry molecule, whereas the association of the axial imidazole ligand in the 6c complex with the lowered symmetry results in split of the degenerate vibrational energy as indicated by broader and lower intensity features of the corresponding NRVS peak compared to the 5c structure. The vibrational energy of the iron in-plane motion in the 6c complex is higher than that in 5c, implying that the iron in the 6c complex includes stronger in-plane interaction with the porphyrin compared to 5c. The iron in-plane mode above 500 cm(-1), which is predominantly coupled with the out-of-phase carbonyl C and O atom motion perpendicular to Fe-C-O, called as Fe-C-O bending mode (δ(Fe-C-O)), also suggests that the 6c structure involves a larger force constant for the e symmetry mode than 5c. The DFT calculations along with the NRVS data suggest that the stiffened iron in-plane motion in the 6c complex can be ascribed

  4. Vibration control of multi-degrees-of-freedom system with dynamic absorbers based on power flow

    Institute of Scientific and Technical Information of China (English)

    WANG Quanjuan; HUANG Wenhua; XIA Songbo; LI Jimin; SUN Zhizhuo

    2003-01-01

    In accordance with a multiple degrees of freedom vibration system with dynamicvibration absorbers (DVAs), an equivalent admittance matrix and the power flows input majorstructure and minor structure are deduced on the basis of the theories of structure mobility.Furthermore, regarding the net power flow of main vibration system as the controlled object,probed into are the single and multiple model controls of multi-degrees-of-freedom system withone or several absorbers attached. And the control mechanism and effect of dynamic vibrationabsorbers are revealed.

  5. Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

    CERN Document Server

    Ji, Pengfei; Yang, Mo

    2016-01-01

    The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quant...

  6. Hydration and vibrational dynamics of betaine (N,N,N-trimethylglycine)

    Science.gov (United States)

    Li, Tanping; Cui, Yaowen; Mathaga, John; Kumar, Revati; Kuroda, Daniel G.

    2015-06-01

    Zwitterions are naturally occurring molecules that have a positive and a negative charge group in its structure and are of great importance in many areas of science. Here, the vibrational and hydration dynamics of the zwitterionic system betaine (N,N,N-trimethylglycine) is reported. The linear infrared spectrum of aqueous betaine exhibits an asymmetric band in the 1550-1700 cm-1 region of the spectrum. This band is attributed to the carboxylate asymmetric stretch of betaine. The potential of mean force computed from ab initio molecular dynamic simulations confirms that the two observed transitions of the linear spectrum are related to two different betaine conformers present in solution. A model of the experimental data using non-linear response theory agrees very well with a vibrational model comprising of two vibrational transitions. In addition, our modeling shows that spectral parameters such as the slope of the zeroth contour plot and central line slope are both sensitive to the presence of overlapping transitions. The vibrational dynamics of the system reveals an ultrafast decay of the vibrational population relaxation as well as the correlation of frequency-frequency correlation function (FFCF). A decay of ˜0.5 ps is observed for the FFCF correlation time and is attributed to the frequency fluctuations caused by the motions of water molecules in the solvation shell. The comparison of the experimental observations with simulations of the FFCF from ab initio molecular dynamics and a density functional theory frequency map shows a very good agreement corroborating the correct characterization and assignment of the derived parameters.

  7. Random Vibration and Dynamic Analysis of a Planetary Gear Train in a Wind Turbine

    Directory of Open Access Journals (Sweden)

    Jianming Yang

    2016-01-01

    Full Text Available Premature failure of gearboxes is a big challenge facing the wind power industry. It highly depends on fully understanding the embedded dynamics to solve this problem. To this end, this paper investigates the random vibration and dynamics of planetary gear trains (PGTs in wind turbines under the excitation of wind turbulence. The turbulence is represented by the Von Karmon spectrum and implemented by passing white noise through a 2nd-order shaping filter. Then, extra equations are formed and added to the original governing equations of motion. With this augmented equation set, a recursive numerical algorithm based on stochastic Newmark scheme is applied to solve for the statistics of the responses starting from initial conditions. After simulation, the variances of the vibration responses and the dynamic meshing forces at gear meshes are obtained.

  8. Free Vibration Analysis for Dynamic Stiffness Degradation of Cracked Cantilever Plate

    Directory of Open Access Journals (Sweden)

    Oday. I. Abdullah

    2005-01-01

    Full Text Available In the present work a dynamic analysis technique have been developed to investigate and characterize the quantity of elastic module degradation of cracked cantilever plates due to presence of a defect such as surface of internal crack under free vibration. A new generalized technique represents the first step in developing a health monitoring system, the effects of such defects on the modal frequencies has been the main key quantifying the elasticity modulii due to presence any type of un-visible defect. In this paper the finite element method has been used to determine the free vibration characteristics for cracked cantilever plate (internal flaws, this present work achieved by different position of crack. Stiffness reduction in term of elastic material properties is analyzed through a parametric study of crack density factor. Results are given for Young’s modulus and shear modulus variation with respects the vibrational characteristics.

  9. Dynamic behavior of a vibrated droplet on a low-temperature micropillared surface

    Science.gov (United States)

    Tan, Chen-chuan; Jia, Zhi-hai; Yang, Hui-nan; Zhang, Zhi-tao

    2017-02-01

    The dynamic behavior of a vibrated droplet on a micropillared hydrophobic surface under low temperature was investigated in this paper. It was observed that solidified time of droplets on the micropillared surface were much larger than on the smooth surface due to the existence of wetting transition at low temperature, without vibration. The solidified time of droplets was longer while vibration was exerted on the surfaces, even though the wetting transition time of droplets at low temperature was shorter than at room temperature. It was found that resonance frequency of droplet increased as surface tension increased due to low temperature. Moreover, when a droplet was in its resonance frequency, the wetting area between the droplet and the micropillared surface increased obviously and its solidified time decreased substantially, and it led to the decline of anti-icing performance. This work is helpful to design a more efficient anti-icing device.

  10. Ultrafast Relaxation Dynamics of Photoexcited Zinc-Porphyrin: Electronic-Vibrational Coupling.

    Science.gov (United States)

    Abraham, Baxter; Nieto-Pescador, Jesus; Gundlach, Lars

    2016-08-18

    Cyclic tetrapyrroles are the active core of compounds with crucial roles in living systems, such as hemoglobin and chlorophyll, and in technology as photocatalysts and light absorbers for solar energy conversion. Zinc-tetraphenylporphyrin (Zn-TPP) is a prototypical cyclic tetrapyrrole that has been intensely studied in past decades. Because of its importance for photochemical processes the optical properties are of particular interest, and, accordingly, numerous studies have focused on light absorption and excited-state dynamics of Zn-TPP. Relaxation after photoexcitation in the Soret band involves internal conversion that is preceded by an ultrafast process. This relaxation process has been observed by several groups. Hitherto, it has not been established if it involves a higher lying "dark" state or vibrational relaxation in the excited S2 state. Here we combine high time resolution electronic and vibrational spectroscopy to show that this process constitutes vibrational relaxation in the anharmonic S2 potential.

  11. Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Schröter, M.; Ivanov, S.D.; Schulze, J. [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany); Polyutov, S.P. [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany); Laboratory for Nonlinear Optics and Spectroscopy, Siberian Federal University, Svobodniy, 79, 660041 Krasnoyarsk (Russian Federation); Yan, Y. [Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Normal College, Guizhou 550018 (China); Pullerits, T. [Department of Chemical Physics, Lund University, P.O. Box 124, S-22100 Lund (Sweden); Kühn, O., E-mail: oliver.kuehn@uni-rostock.de [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany)

    2015-03-18

    The influence of exciton–vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest in recent years. On the experimental side, various nonlinear spectroscopic techniques gave insight into the dynamics of systems as complex as photosynthetic antennae. Striking evidence was gathered that in these protein–pigment complexes quantum coherence is operative even at room temperature conditions. Investigations were triggered to understand the role of vibrational degrees of freedom, beyond that of a heat bath characterized by thermal fluctuations. This development was paralleled by theory, where efficient methods emerged, which could provide the proper frame to perform non-Markovian and non-perturbative simulations of exciton–vibrational dynamics and spectroscopy. This review summarizes the state of affairs of the theory of exciton–vibrational interaction in molecular aggregates and photosynthetic antenna complexes. The focus is put on the discussion of basic effects of exciton–vibrational interaction from the stationary and dynamics points of view. Here, the molecular dimer plays a prominent role as it permits a systematic investigation of absorption and emission spectra by numerical diagonalization of the exciton–vibrational Hamiltonian in a truncated Hilbert space. An extension to larger aggregates, having many coupled nuclear degrees of freedom, becomes possible with the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method for wave packet propagation. In fact it will be shown that this method allows one to approach the limit of almost continuous spectral densities, which is usually the realm of density matrix theory. Real system–bath situations are introduced for two models, which differ in the way strongly coupled nuclear coordinates are treated, as a part of the relevant system or the bath. A rather detailed exposition of the Hierarchy Equations Of Motion (HEOM

  12. Effect of Space Vehicle Structure Vibration on Control Moment Gyroscope Dynamics

    Science.gov (United States)

    Dobrinskaya, Tatiana

    2008-01-01

    Control Moment Gyroscopes (CMGs) are used for non-propulsive attitude control of satellites and space stations, including the International Space Station (ISS). CMGs could be essential for future long duration space missions due to the fact that they help to save propellant. CMGs were successfully tested on the ground for many years, and have been successfully used on satellites. However, operations have shown that the CMG service life on the ISS is significantly shorter than predicted. Since the dynamic environment of the ISS differs greatly from the nominal environment of satellites, it was important to analyze how operations specific to the station (dockings and undockings, huge solar array motion, crew exercising, robotic operations, etc) can affect the CMG performance. This task became even more important since the first CMG failure onboard the ISS. The CMG failure resulted in the limitation of the attitude control capabilities, more propellant consumption, and additional operational issues. Therefore, the goal of this work was to find out how the vibrations of a space vehicle structure, caused by a variety of onboard operations, can affect the CMG dynamics and performance. The equations of CMG motion were derived and analyzed for the case when the gyro foundation can vibrate in any direction. The analysis was performed for unbalanced CMG gimbals to match the CMG configuration on ISS. The analysis showed that vehicle structure vibrations can amplify and significantly change the CMG motion if the gyro gimbals are unbalanced in flight. The resonance frequencies were found. It was shown that the resonance effect depends on the magnitude of gimbal imbalance, on the direction of a structure vibration, and on gimbal bearing friction. Computer modeling results of CMG dynamics affected by the external vibration are presented. The results can explain some of the CMG vibration telemetry observed on ISS. This work shows that balancing the CMG gimbals decreases the effect

  13. Effect of Space Vehicle Structure Vibration on Control Moment Gyroscope Dynamics

    Science.gov (United States)

    Dobrinskaya, Tatiana

    2008-01-01

    Control Moment Gyroscopes (CMGs) are used for non-propulsive attitude control of satellites and space stations, including the International Space Station (ISS). CMGs could be essential for future long duration space missions due to the fact that they help to save propellant. CMGs were successfully tested on the ground for many years, and have been successfully used on satellites. However, operations have shown that the CMG service life on the ISS is significantly shorter than predicted. Since the dynamic environment of the ISS differs greatly from the nominal environment of satellites, it was important to analyze how operations specific to the station (dockings and undockings, huge solar array motion, crew exercising, robotic operations, etc) can affect the CMG performance. This task became even more important since the first CMG failure onboard the ISS. The CMG failure resulted in the limitation of the attitude control capabilities, more propellant consumption, and additional operational issues. Therefore, the goal of this work was to find out how the vibrations of a space vehicle structure, caused by a variety of onboard operations, can affect the CMG dynamics and performance. The equations of CMG motion were derived and analyzed for the case when the gyro foundation can vibrate in any direction. The analysis was performed for unbalanced CMG gimbals to match the CMG configuration on ISS. The analysis showed that vehicle structure vibrations can amplify and significantly change the CMG motion if the gyro gimbals are unbalanced in flight. The resonance frequencies were found. It was shown that the resonance effect depends on the magnitude of gimbal imbalance, on the direction of a structure vibration, and on gimbal bearing friction. Computer modeling results of CMG dynamics affected by the external vibration are presented. The results can explain some of the CMG vibration telemetry observed on ISS. This work shows that balancing the CMG gimbals decreases the effect

  14. Dynamic Analysis of a High-Static-Low-Dynamic-Stiffness Vibration Isolator with Time-Delayed Feedback Control

    Directory of Open Access Journals (Sweden)

    Yong Wang

    2015-01-01

    Full Text Available This paper proposes the time-delayed cubic velocity feedback control strategy to improve the isolation performance of High-Static-Low-Dynamic-Stiffness (HSLDS vibration isolator. Firstly, the primary resonance of the controlled HSLDS vibration isolator is obtained by using multiple scales method. The equivalent damping ratio and equivalent resonance frequency are defined to study the effects of feedback gain and time delay on the primary resonance. The jump phenomenon analysis of the controlled system without and with time delay is investigated by using Sylvester resultant method and optimization method, respectively. The stability analysis of the controlled system is also considered. Then, the 1/3 subharmonic resonance of the controlled system is studied by using multiple scales method. The effects of feedback gain and time delay on the 1/3 subharmonic resonance are also presented. Finally, force transmissibility is proposed to evaluate the performance of the controlled system and compared with an equivalent linear passive vibration isolator. The results show that the vibration amplitude of the controlled system around the resonance frequency region decreases and the isolation frequency band is larger compared to the equivalent one. A better isolation performance in the high frequency band can be achieved compared to the passive HSLDS vibration isolator.

  15. Structure and vibrational dynamics of interfacial Sn layers in Sn/Si multilayers

    Science.gov (United States)

    Cuenya, B. Roldan; Keune, W.; Sturhahn, W.; Toellner, T. S.; Hu, M. Y.

    2001-12-01

    The structure and vibrational dynamics of room-temperature-grown nanoscale Sn/amorphous (a-)Si multilayers have been studied by x-ray diffraction, Raman scattering, 119Sn Mössbauer spectroscopy, and 119Sn nuclear-resonant inelastic x-ray scattering (NRIXS) of synchrotron radiation. With increasing Sn-layer thickness, the formation of β-Sn was observed, except at the Sn/Si interfaces, where a 10-Å-thick metastable pure amorphous-α-Sn-like layer remains stabilized. By means of NRIXS we have measured the Sn-projected vibrational density of states (VDOS) in these multilayers (in particular, at the interfaces), and in 500-Å-thick epitaxial α-Sn films on InSb(001) as a reference. Further, the Sn-specific Lamb-Mössbauer factor (f factor), mean kinetic energy per atom, mean atomic force constant, and vibrational entropy per atom were obtained. The VDOS of the amorphous-α-Sn-like interface layer is observed to be distinctly different from that of (bulk) α-Sn and β-Sn, and its prominent vibrational energies are found to scale with those of amorphous Ge and Si. The observed small difference in vibrational entropy (ΔS/kB=+0.17+/-0.05 per atom) between α-Sn and interfacial amorphous-α-like Sn does not account for the stability of the latter phase.

  16. Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules

    Science.gov (United States)

    Shiga, Motoyuki; Nakayama, Akira

    2008-01-01

    The path integral ring polymer molecular dynamics method is combined with 'on-the-fly' ab initio electronic structure calculations and applied to vibrational spectra of small molecules, LiH and H 2O, at the room temperature. The results are compared with those of the numerically exact solution and ab initio path integral centroid molecular dynamics calculation. The peak positions in the calculated spectra are found to be reasonable, showing the red-shift due to potential anharmonicity. This unification enables the investigation of real-time quantum dynamics of chemically complex molecular systems on the ab initio Born-Oppenheimer potential energy surface.

  17. Space robots with flexible appendages: Dynamic modeling, coupling measurement, and vibration suppression

    Science.gov (United States)

    Meng, Deshan; Wang, Xueqian; Xu, Wenfu; Liang, Bin

    2017-05-01

    For a space robot with flexible appendages, vibrations of flexible structure can be easily excited during both orbit and/or attitude maneuvers of the base and the operation of the manipulators. Hence, the pose (position and attitude) of the manipulator's end-effector will greatly deviate from the desired values, and furthermore, the motion of the manipulator will trigger and exacerbate vibrations of flexible appendages. Given lack of the atmospheric damping in orbit, the vibrations will last for quite a while and cause the on-orbital tasks to fail. We derived the rigid-flexible coupling dynamics of a space robot system with flexible appendages and established a coupling model between the flexible base and the space manipulator. A specific index was defined to measure the coupling degree between the flexible motion of the appendages and the rigid motion of the end-effector. Then, we analyzed the dynamic coupling for different conditions, such as modal displacements, joint angles (manipulator configuration), and mass properties. Moreover, the coupling map was adopted and drawn to represent the coupling motion. Based on this map, a trajectory planning method was addressed to suppress structure vibration. Finally, simulation studies of typical cases were performed, which verified the proposed models and method. This work provides a theoretic basis for the system design, performance evaluation, trajectory planning, and control of such space robots.

  18. A combined dynamic analysis method for geometrically nonlinear vibration isolators with elastic rings

    Science.gov (United States)

    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.

  19. Nonlinear Dynamic Behaviors of Rotated Blades with Small Breathing Cracks Based on Vibration Power Flow Analysis

    Directory of Open Access Journals (Sweden)

    Hailong Xu

    2016-01-01

    Full Text Available Rotated blades are key mechanical components in turbomachinery and high cycle fatigues often induce blade cracks. Accurate detection of small cracks in rotated blades is very significant for safety, reliability, and availability. In nature, a breathing crack model is fit for a small crack in a rotated blade rather than other models. However, traditional vibration displacements-based methods are less sensitive to nonlinear characteristics due to small breathing cracks. In order to solve this problem, vibration power flow analysis (VPFA is proposed to analyze nonlinear dynamic behaviors of rotated blades with small breathing cracks in this paper. Firstly, local flexibility due to a crack is derived and then time-varying dynamic model of the rotated blade with a small breathing crack is built. Based on it, the corresponding vibration power flow model is presented. Finally, VPFA-based numerical simulations are done to validate nonlinear behaviors of the cracked blade. The results demonstrate that nonlinear behaviors of a crack can be enhanced by power flow analysis and VPFA is more sensitive to a small breathing crack than displacements-based vibration analysis. Bifurcations will occur due to breathing cracks and subharmonic resonance factors can be defined to identify breathing cracks. Thus the proposed method can provide a promising way for detecting and predicting small breathing cracks in rotated blades.

  20. Global Dynamic Characteristic of Nonlinear Torsional Vibration System under Harmonically Excitation

    Institute of Scientific and Technical Information of China (English)

    SHI Peiming; LIU Bin; HOU Dongxiao

    2009-01-01

    Torsional vibration generally causes serious instability and damage problems in many rotating machinery parts. The global dynamic characteristic of nonlinear torsional vibration system with nonlinear rigidity and nonlinear friction force is investigated. On the basis of the generalized dissipation Lagrange's equation, the dynamics equation of nonlinear torsional vibration system is deduced. The bifurcation and chaotic motion in the system subjected to an external harmonic excitation is studied by theoretical analysis and numerical simulation. The stability of unperturbed system is analyzed by using the stability theory of equilibrium positions of Hamiltonian systems. The criterion of existence of chaos phenomena under a periodic perturbation is given by means of Melnikov's method. It is shown that the existence of homoclinic and heteroclinic orbits in the unperturbed system implies chaos arising from breaking of homoclinic or heteroclinic orbits under perturbation. The validity of the result is checked numerically. Periodic doubling bifurcation route to chaos, quasi-periodic route to chaos, intermittency route to chaos are found to occur due to the amplitude varying in some range. The evolution of system dynamic responses is demonstrated in detail by Poincare maps and bifurcation diagrams when the system undergoes a sequence of periodic doubling or quasi-periodic bifurcations to chaos. The conclusion can provide reference for deeply researching the dynamic behavior of mechanical drive systems.

  1. Suppression of wind-induced vibrations of a seesaw-type oscillator by means of a dynamic absorber

    NARCIS (Netherlands)

    Lumbantobing, H.

    2003-01-01

    In this paper the suppression of wind-induced vibrations of a seesaw-type oscillator by means of a dynamic absorber is considered. With suppression the shift of the critical flow velocity to higher values as well as the reduction of vibration amplitudes is meant. The equations of motion are derived

  2. Interaction of Soil Static and Dynamic Stiffness and Buried Pipeline Under Harmonic Vibration

    Directory of Open Access Journals (Sweden)

    Alireza M.G. Roshan

    2010-01-01

    Full Text Available Problem statement: When earthquake is occur, many damages were occurred in pipelines that San Francisco (1906 and Manson (1908, Kobe (Japan and ate are samples of this topic. So many researchers studied on the pipelines and dynamic forces. Approach: Determine static and dynamic performance parameters of the pipeline and the surrounding soil such as static stiffness, dynamic stiffness, damping and additional mass share of soil which take part with pipe mass in dynamic performance. In the static case relationship between friction forces and joint deflections in a buried element pipe had be calculated and with using of some experimental results and results are compared together. For dynamic cases, Dynamic equilibrium equation of pipeline element axial vibration in continuous system, with neglecting the effect of soil mass share which participates in producing vibration and with considering of it were abstained and values of displacement and forces were calculated. In continuous, these formulations were process for many cases and were drawn in graphs for comparison. Results: Stiffness for ω/ωn doesn’t change much but for the values more than 1 it increase rising. when ω/ωn the ratio of dynamic stiffness to the static stiffness is less than unique except in big amount of damping ratio (ρ>0.5 which the ratio becomes more than 1. Finally for ω/ωn>1, the ratio of dynamic to static stiffness rises rapidly and by increasing the additional mass, the value of dynamic stiffness in case of ω/ωn>1 would increase highly. Conclusion: The static performance between soil and pipe is nonlinear in axial direction and when the hysteric dominates grows, the value of force dominates between soil and pipe and dynamic stiffness would ascend. Also by increasing damping ratio, the dynamic stiffness would increase too however it depends on the static to dynamic stiffness ratio and the damping ratio.

  3. Magnetic suspension motorized spindle-cutting system dynamics analysis and vibration control review

    Directory of Open Access Journals (Sweden)

    Xiaoli QIAO

    2016-10-01

    Full Text Available The performance of high-speed spindle directly determines the development of high-end machine tools. The cutting system's dynamic characteristics and vibration control effect are inseparable with the performance of the spindle,which influence each other, synergistic effect together the cutting efficiency, the surface quality of the workpiece and tool life in machining process. So, the review status on magnetic suspension motorized spindle, magnetic suspension bearing-flexible rotor system dynamics modeling theory and status of active control technology of flexible magnetic suspension motorized spindle rotor vibration are studied, and the problems which present in the magnetic suspension flexible motorized spindle rotor systems are refined, and the development trend of magnetic levitation motorized spindle and the application prospect is forecasted.

  4. Dynamic test and finite element model updating of bridge structures based on ambient vibration

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The dynamic characteristics of bridge structures are the basis of structural dynamic response and seismic analysis,and are also an important target of health condition monitoring.In this paper,a three-dimensional finite-element model is first established for a highway bridge over a railroad on No.312 National Highway.Based on design drawings,the dynamic characteristics of the bridge are studied using finite element analysis and ambient vibration measurements.Thus,a set of data is selected based on sensitivity analysis and optimization theory;the finite element model of the bridge is updated.The numerical and experimental results show that the updated method is more simple and effective,the updated finite element model can reflect the dynamic characteristics of the bridge better,and it can be used to predict the dynamic response under complex external forces.It is also helpful for further damage identification and health condition monitoring.

  5. Modeling and dynamic properties of dual-chamber solid and liquid mixture vibration isolator

    Science.gov (United States)

    Li, F. S.; Chen, Q.; Zhou, J. H.

    2016-07-01

    The dual-chamber solid and liquid mixture (SALiM) vibration isolator, mainly proposed for vibration isolation of heavy machines with low frequency, consists of four principle parts: SALiM working media including elastic elements and incompressible oil, multi-layers bellows container, rigid reservoir and the oil tube connecting the two vessels. The isolation system under study is governed by a two-degrees-of-freedom (2-DOF) nonlinear equation including quadratic damping. Simplifying the nonlinear damping into viscous damping, the equivalent stiffness and damping model is derived from the equation for the response amplitude. Theoretical analysis and numerical simulation reveal that the isolator's stiffness and damping have multiple properties with different parameters, among which the effects of exciting frequency, vibrating amplitude, quadratic damping coefficient and equivalent stiffness of the two chambers on the isolator's dynamics are discussed in depth. Based on the boundary characteristics of stiffness and damping and the main causes for stiffness hardening effect, improvement strategies are proposed to obtain better dynamic properties. At last, experiments were implemented and the test results were generally consistent with the theoretical ones, which verified the reliability of the nonlinear dynamic model.

  6. Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation.

    Science.gov (United States)

    Jeon, Jonggu; Hsieh, Cho-Shuen; Nagata, Yuki; Bonn, Mischa; Cho, Minhaeng

    2017-07-28

    The air-water interface has been a subject of extensive theoretical and experimental studies due to its ubiquity in nature and its importance as a model system for aqueous hydrophobic interfaces. We report on the structure and vibrational energy transfer dynamics of this interfacial water system studied with equilibrium and non-equilibrium molecular dynamics simulations employing a density functional theory -based description of the system and the kinetic energy spectral density analysis. The interfacial water molecules are found to make fewer and weaker hydrogen (H)-bonds on average compared to those in the bulk. We also find that (i) the H-bonded OH groups conjugate to the free OH exhibit rather low vibrational frequencies (3000-3500 cm(-1)); (ii) the presence of a significant fraction (>10%) of free and randomly oriented water molecules at the interface ("labile water"), neither of whose OH groups are strong H-bond donors; (iii) the inertial rotation of free OH groups, especially from the labile water, contribute to the population decay of excited free OH groups with comparable rate and magnitude as intramolecular energy transfer between the OH groups. These results suggest that the labile water, which might not be easily detectable by the conventional vibrational sum frequency generation method, plays an important role in the surface water dynamics.

  7. Improved design of dynamic vibration absorber by using the inerter and its application in vehicle suspension

    Science.gov (United States)

    Shen, Yujie; Chen, Long; Yang, Xiaofeng; Shi, Dehua; Yang, Jun

    2016-01-01

    Inerter is a recently proposed mechanical element with two terminals. The novelty of this paper is to present the improved design which aims to add traditional dynamic vibration absorber to the vehicle body by using the inerter. Based on this background, a new vehicle suspension structure called ISD suspension, including the inerter, spring and damper has been created. A dual-mass vibration model including the ISD suspension is considered in this study. Parameters are obtained by using the genetic optimizing algorithm. The frequency-domain simulation confirms that the ISD suspension can effectively improve the damping performance of the suspension system, especially at the offset frequency of the vehicle body, which is consistent with the feature of the dynamic vibration absorber added to the vehicle body mass. At last, a prototype ball screw inerter has been designed and the bench test of a quarter-car model has been undertaken. Under the conditions of the random road input, the vehicle ride comfort evaluation of body acceleration RMS value decreases by 4% at most, the suspension deflection RMS value decreases by 16% at most, the tire dynamic load RMS value decreases by 6% at most. Power spectral density results also indicate that the ISD suspension has superior damping performance than passive suspension which proves that the proposed ISD suspension is deemed effective.

  8. Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation

    Science.gov (United States)

    Jeon, Jonggu; Hsieh, Cho-Shuen; Nagata, Yuki; Bonn, Mischa; Cho, Minhaeng

    2017-07-01

    The air-water interface has been a subject of extensive theoretical and experimental studies due to its ubiquity in nature and its importance as a model system for aqueous hydrophobic interfaces. We report on the structure and vibrational energy transfer dynamics of this interfacial water system studied with equilibrium and non-equilibrium molecular dynamics simulations employing a density functional theory -based description of the system and the kinetic energy spectral density analysis. The interfacial water molecules are found to make fewer and weaker hydrogen (H)-bonds on average compared to those in the bulk. We also find that (i) the H-bonded OH groups conjugate to the free OH exhibit rather low vibrational frequencies (3000-3500 cm-1); (ii) the presence of a significant fraction (>10%) of free and randomly oriented water molecules at the interface ("labile water"), neither of whose OH groups are strong H-bond donors; (iii) the inertial rotation of free OH groups, especially from the labile water, contribute to the population decay of excited free OH groups with comparable rate and magnitude as intramolecular energy transfer between the OH groups. These results suggest that the labile water, which might not be easily detectable by the conventional vibrational sum frequency generation method, plays an important role in the surface water dynamics.

  9. Virtual sensing of structural vibrations using dynamic substructuring

    Science.gov (United States)

    Kullaa, Jyrki

    2016-10-01

    Virtual sensing techniques use information available from a limited set of physical sensors together with the finite element model to calculate an estimate of the quantity of interest. In structural dynamics applications, analytical mode shapes from the finite element model are typically used as a basis to estimate the response at unmeasured locations by an expansion algorithm. An alternative is to model only the interesting part of the structure using substructuring techniques, in which the natural modes are replaced by component modes consisting of a selected number of fixed interface modes plus the interface constraint modes. They are mutually independent and compose a valid subspace for estimating the unmeasured response. If the number of interface degrees of freedom is large, interface reduction is applied. The main advantage of the proposed approach is that the modelling effort can be substantially decreased, because only part of the structure is modelled and the modelling uncertainties, non-linearities, or changes in the omitted structure can be ignored. The method is validated by numerical simulations of three different structures under unknown excitation. Different types and locations of virtual sensors are studied. Also, the effects of noise and model errors are investigated. The most accurate estimation is obtained if the virtual sensor is located away from the interface and close to a physical sensor.

  10. Correction of vibrational broadening in molecular dynamics clusters with the normal mode optimization method.

    Science.gov (United States)

    Hudecová, Jana; Hopmann, Kathrin H; Bouř, Petr

    2012-01-12

    Vibrational properties of solutions are frequently simulated with clusters of a solute and a few solvent molecules obtained during molecular dynamics (MD) simulations. The raw cluster geometries, however, often provide unrealistic vibrational band broadening, for both ab initio and empirical force fields. In this work, partial optimization in normal-mode coordinates is used on empirical basis to reduce the broadening. The origin of the error is discussed on a simplified two-dimensional system, which indicates that the problem is caused by the anharmonic MD potential, mode coupling, and neglect of quantum effects. Then the procedure of partial geometry optimization on Raman and Raman optical activity (ROA) spectra is applied and analyzed for the solvated lactamide molecule. Comparison to experiment demonstrates that the normal-mode partial optimization technique with a suitable frequency limit can significantly reduce the broadening error. For lactamide, experimental and simulated vibrational bandwidths are compared; the most realistic theoretical spectra are obtained for partially optimized clusters with the vibrational wavenumber cutoff of about 200 cm(-1).

  11. On the Consistency of Approximate Quantum Dynamics Simulation Methods for Vibrational Spectra in the Condensed Phase

    CERN Document Server

    Rossi, Mariana; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

    2014-01-01

    Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer (LMon) model and a mixed quantum-classical (MQC) model as representatives of the first family of methods, and centroid molecular dynamics (CMD) and thermostatted ring polymer molecular dynamics (TRPMD) as examples of the latter. We use as benchmarks D$_2$O doped with HOD and pure H$_2$O at three distinc...

  12. Dynamic stiffness matrix development and free vibration analysis of a moving beam

    Science.gov (United States)

    Banerjee, J. R.; Gunawardana, W. D.

    2007-06-01

    The dynamic stiffness matrix of a moving Bernoulli-Euler beam is developed and used to investigate its free flexural vibration characteristics. In order to develop the dynamic stiffness matrix, it is necessary to derive and solve the governing differential equation of motion of the moving beam in closed analytical form. The solution is then used to obtain the general expressions for both responses and loads. Boundary conditions are applied to determine the constants in the general solution, leading to the formation of the frequency dependent dynamic stiffness matrix of the moving beam, relating the amplitudes of the harmonically varying loads to those of the corresponding responses. The application of the resulting dynamic stiffness matrix using the Wittrick-Williams algorithm is demonstrated by some illustrative examples. Numerical results for both simply supported and fixed-fixed end conditions of the beam are discussed, and wherever possible, some are compared with those available in the literature.

  13. On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy

    Science.gov (United States)

    Witt, Alexander; Ivanov, Sergei D.; Shiga, Motoyuki; Forbert, Harald; Marx, Dominik

    2009-05-01

    Centroid molecular dynamics (CMD) and ring polymer molecular dynamics (RPMD) are two conceptually distinct extensions of path integral molecular dynamics that are able to generate approximate quantum dynamics of complex molecular systems. Both methods can be used to compute quasiclassical time correlation functions which have direct application in molecular spectroscopy; in particular, to infrared spectroscopy via dipole autocorrelation functions. The performance of both methods for computing vibrational spectra of several simple but representative molecular model systems is investigated systematically as a function of temperature and isotopic substitution. In this context both CMD and RPMD feature intrinsic problems which are quantified and investigated in detail. Based on the obtained results guidelines for using CMD and RPMD to compute infrared spectra of molecular systems are provided.

  14. Tremor Reduction at the Palm of a Parkinson’s Patient Using Dynamic Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Sarah Gebai

    2016-07-01

    Full Text Available Parkinson’s patients suffer from severe tremor due to an abnormality in their central oscillator. Medications used to decrease involuntary antagonistic muscles contraction can threaten their life. However, mechanical vibration absorbers can be used as an alternative treatment. The objective of this study is to provide a dynamic modeling of the human hand that describes the biodynamic response of Parkinson’s patients and to design an effective tuned vibration absorber able to suppress their pathological tremor. The hand is modeled as a three degrees-of-freedom (DOF system describing the flexion motion at the proximal joints on the horizontal plane. Resting tremor is modeled as dual harmonic excitation due to shoulder and elbow muscle activation operating at resonance frequencies. The performance of the single dynamic vibration absorber (DVA is studied when attached to the forearm and compared with the dual DVA tuned at both excitation frequencies. Equations of motion are derived and solved using the complex transfer function of the non-Lagrangian system. The absorber’s systems are designed as a stainless steel alloy cantilevered beam with an attached copper mass. The dual DVA was the most efficient absorber which reduces 98.3%–99.5%, 97.0%–97.3% and 97.4%–97.5% of the Parkinson’s tremor amplitude at the shoulder, elbow and wrist joint.

  15. Dynamics of a Grain-Filled Ball on a Vibrating Plate

    Science.gov (United States)

    Pacheco-Vázquez, F.; Ludewig, F.; Dorbolo, S.

    2014-09-01

    We study experimentally how the bouncing dynamics of a hollow ball on a vibrating plate is modified when it is partially filled with liquid or grains. Whereas empty and liquid-filled balls display a dominant chaotic dynamics, a ball with grains exhibits a rich variety of stationary states, determined by the grain size and filling volume. In the collisional regime, i.e., when the energy injected to the system is mainly dissipated by interparticle collisions, an unexpected period-1 orbit appears independently of the vibration conditions, over a wide range. This is a self-regulated state driven by the formation and collapse of a granular gas within the ball during one cycle. In the frictional regime (dissipation dominated by friction), the grains move collectively and generate different patterns and steady modes: oscillons, waves, period doubling, etc. From a phase diagram and a geometrical analysis, we deduce that these modes are the result of a coupling (synchronization) between the vibrating plate frequency and the trajectory followed by the particles inside the cavity.

  16. Size-dependent ultrafast structural dynamics inside phospholipid vesicle bilayers measured with 2D IR vibrational echoes

    Science.gov (United States)

    Kel, Oksana; Tamimi, Amr; Fayer, Michael D.

    2014-01-01

    The ultrafast structural dynamics inside the bilayers of dilauroylphosphatidylcholine (DLPC) and dipalmitoylphosphatidylcholine vesicles with 70, 90, and 125 nm diameters were directly measured with 2D IR vibrational echo spectroscopy. The antisymmetric CO stretch of tungsten hexacarbonyl was used as a vibrational probe and provided information on spectral diffusion (structural dynamics) in the alkyl region of the bilayers. Although the CO stretch absorption spectra remain the same, the interior structural dynamics become faster as the size of the vesicles decrease, with the size dependence greater for dipalmitoylphosphatidylcholine than for DLPC. As DLPC vesicles become larger, the interior dynamics approach those of the planar bilayer. PMID:24395796

  17. Ribonuclease S dynamics measured using a nitrile label with 2D IR vibrational echo spectroscopy.

    Science.gov (United States)

    Bagchi, Sayan; Boxer, Steven G; Fayer, Michael D

    2012-04-05

    A nitrile-labeled amino acid, p-cyanophenylalanine, is introduced near the active site of the semisynthetic enzyme ribonuclease S to serve as a probe of protein dynamics and fluctuations. Ribonuclease S is the limited proteolysis product of subtilisin acting on ribonuclease A, and consists of a small fragment including amino acids 1-20, the S-peptide, and a larger fragment including residues 21-124, the S-protein. A series of two-dimensional vibrational echo experiments performed on the nitrile-labeled S-peptide and the RNase S are described. The time-dependent changes in the two-dimensional infrared vibrational echo line shapes are analyzed using the center line slope method to obtain the frequency-frequency correlation function (FFCF). The observations show that the nitrile probe in the S-peptide has dynamics that are similar to, but faster than, those of the single amino acid p-cyanophenylalanine in water. In contrast, the dynamics of the nitrile label when the peptide is bound to form ribonuclease S are dominated by homogeneous dephasing (motionally narrowed) contributions with only a small contribution from very fast inhomogeneous structural dynamics. The results provide insights into the nature of the structural dynamics of the ribonuclease S complex. The equilibrium dynamics of the nitrile labeled S-peptide and the ribonuclease S complex are also investigated by molecular dynamics simulations. The experimentally determined FFCFs are compared to the FFCFs obtained from the molecular dynamics simulations, thereby testing the capacity of simulations to determine the amplitudes and time scales of protein structural fluctuations on fast time scales under thermal equilibrium conditions.

  18. Coupled rotor/fuselage dynamic analysis of the AH-1G helicopter and correlation with flight vibrations data

    Science.gov (United States)

    Corrigan, J. C.; Cronkhite, J. D.; Dompka, R. V.; Perry, K. S.; Rogers, J. P.; Sadler, S. G.

    1989-01-01

    Under a research program designated Design Analysis Methods for VIBrationS (DAMVIBS), existing analytical methods are used for calculating coupled rotor-fuselage vibrations of the AH-1G helicopter for correlation with flight test data from an AH-1G Operational Load Survey (OLS) test program. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM), which has been developed, extensively documented, and correlated with ground vibration test. One procedure that was used for predicting coupled rotor-fuselage vibrations using the advanced Rotorcraft Flight Simulation Program C81 and NASTRAN is summarized. Detailed descriptions of the analytical formulation of rotor dynamics equations, fuselage dynamic equations, coupling between the rotor and fuselage, and solutions to the total system of equations in C81 are included. Analytical predictions of hub shears for main rotor harmonics 2p, 4p, and 6p generated by C81 are used in conjunction with 2p OLS measured control loads and a 2p lateral tail rotor gearbox force, representing downwash impingement on the vertical fin, to excite the NASTRAN model. NASTRAN is then used to correlate with measured OLS flight test vibrations. Blade load comparisons predicted by C81 showed good agreement. In general, the fuselage vibration correlations show good agreement between anslysis and test in vibration response through 15 to 20 Hz.

  19. Vibrational characteristics of diethyltoluenediamines (DETDA) functionalized carbon nanotubes using molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ajori, S., E-mail: Shahram_ajori1366@yahoo.com; Ansari, R., E-mail: r_ansari@guilan.ac.ir

    2015-02-15

    Functionalization of carbon nanotubes (CNTs) can be viewed as an important process by which the dispersion and solubility of CNTs in the matrices of nanocomposites are improved. Covalent functionalization can affect the mechanical behavior of CNTs. In this paper, the vibrational behavior of diethyltoluenediamines (DETDA) functionalized CNTs is investigated utilizing molecular dynamics simulations in canonical ensemble at room temperature. The models of simulations are divided into two categories of functionalized CNTs with regular and random distributions of DETDA polymers. The results demonstrate that natural frequency of functionalized CNTs is lower than that of pristine ones. Also, it is observed that buckling phenomenon occurs during vibration for functionalized CNTs with regular distribution of polymers. It is further observed that polymer mass and van der Waals (vdW) forces are responsible for frequency changes in functionalized CNTs with random and regular distribution patterns of CNTs, respectively.

  20. Vibrational characteristics of diethyltoluenediamines (DETDA) functionalized carbon nanotubes using molecular dynamics simulations

    Science.gov (United States)

    Ajori, S.; Ansari, R.

    2015-02-01

    Functionalization of carbon nanotubes (CNTs) can be viewed as an important process by which the dispersion and solubility of CNTs in the matrices of nanocomposites are improved. Covalent functionalization can affect the mechanical behavior of CNTs. In this paper, the vibrational behavior of diethyltoluenediamines (DETDA) functionalized CNTs is investigated utilizing molecular dynamics simulations in canonical ensemble at room temperature. The models of simulations are divided into two categories of functionalized CNTs with regular and random distributions of DETDA polymers. The results demonstrate that natural frequency of functionalized CNTs is lower than that of pristine ones. Also, it is observed that buckling phenomenon occurs during vibration for functionalized CNTs with regular distribution of polymers. It is further observed that polymer mass and van der Waals (vdW) forces are responsible for frequency changes in functionalized CNTs with random and regular distribution patterns of CNTs, respectively.

  1. Influence of intra-pigment vibrations on dynamics of photosynthetic exciton

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yoshihiro, E-mail: sato.yoshihiro77@nihon-u.ac.jp, E-mail: ysato.colby@gmail.com; Doolittle, Brian [Department of Physics and Astronomy, Colby College, Waterville, Maine 04901 (United States)

    2014-11-14

    We have numerically investigated the effect of an underdamped intra-pigment vibrational mode on an exciton's quantum coherence and energy transfer efficiency. Our model describes a bacteriochlorophyll a pigment-protein dimer under the conditions at which photosynthetic energy transfer occurs. The dimer is modeled using a theoretical treatment of a vibronic exciton, and its dynamics are numerically analyzed using a non-Markovian and non-perturbative method. We examined the system's response to various values of the Huang-Rhys factor, site energy difference, reorganization energy, and reorganization energy difference. We found that the inclusion of the intra-pigment vibronic mode allows for long-lived oscillatory quantum coherences to occur. This excitonic coherence is robust against static site-energy disorder. The vibrational mode also promotes exciton transfer along the site-energy landscape thus improving the overall energy transfer efficiency.

  2. Vibrational dynamics resolved with sub-10-fs deep-ultraviolet pulses

    Directory of Open Access Journals (Sweden)

    Kobayashi T.

    2013-03-01

    Full Text Available Time-resolved ultrafast spectroscopy with sub-10-fs deep ultraviolet pulses was demonstrated for the first time. For the spectroscopy, the sub-10-fs pulses with smooth temporal and spectral profiles, which were suitable for spectroscopy, were prepared via the method of the broadband chirped-pulse four-wave mixing. The vibrational and electronically excited state dynamics in the aqueous solution of thymine were investigated with a sub-10-fs resolution. Vibrational wavepackets originating from the electronically excited state and ground state were observed simultaneously. Through this research, it was shown that the sub-10-fs pulses were successfully applied to the ultrafast spectroscopy, opening the door to the new research activity of ultrafast spectroscopy with a sub-10-fs time resolution in the deep ultraviolet.

  3. Nonlocal strain gradient theory calibration using molecular dynamics simulation based on small scale vibration of nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Mehralian, Fahimeh [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Tadi Beni, Yaghoub, E-mail: tadi@eng.sku.ac.ir [Faculty of Engineering, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Karimi Zeverdejani, Mehran [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of)

    2017-06-01

    Featured by two small length scale parameters, nonlocal strain gradient theory is utilized to investigate the free vibration of nanotubes. A new size-dependent shell model formulation is developed by using the first order shear deformation theory. The governing equations and boundary conditions are obtained using Hamilton's principle and solved for simply supported boundary condition. As main purpose of this study, since the values of two small length scale parameters are still unknown, they are calibrated by the means of molecular dynamics simulations (MDs). Then, the influences of different parameters such as nonlocal parameter, scale factor, length and thickness on vibration characteristics of nanotubes are studied. It is also shown that increase in thickness and decrease in length parameters intensify the effect of nonlocal parameter and scale factor.

  4. Nonlocal continuum model and molecular dynamics for free vibration of single-walled carbon nanotubes.

    Science.gov (United States)

    Hu, Yan-Gao; Liew, K M; Wang, Q

    2011-12-01

    Free transverse, longitudinal and torsional vibrations of single-walled carbon nanotubes (SWCNTs) are investigated through nonlocal beam model, nonlocal rod model and verified by molecular dynamics (MD) simulations. The nonlocal Timoshenko beam model offers a better prediction of the fundamental frequencies of shorter SWCNTs, such as a (5, 5) SWCNT shorter than 3.5 nm, than local beam models. The nonlocal rod model is employed to study the longitudinal and torsional vibrations of SWCNT and found to enable a good prediction of the MD results for shorter SWCNTs. Nonlocal and local continuum models provide a good agreement with MD results for relatively longer SWCNTs, such as (5, 5) SWCNTs longer than 3.5 nm. The scale parameter in nonlocal beam and rod models is estimated by calibrations from MD results.

  5. Dynamic Characteristics of a Tall Building Identified from Earthquake and Ambient Vibration Records

    Directory of Open Access Journals (Sweden)

    Andone Cristian

    2015-12-01

    Full Text Available The paper presents the modal characteristics of a tall building in Bucharest (BRD-SG Tower identified from earthquake and ambient vibration records. The building was built in the early 2000’s and has a reinforced concrete structure (inner shear wall tube and perimeter frames with 3 underground stories, ground floor and 18 stories. The seismic instrumentation of the building consists of a seismic station with two triaxial acceleration sensors located at the top of the building (+69.6 m and at the third basement (−9.3 m. The dynamic characteristics of the building are estimated from the seismic records from 23 earthquakes (with moment magnitudes MW between 3.7 and 6.0 that occurred during the period 2004÷2010. The results obtained from the earthquake records are compared with those obtained from 35 ambient vibration records from the period 2003 ÷ 2010.

  6. On the vibrational behavior of graphynes and its family: a molecular dynamics investigation

    Energy Technology Data Exchange (ETDEWEB)

    Rouhi, S.; Salmalian, K., E-mail: s_rouhi@iaul.ac.ir [Young Researchers Club, Langroud Branch, Islamic Azad University, Langroud, Guilan (Iran, Islamic Republic of); Ghasemi, A. [Young Researchers and Elite Club, Science and Research Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of)

    2015-10-01

    Molecular dynamics (MD) simulation is used to investigate the vibrational behavior of γ-graphyne and its family. Five different nanosheet types including graphyne, graphdiyne, 3-graphyne, 4-graphyne, and 5-graphyne are considered for investigation. The fundamental natural frequencies of armchair and zigzag nanosheets with different geometrical sizes under different boundary conditions are computed. It is shown that increasing the size of γ-graphyne results in decreasing the natural frequency. Comparing the vibrational behavior of armchair and zigzag nanosheets, it is shown that for large nanosheets, the effect of atomic structure on the fundamental natural frequency can be neglected. Besides, it is represented that increasing the number of acetylene links connecting neighboring hexagons in the structure of nanosheets leads to decreasing the frequency. (author)

  7. INTRODUCTION: Surface Dynamics, Phonons, Adsorbate Vibrations and Diffusion

    Science.gov (United States)

    Bruch, L. W.

    2004-07-01

    well infrared photodetectors (QWIPs) and resonant cavity-enhanced photodiodes (RCEPDs) based on dilute nitrides need to be investigated extensively. To date, most theoretical attention has been focused on understanding the band structure of the GaInAsN/GaAs system and on evaluating gain spectra and threshold conditions for 1.3 µm lasers. However, as our understanding of band structure and the effects of strain, defects, etc in dilute nitrides improves we can calculate the electrical and optical properties, including radiative and non-radiative recombination for the materials and structures of interest. The spontaneous and stimulated emission rates have already been calculated for GaInNAs at 1.3 µm by many authors, but extension to other dilute nitrides and other wavelength ranges still represents a major challenge. Many-body effects, including exchange-correlation effects, are essential for accurate models of gain spectra in lasers and optical amplifiers. The differential gain is a key parameter for laser modulation and remains an important subject of study as new materials and structures are explored. Similarly the differential refractive index and linewidth enhancement factor have strong influences on laser spectrum (chirp, linewidth), dynamics and noise, and these must also be studied theoretically. As regards to non-radiative recombination, in addition to recombination through defects, the Auger effect is of especial significance for wavelengths beyond 1 µm and is a worthy subject for theoretical study. The converse effect, impact ionization, is of key importance for avalanche photodiodes (APDs) and has yet to be evaluated for the dilute nitride materials. Inter-valence band absorption (IVBA) is of significance, as a possible cause of temperature sensitivity in lasers and this must be investigated theoretically in the dilute nitrides. Third-order non-linear optical coefficients should be calculated in order to assess the scope for all-optical signal processing

  8. Vibrational dynamics of thiocyanate and selenocyanate bound to horse heart myoglobin

    Energy Technology Data Exchange (ETDEWEB)

    Maj, Michał; Oh, Younjun; Park, Kwanghee; Lee, Jooyong; Cho, Minhaeng, E-mail: mcho@korea.ac.kr [Department of Chemistry, Korea University, Seoul 136-713 (Korea, Republic of); Kwak, Kyung-Won [Department of Chemistry, Chung-Ang University, Seoul 156-756, SouthKorea (Korea, Republic of)

    2014-06-21

    The structure and vibrational dynamics of SCN- and SeCN-bound myoglobin have been investigated using polarization-controlled IR pump-probe measurements and quantum chemistry calculations. The complexes are found to be in low and high spin states, with the dominant contribution from the latter. In addition, the Mb:SCN high spin complex exhibits a doublet feature in the thiocyanate stretch IR absorption spectra, indicating two distinct molecular conformations around the heme pocket. The binding mode of the high spin complexes was assigned to occur through the nitrogen atom, contrary to the binding through the sulfur atom that was observed in myoglobin derived from Aplysia Limacina. The vibrational energy relaxation process has been found to occur substantially faster than those of free SCN{sup −} and SeCN{sup −} ions and neutral SCN- and SeCN-derivatized molecules reported previously. This supports the N-bound configurations of MbNCS and MbNCSe, because S- and Se-bound configurations are expected to have significantly long lifetimes due to the insulation effect by heavy bridge atom like S and Se in such IR probes. Nonetheless, even though their lifetimes are much shorter than those of corresponding free ions in water, the vibrational lifetimes determined for MbNCS and MbNCSe are still fairly long compared to those of azide and cyanide myoglobin systems studied before. Thus, thiocyanate and selenocyanate can be good local probes of local electrostatic environment in the heme pocket. The globin dependence on binding mode and vibrational dynamics is also discussed.

  9. Vibrational dynamics of thiocyanate and selenocyanate bound to horse heart myoglobin

    Science.gov (United States)

    Maj, Michał; Oh, Younjun; Park, Kwanghee; Lee, Jooyong; Kwak, Kyung-Won; Cho, Minhaeng

    2014-06-01

    The structure and vibrational dynamics of SCN- and SeCN-bound myoglobin have been investigated using polarization-controlled IR pump-probe measurements and quantum chemistry calculations. The complexes are found to be in low and high spin states, with the dominant contribution from the latter. In addition, the Mb:SCN high spin complex exhibits a doublet feature in the thiocyanate stretch IR absorption spectra, indicating two distinct molecular conformations around the heme pocket. The binding mode of the high spin complexes was assigned to occur through the nitrogen atom, contrary to the binding through the sulfur atom that was observed in myoglobin derived from Aplysia Limacina. The vibrational energy relaxation process has been found to occur substantially faster than those of free SCN- and SeCN- ions and neutral SCN- and SeCN-derivatized molecules reported previously. This supports the N-bound configurations of MbNCS and MbNCSe, because S- and Se-bound configurations are expected to have significantly long lifetimes due to the insulation effect by heavy bridge atom like S and Se in such IR probes. Nonetheless, even though their lifetimes are much shorter than those of corresponding free ions in water, the vibrational lifetimes determined for MbNCS and MbNCSe are still fairly long compared to those of azide and cyanide myoglobin systems studied before. Thus, thiocyanate and selenocyanate can be good local probes of local electrostatic environment in the heme pocket. The globin dependence on binding mode and vibrational dynamics is also discussed.

  10. Vibrational dynamics of the bifluoride ion. III. F-F (ν1) eigenstates and vibrational intensity calculations

    Science.gov (United States)

    Epa, V. C.; Thorson, W. R.

    1990-09-01

    This paper concludes a theoretical study of vibrational dynamics in the bifluoride ion FHF-, which exhibits strongly anharmonic and coupled motions. Two previous papers have described an extended model potential surface for the system, developed a scheme for analysis based on a zero-order adiabatic separation of the proton bending and stretching motions (ν2,ν3) from the slower F-F symmetric-stretch motion (ν1), and presented results of accurate calculations of the adiabatic protonic eigenstates. Here the ν1 motion has been treated, in adiabatic approximation and also including nonadiabatic couplings in close-coupled calculations with up to three protonic states (channels). States of the system involving more than one quantum of protonic excitation (e.g., 2ν2, 2ν3 σg states; 3ν2, ν2+2ν3 πu states; ν3+2ν2, 3ν3 σu states) exhibit strong mixing at avoided crossings of protonic levels, and these effects are discussed in detail. Dipole matrix elements and relative intensities for vibrational transitions have been computed with an electronic dipole moment function based on ab initio calculations for an extended range of geometries. Frequencies, relative IR intensities and other properties of interest are compared with high resolution spectroscopic data for the gas-phase free ion and with the IR absorption spectra of KHF2(s) and NaHF2(s). Errors in the ab initio potential surface yield fundamental frequencies ν2 and ν3 100-250 cm-1 higher than those observed in either the free ion or the crystalline solids, but these differences are consistent and an unambiguous assignment of essentially all transitions in the IR spectrum of KHF2 is made. Calculated relative intensities for stretching mode (ν3, σu symmetry) transitions agree well with those observed in both KHF2 [e.g., bands (ν3+nν1), (ν3+2ν2), (3ν3), etc.] and the free ion (ν3,ν3+ν1). Calculated intensities for bending mode (ν2, πu symmetry) transitions agree well with experiment for the ν2

  11. Vibrational dynamics and band structure of methyl-terminated Ge(111)

    Energy Technology Data Exchange (ETDEWEB)

    Hund, Zachary M.; Nihill, Kevin J.; Sibener, S. J., E-mail: s-sibener@uchicago.edu [The James Franck Institute and Department of Chemistry, The University of Chicago, 929 E. 57" t" h Street, Chicago, Illinois 60637 (United States); Campi, Davide; Bernasconi, M. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Wong, Keith T.; Lewis, Nathan S. [Division of Chemistry and Chemical Engineering, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 210 Noyes Laboratory, 127-72, Pasadena, California 91125 (United States); Benedek, G. [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Donostia International Physics Center (DIPC), Universidad del País Vasco (EHU), 20018 Donostia/San Sebastian (Spain)

    2015-09-28

    A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge(111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge(111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD{sub 3}-Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH{sub 3}-Ge(111) and CH{sub 3}-Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers.

  12. Dynamics modeling and vibration analysis of a piezoelectric diaphragm applied in valveless micropump

    Science.gov (United States)

    He, Xiuhua; Xu, Wei; Lin, Nan; Uzoejinwa, B. B.; Deng, Zhidan

    2017-09-01

    This paper presents the dynamical model involved with load of fluid pressure, electric-solid coupling simulation and experimental performance of the piezoelectric diaphragm fabricated and applied in valveless micropump. The model is based on the theory of plate-shell with small deflection, considering the two-layer structure of piezoelectric ceramic and elastic substrate. The high-order non-homogeneous vibration equation of the piezoelectric diaphragm, derived in the course of the study, was solved by being divided into a homogeneous Bessel equation and a non-homogeneous static equation according to the superposition principle. The amplitude of the piezoelectric diaphragm driven by sinusoidal voltage against the load of fluid pressure was obtained from the solution of the vibration equation. Also, finite element simulation of electric-solid coupling between displacement of piezoelectric diaphragm due to an applied voltage and resulting deformation of membrane was considered. The simulation result showed that the maximum deflection of diaphragm is 9.51 μm at a quarter cycle time when applied a peak-to-peak voltage of 150VP-P with a frequency of 90 Hz, and the displacement distribution according to the direction of the radius was demonstrated. Experiments were performed to verify the prediction of the dynamic modeling and the coupling simulation, the experimental data showed a good agreement with the dynamical model and simulation.

  13. Dynamic Finite Element Analysis of Extensional-Torsional Coupled Vibration in Nonuniform Composite Beams

    Science.gov (United States)

    Hashemi, Seyed M.; Roach, Andrew

    2011-12-01

    The application of a Dynamic Finite Element (DFE) technique to the extensional-torsional free vibration analysis of nonuniform composite beams, in the absence of flexural coupling, is presented. The proposed method is a fusion of the Galerkin weighted residual formulation and the Dynamic Stiffness Matrix (DSM) method, where the basis functions of approximation space are assumed to be the closed form solutions of the differential equations governing uncoupled extensional and torsional vibrations of the beam. The use of resulting dynamic trigonometric interpolation (shape) functions leads to a frequency dependent stiffness matrix, representing both mass and stiffness properties of the beam element. Assembly of the element matrices and the application of the boundary conditions then leads to a frequency dependent nonlinear eigenproblem, which is solved to evaluate the system natural frequencies and modes. Two illustrative examples of uniform and tapered cantilevered, Circumferentially Uniform Stiffness ( CUS), hollow, composite beams are presented. The influence of ply fibre-angle on the natural frequencies is also studied. The correctness of the theory and the superiority of the proposed DFE over the contrasting DSM and conventional FEM methods are confirmed by the published results and numerical checks. The discussion of results is followed by some concluding remarks.

  14. Mastoid vibration affects dynamic postural control during gait in healthy older adults

    Science.gov (United States)

    Chien, Jung Hung; Mukherjee, Mukul; Kent, Jenny; Stergiou, Nicholas

    2017-01-01

    Vestibular disorders are difficult to diagnose early due to the lack of a systematic assessment. Our previous work has developed a reliable experimental design and the result shows promising results that vestibular sensory input while walking could be affected through mastoid vibration (MV) and changes are in the direction of motion. In the present paper, we wanted to extend this work to older adults and investigate how manipulating sensory input through mastoid vibration (MV) could affect dynamic postural control during walking. Three levels of MV (none, unilateral, and bilateral) applied via vibrating elements placed on the mastoid processes were combined with the Locomotor Sensory Organization Test (LSOT) paradigm to challenge the visual and somatosensory systems. We hypothesized that the MV would affect sway variability during walking in older adults. Our results revealed that MV significantly not only increased the amount of sway variability but also decreased the temporal structure of sway variability only in anterior-posterior direction. Importantly, the bilateral MV stimulation generally produced larger effects than the unilateral. This is an important finding that confirmed our experimental design and the results produced could guide a more reliable screening of vestibular system deterioration.

  15. Vibrational dynamics of the bifluoride ion. I. Construction of a model potential surface

    Science.gov (United States)

    Epa, V. C.; Choi, J. H.; Klobukowski, M.; Thorson, W. R.

    1990-01-01

    Construction of an extended model potential surface for the bifluoride ion [FHF-] is described, based on ab initio calculations for the free ion at the CID (configuration interaction, double replacement) level with a Huzinaga-Dunning double-zeta basis set. 710 data points were generated, for displacements in the three noncyclic vibrational coordinates exploring the potential surface to a height at least 30 000 cm-1 above its minimum, and giving a realistic account of the dissociation into HF+F-. Analogous calculations were made for HF and F- using the same basis. The predicted hydrogen bond energy (De) is 48.13 kcal/mol, with equilibrium F-F separation Re =4.2905 a.u., in good agreement with other recent calculations. A model potential has been constructed, based on a superposition of Morse potentials associated with each H-F distance plus a fairly structureless correction function expressible as a 36-term least-squares polynomial in the prolate spheroidal coordinates used to describe vibrational displacements. The resulting model surface fits all 710 ab initio data points with an r.m.s. deviation of 65.6 cm-1, and points less than 15 000 cm-1 above the minimum with a deviation of 26.3 cm-1. This surface provides the basis for a series of vibrational dynamics studies on the FHF- system being done in this laboratory.

  16. Ground-borne vibrations due to dynamic loadings from moving trains in subway tunnels

    Institute of Scientific and Technical Information of China (English)

    Xue-cheng BIAN; Wan-feng JIN; Hong-guang JIANG

    2012-01-01

    In this study,ground vibrations due to dynamic loadings from trains moving in subway tunnels were investigated using a 2.5D finite element model of an underground tunnel and surrounding soil interactions.In our model,wave propagation in the infinitely extended ground is dealt with using a simple,yet efficient gradually damped artificial boundary.Based on the assumption of invariant geometry and material distribution in the tunnel's direction,the Fourier transform of the spatial dimension in this direction is applied to represent the waves in terms of the wave-number.Finite element discretization is employed in the cross-section perpendicular to the tunnel direction and the governing equations are solved for every discrete wave-number.The 3D ground responses are calculated from the wave-number expansion by employing the inverse Fourier transform.The accuracy of the proposed analysis method is verified by a semi-analytical solution of a rectangular load moving inside a soil stratum.A case study of subway train induced ground vibration is presented and the dependency of wave attenuation at the ground surface on the vibration frequency of the moving load is discussed.

  17. Mastoid vibration affects dynamic postural control during gait in healthy older adults

    Science.gov (United States)

    Chien, Jung Hung; Mukherjee, Mukul; Kent, Jenny; Stergiou, Nicholas

    2017-01-01

    Vestibular disorders are difficult to diagnose early due to the lack of a systematic assessment. Our previous work has developed a reliable experimental design and the result shows promising results that vestibular sensory input while walking could be affected through mastoid vibration (MV) and changes are in the direction of motion. In the present paper, we wanted to extend this work to older adults and investigate how manipulating sensory input through mastoid vibration (MV) could affect dynamic postural control during walking. Three levels of MV (none, unilateral, and bilateral) applied via vibrating elements placed on the mastoid processes were combined with the Locomotor Sensory Organization Test (LSOT) paradigm to challenge the visual and somatosensory systems. We hypothesized that the MV would affect sway variability during walking in older adults. Our results revealed that MV significantly not only increased the amount of sway variability but also decreased the temporal structure of sway variability only in anterior-posterior direction. Importantly, the bilateral MV stimulation generally produced larger effects than the unilateral. This is an important finding that confirmed our experimental design and the results produced could guide a more reliable screening of vestibular system deterioration. PMID:28128341

  18. Communication: Uncovering correlated vibrational cooling and electron transfer dynamics with multidimensional spectroscopy

    Science.gov (United States)

    Guo, Zhenkun; Giokas, Paul G.; Cheshire, Thomas P.; Williams, Olivia F.; Dirkes, David J.; You, Wei; Moran, Andrew M.

    2016-09-01

    Analogues of 2D photon echo methods in which two population times are sampled have recently been used to expose heterogeneity in chemical kinetics. In this work, the two population times sampled for a transition metal complex are transformed into a 2D rate spectrum using the maximum entropy method. The 2D rate spectrum suggests heterogeneity in the vibrational cooling (VC) rate within the ensemble. In addition, a cross peak associated with VC and back electron transfer (BET) dynamics reveals correlation between the two processes. We hypothesize that an increase in the strength of solute-solvent interactions, which accelerates VC, drives the system toward the activationless regime of BET.

  19. A time-resolved infrared vibrational spectroscopic study of the photo-dynamics of crystalline materials.

    Science.gov (United States)

    Towrie, Mike; Parker, Anthony W; Ronayne, Kate L; Bowes, Katharine F; Cole, Jacqueline M; Raithby, Paul R; Warren, John E

    2009-01-01

    Time-resolved infrared vibrational spectroscopy is a structurally sensitive probe of the excited-state properties of matter. The technique has found many applications in the study of molecules in dilute solution phase but has rarely been applied to crystalline samples. We report on the use of a sensitive pump-probe time-resolved infrared spectrometer and sample handling techniques for studies of the ultrafast excited-state dynamics of crystalline materials. The charge transfer excited states of crystalline metal carbonyls and the proton transfer of dihydroxyquinones are presented and compared with the solution phase.

  20. The short-time intramolecular dynamics of solutes in liquids. II. Vibrational population relaxation

    Science.gov (United States)

    Goodyear, Grant; Stratt, Richard M.

    1997-08-01

    Events such as the vibrational relaxation of a solute are often well described by writing an effective equation of motion—a generalized Langevin equation—which expresses the surrounding medium's influence on the intramolecular dynamics in terms of a friction and a fluctuating force acting on the solute. These quantities, though, can be obtained from the instantaneous normal modes (INMs) of the system when the relaxation takes place in a fluid, suggesting that we should be able to analyze in some detail the solvent motions driving the relaxation, at least for short times. In this paper we show that this promise can indeed be realized for the specific case of a vibrating diatomic molecule dissolved in an atomic solvent. Despite the relatively long times typical of vibrational population relaxation, it turns out that understanding the behavior of the vibrational friction at the short times appropriate to INMs (a few hundred femtoseconds) often suffices to predict T1 times. We use this observation to probe the dependence of these relaxation rates on thermodynamic conditions and to look at the molecular mechanisms underlying the process. We find that raising the temperature at any given density or raising the density at any given temperature will invariably increase the rate of energy relaxation. However, since these two trends may be in conflict in a typical constant-pressure laboratory experiment, we also find that it is possible to make sense of the "anomalous" inverted temperature dependence recently seen experimentally. We find, as well, that the INM theory—which has no explicit collisions built into it—predicts exactly the same density dependence as the venerable independent-binary-collision (IBC) theory (an intriguing result in view of recent claims that experimental observations of this kind of dependence provide support for the IBC theory). The actual mechanisms behind vibrational population relaxation are revealed by looking in detail at the

  1. Vibrational dynamics (IR, Raman, NRVS) and DFT study of new antitumor tetranuclearstannoxanecluster, Sn(IV)$-$oxo$-${di$-$o$-$vanillin} dimethyl dichloride

    Energy Technology Data Exchange (ETDEWEB)

    Arjmand, F. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Sharma, S. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Usman, M. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry; Leu, B. M. [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Hu, M. Y. [Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Toupet, L. [Univ. de Rennes, Rennes (France). Inst. de Physique de Rennes; Gosztola, David J. [Argonne National Lab. (ANL), Argonne, IL (United States). Center for Nanoscale Materials; Tabassum, S. [Aligarh Muslim Univ., Aligarh (India). Dept. of Chemistry

    2016-06-21

    The vibrational dynamics of a newly synthesized tetrastannoxane was characterized with a combination of experimental (Raman, IR and tin-based nuclear resonance vibrational spectroscopy) and computational (DFT/B3LYP) methods, with an emphasis on the vibrations of the tin sites. The cytotoxic activity revealed a significant regression selectively against the human pancreatic cell lines.

  2. Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study

    Energy Technology Data Exchange (ETDEWEB)

    Saalfrank, Peter [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam (Germany); Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Juaristi, J. I. [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20018 Donostia-San Sebastián (Spain); Alducin, M.; Muiño, R. Díez [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián (Spain); Blanco-Rey, M. [Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián (Spain); Departamento de Física de Materiales, Facultad de Químicas UPV/EHU, Apartado 1072, 20018 Donostia-San Sebastián (Spain)

    2014-12-21

    Using density functional theory and Ab Initio Molecular Dynamics with Electronic Friction (AIMDEF), we study the adsorption and dissipative vibrational dynamics of hydrogen atoms chemisorbed on free-standing lead films of increasing thickness. Lead films are known for their oscillatory behaviour of certain properties with increasing thickness, e.g., energy and electron spillout change in discontinuous manner, due to quantum size effects [G. Materzanini, P. Saalfrank, and P. J. D. Lindan, Phys. Rev. B 63, 235405 (2001)]. Here, we demonstrate that oscillatory features arise also for hydrogen when chemisorbed on lead films. Besides stationary properties of the adsorbate, we concentrate on finite vibrational lifetimes of H-surface vibrations. As shown by AIMDEF, the damping via vibration-electron hole pair coupling dominates clearly over the vibration-phonon channel, in particular for high-frequency modes. Vibrational relaxation times are a characteristic function of layer thickness due to the oscillating behaviour of the embedding surface electronic density. Implications derived from AIMDEF for frictional many-atom dynamics, and physisorbed species will also be given.

  3. Relaxation dynamics in quantum dissipative systems: The microscopic effect of intramolecular vibrational energy redistribution

    Energy Technology Data Exchange (ETDEWEB)

    Uranga-Piña, L. [Facultad de Física, Universidad de la Habana, San Lázaro y L, Vedado, 10400 Havana (Cuba); Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany); Tremblay, J. C., E-mail: jean.c.tremblay@gmail.com [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

    2014-08-21

    We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It

  4. Relaxation dynamics in quantum dissipative systems: the microscopic effect of intramolecular vibrational energy redistribution.

    Science.gov (United States)

    Uranga-Piña, L; Tremblay, J C

    2014-08-21

    We investigate the effect of inter-mode coupling on the vibrational relaxation dynamics of molecules in weak dissipative environments. The simulations are performed within the reduced density matrix formalism in the Markovian regime, assuming a Lindblad form for the system-bath interaction. The prototypical two-dimensional model system representing two CO molecules approaching a Cu(100) surface is adapted from an ab initio potential, while the diatom-diatom vibrational coupling strength is systematically varied. In the weak system-bath coupling limit and at low temperatures, only first order non-adiabatic uni-modal coupling terms contribute to surface-mediated vibrational relaxation. Since dissipative dynamics is non-unitary, the choice of representation will affect the evolution of the reduced density matrix. Two alternative representations for computing the relaxation rates and the associated operators are thus compared: the fully coupled spectral basis, and a factorizable ansatz. The former is well-established and serves as a benchmark for the solution of Liouville-von Neumann equation. In the latter, a contracted grid basis of potential-optimized discrete variable representation is tailored to incorporate most of the inter-mode coupling, while the Lindblad operators are represented as tensor products of one-dimensional operators, for consistency. This procedure results in a marked reduction of the grid size and in a much more advantageous scaling of the computational cost with respect to the increase of the dimensionality of the system. The factorizable method is found to provide an accurate description of the dissipative quantum dynamics of the model system, specifically of the time evolution of the state populations and of the probability density distribution of the molecular wave packet. The influence of intra-molecular vibrational energy redistribution appears to be properly taken into account by the new model on the whole range of coupling strengths. It

  5. Dynamic structure factor of vibrating fractals: Proteins as a case study

    Science.gov (United States)

    Reuveni, Shlomi; Klafter, Joseph; Granek, Rony

    2012-01-01

    We study the dynamic structure factor S(k,t) of proteins at large wave numbers k, kRg≫1, where Rg is the gyration radius. At this regime measurements are sensitive to internal dynamics, and we focus on vibrational dynamics of folded proteins. Exploiting the analogy between proteins and fractals, we perform a general analytic calculation of the displacement two-point correlation functions, . We confront the derived expressions with numerical evaluations that are based on protein data bank (PDB) structures and the Gaussian network model (GNM) for a few proteins and for the Sierpinski gasket as a controlled check. We use these calculations to evaluate S(k,t) with arrested rotational and translational degrees of freedom, and show that the decay of S(k,t) is dominated by the spatially averaged mean-square displacement of an amino acid. The latter has been previously shown to evolve subdiffusively in time, ˜tν, where ν is the anomalous diffusion exponent that depends on the spectral dimension ds and fractal dimension df. As a result, for wave numbers obeying k2≳1, S(k,t) effectively decays as a stretched exponential S(k,t)≃S(k)e-(Γkt)β with β≃ν, where the relaxation rate is Γk˜(kBT/mωo2)1/βk2/β, T is the temperature, and mωo2 the GNM effective spring constant describing the interaction between neighboring amino acids. The static structure factor is dominated by the fractal character of the native fold, S(k)˜k-df, with negligible to marginal influence of vibrations. The analytical expressions are first confronted with numerically based calculations on the Sierpinski gasket, and very good agreement is found between simulations and theory. We then perform PDB-GNM-based numerical calculations for a few proteins, and an effective stretched exponential decay of the dynamic structure factor is found, albeit their relatively small size. However, when rotational and translational diffusion are added, we find that their contribution is never negligible due to

  6. Ultrafast electronic and vibrational dynamics in brominated aluminum corroles: Energy relaxation and triplet formation

    Directory of Open Access Journals (Sweden)

    T. Stensitzki

    2016-07-01

    Full Text Available We combined femtosecond (fs VIS pump–IR probe spectroscopy with fs VIS pump–supercontinuum probe spectroscopy to characterize the photoreaction of the hexacoordinated Al(tpfc-Br8(py2 in a comprehensive way. Upon fs excitation at ∼400 nm in the Soret band, the excitation energy relaxes with a time constant of (250 ± 80 fs to the S2 and S1 electronic excited states. This is evident from the rise time of the stimulated emission signal in the visible spectral range. On the same time scale, narrowing of broad infrared signals in the C=C stretching region around 1500 cm−1 is observed. Energy redistribution processes are visible in the vibrational and electronic dynamics with time constants between ∼2 ps and ∼20 ps. Triplet formation is detected with a time constant of (95 ± 3 ps. This is tracked by the complete loss of stimulated emission. Electronic transition of the emerging triplet absorption band overlaps considerably with the singlet excited state absorption. In contrast, two well separated vibrational marker bands for triplet formation were identified at 1477 cm−1 and at 1508 cm−1. These marker bands allow a precise identification of triplet dynamics in corrole systems.

  7. Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Deyne, Andy Van Yperen-De; Pauwels, Ewald; Ghysels, An; Waroquier, Michel; Van Speybroeck, Veronique; Hemelsoet, Karen, E-mail: karen.hemelsoet@ugent.be [Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium); De Meyer, Thierry [Center for Molecular Modeling (CMM), Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium); Department of Textiles, Ghent University, Technologiepark 907, 9052 Zwijnaarde (Belgium); De Clerck, Karen [Department of Textiles, Ghent University, Technologiepark 907, 9052 Zwijnaarde (Belgium)

    2014-04-07

    A Fourier-based method is presented to relate changes of the molecular structure during a molecular dynamics simulation with fluctuations in the electronic excitation energy. The method implies sampling of the ground state potential energy surface. Subsequently, the power spectrum of the velocities is compared with the power spectrum of the excitation energy computed using time-dependent density functional theory. Peaks in both spectra are compared, and motions exhibiting a linear or quadratic behavior can be distinguished. The quadratically active motions are mainly responsible for the changes in the excitation energy and hence cause shifts between the dynamic and static values of the spectral property. Moreover, information about the potential energy surface of various excited states can be obtained. The procedure is illustrated with three case studies. The first electronic excitation is explored in detail and dominant vibrational motions responsible for changes in the excitation energy are identified for ethylene, biphenyl, and hexamethylbenzene. The proposed method is also extended to other low-energy excitations. Finally, the vibrational fingerprint of the excitation energy of a more complex molecule, in particular the azo dye ethyl orange in a water environment, is analyzed.

  8. Dynamic response of electronic systems to shocks and vibrations: Application of analytical (mathematical modeling

    Directory of Open Access Journals (Sweden)

    Suhir E.

    2012-08-01

    Full Text Available Some basic problems of the dynamic response of electronic and photonic (E&P systems to shocks and vibrations are addressed and discussed. The emphasis is on analytical (mathematical modeling, the reliability physics behind the addressed phenomena, and design-for-reliability (DfR issues and challenges. The addressed problems include 1 linear response: effect of viscous damping, shock tests vs. drop tests, role of compliant interfaces, and maximum acceleration and maximum dynamic stress as a suitable reliability criterion; 2 nonlinear response: printed circuit board (PCB experiencing an impact load applied to its support contour and ball-grid-array (BGA testing on the board level; 3 shock protection of portable electronics, including the possible use of nano-wires as a suitable protective “cushion”. The fruitfulness of the probabilistic DfR (PDfR concept to quantify and assure the field (operational reliability of E&P devices and systems is also indicated.

  9. Dynamic Properties of the Painter Street Overpass at Different Levels of Vibration

    DEFF Research Database (Denmark)

    Ventura, C. E.; Brincker, Rune; Andersen, P.

    2005-01-01

    in California. Strong motion instruments were installed on the bridge in 1977, and since then it has recorded the motions from more than ten significant earthquakes. Because of the valuable amount of strong motion data available, the aim of the ambient vibration tests was to determine the dynamic...... from analyses of selected strong motion records. The magnitude of the events investigated ranges from ML=4.4 to ML=6.9, which produced accelerations of up to 0.54g at the free field site, 1.3g at the abutments, and 0.86g on the deck. The results of this study indicate that the overall dynamic...... properties of the bridge are very sensitive to the level of ground shaking and that soil-structure interaction is very important for this type structural system. Although the superstructure exhibited a nearly elastic response, the motions at the abutments and base of piers were significantly different...

  10. Fast and slow dynamics in a nonlinear elastic bar excited by longitudinal vibrations

    CERN Document Server

    Favrie, Nicolas; Payan, Cédric

    2014-01-01

    Heterogeneous materials, such as rocks and concrete, have a complex dynamics including hysteresis, nonlinear elasticity and viscoelasticity. It is very sensitive to microstructural changes and damage. The goal of this paper is to propose a physical model describing the longitudinal vibrations of this class of material, and to develop a numerical strategy for solving the evolution equations. The theory relies on the coupling between two processes with radically-different time scales: a fast process at the frequency of the excitation, governed by nonlinear elasticity and viscoelasticity; a slow process, governed by the evolution of defects. The evolution equations are written as a nonlinear hyperbolic system with relaxation. A time-domain numerical scheme is developed, based on a splitting strategy. The numerical simulations show qualitative agreement with the features observed experimentally by Dynamic Acousto-Elastic Testing.

  11. Nanoparticle monolayer-based flexible strain gauge with ultrafast dynamic response for acoustic vibration detection

    Institute of Scientific and Technical Information of China (English)

    Lizhi Yi[1; Weihong Jiao[1; Ke Wu[1; Lihua Qian[1; Xunxing Yu[2; Qi Xia[2; Kuanmin Mao[2; Songliu Yuan[1; Shuai Wang[3; Yingtao Jiang[4

    2015-01-01

    The relatively poor dynamic response of current flexible strain gauges has prevented their wide adoption in portable electronics. In this work, we present a greatly improved flexible strain gauge, where one strip of Au nanoparticle (NP) monolayer assembled on a polyethylene terephthalate film is utilized as the active unit. The proposed flexible gauge is capable of responding to applied stimuli without detectable hysteresis via electron tunneling between adjacent nanoparticles within the Au NP monolayer. Based on experimental quantification of the time and frequency domain dependence of the electrical resistance of the proposed strain gauge, acoustic vibrations in the frequency range of 1 to 20,000 Hz could be reliably detected. In addition to being used to measure musical tone, audible speech, and creature vocalization, as demonstrated in this study, the ultrafast dynamic response of this flexible strain gauge can be used in a wide range of applications, including miniaturized vibratory sensors, safe entrance guard management systems, and ultrasensitive pressure sensors.

  12. Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

    Science.gov (United States)

    Zhu, Bo; Zhao, Hongwei; Zhao, Dan; Zhang, Peng; Yang, Yihan; Han, Lei; Kui, Hailin

    2016-03-01

    It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM), especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD) model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM) potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

  13. Effects of vibration frequency on vibration-assisted nano-scratch process of mono-crystalline copper via molecular dynamics simulation

    Directory of Open Access Journals (Sweden)

    Bo Zhu

    2016-03-01

    Full Text Available It has always been a critical issue to understand the material removal behavior of Vibration-Assisted Machining (VAM, especially on atomic level. To find out the effects of vibration frequency on material removal response, a three-dimensional molecular dynamics (MD model has been established in this research to investigate the effects of scratched groove, crystal defects on the surface quality, comparing with the Von Mises shear strain and tangential force in simulations during nano-scratching process. Comparisons are made among the results of simulations from different vibration frequency with the same scratching feed, depth, amplitude and crystal orientation. Copper potential in this simulation is Embedded-Atom Method (EAM potential. Interaction between copper and carbon atoms is Morse potential. Simulational results show that higher frequency can make groove smoother. Simulation with high frequency creates more dislocations to improve the machinability of copper specimen. The changing frequency does not have evident effects on Von Mises shear strain. Higher frequency can decrease the tangential force to reduce the consumption of cutting energy and tool wear. In conclusion, higher vibration frequency in VAM on mono-crystalline copper has positive effects on surface finish, machinablility and tool wear reduction.

  14. Vibration Propagation of Gear Dynamics in a Gear-Bearing-Housing System Using Mathematical Modeling and Finite Element Analysis

    Science.gov (United States)

    Parker, Robert G.; Guo, Yi; Eritenel, Tugan; Ericson, Tristan M.

    2012-01-01

    Vibration and noise caused by gear dynamics at the meshing teeth propagate through power transmission components to the surrounding environment. This study is devoted to developing computational tools to investigate the vibro-acoustic propagation of gear dynamics through a gearbox using different bearings. Detailed finite element/contact mechanics and boundary element models of the gear/bearing/housing system are established to compute the system vibration and noise propagation. Both vibration and acoustic models are validated by experiments including the vibration modal testing and sound field measurements. The effectiveness of each bearing type to disrupt vibration propagation is speed-dependent. Housing plays an important role in noise radiation .It, however, has limited effects on gear dynamics. Bearings are critical components in drivetrains. Accurate modeling of rolling element bearings is essential to assess vibration and noise of drivetrain systems. This study also seeks to fully describe the vibro-acoustic propagation of gear dynamics through a power-transmission system using rolling element and fluid film wave bearings. Fluid film wave bearings, which have higher damping than rolling element bearings, could offer an energy dissipation mechanism that reduces the gearbox noise. The effectiveness of each bearing type to disrupt vibration propagation in explored using multi-body computational models. These models include gears, shafts, rolling element and fluid film wave bearings, and the housing. Radiated noise is mapped from the gearbox surface to surrounding environment. The effectiveness of rolling element and fluid film wave bearings in breaking the vibro-acoustic propagation path from the gear to the housing is investigated.

  15. INFLUENCE OF VIBRATIONS AND DYNAMIC CHARACTERIZATION OF THE HUMAN BODY GENERATED BY CARS

    Directory of Open Access Journals (Sweden)

    Bogdan Andrei BARBU

    2011-05-01

    Full Text Available Vibrations influence the human body in many different ways. The response to a vibration exposure is primarily dependent on the frequency, amplitude, and duration of exposure. This paper studies the influence of vibrations generated by automobiles on the human body, taking into account both amplitude and especially the frequency of these vibrations. Measurement of these vibrations was made through the acquisition of latest equipment by acquiring tridimensional signals.

  16. Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites

    CERN Document Server

    Leguy, Aurélien M A; Frost, Jarvist M; Skelton, Jonathan; Brivio, Federico; Rodríguez-Martínez, Xabier; Weber, Oliver J; Pallipurath, Anuradha; Alonso, M Isabel; Campoy-Quiles, Mariano; Weller, Mark T; Nelson, Jenny; Walsh, Aron; Barnes, Piers R F

    2016-01-01

    We present Raman and terahertz absorbance spectra of methylammonium lead halide single crystals (MAPbX3, X = I, Br, Cl) at temperatures between 80 and 370 K. These results show good agreement with density-functional-theory phonon calculations.1 Comparison of experimental spectra and calculated vibrational modes enables confident assignment of most of the vibrational features between 50 and 3500 cm-1. Reorientation of the methylammonium cations, unlocked in their cavities at the orthorhombic-to-tetragonal phase transition, plays a key role in shaping the vibrational spectra of the different compounds. Calculations show that these dynamics effects split Raman peaks and create more structure than predicted from the independent harmonic modes. This explains the presence of extra peaks in the experimental spectra that have been a source of confusion in earlier studies. We discuss singular features, in particular the torsional vibration of the C-N axis, which is the only molecular mode that is strongly influenced b...

  17. Vibration-vibration and vibration-translation energy transfer in H2-H2 collisions: a critical test of experiment with full-dimensional quantum dynamics.

    Science.gov (United States)

    dos Santos, S Fonseca; Balakrishnan, N; Forrey, R C; Stancil, P C

    2013-03-14

    Quantum scattering calculations of vibration-vibration (VV) and vibration-translation (VT) energy transfer for non-reactive H2-H2 collisions on a full-dimensional potential energy surface are reported for energies ranging from the ultracold to the thermal regime. The efficiency of VV and VT transfer is known to strongly correlate with the energy gap between the initial and final states. In H2(v = 1, j = 0) + H2(v = 0, j = 1) collisions, the inelastic cross section at low energies is dominated by a VV process leading to H2(v = 0, j = 0) + H2(v = 1, j = 1) products. At energies above the opening of the v = 1, j = 2 rotational channel, pure rotational excitation of the para-H2 molecule leading to the formation of H2(v = 1, j = 2) + H2(v = 0, j = 1) dominates the inelastic cross section. For vibrationally excited H2 in the v = 2 vibrational level colliding with H2(v = 0), the efficiency of both VV and VT process is examined. It is found that the VV process leading to the formation of 2H2(v = 1) molecules dominates over the VT process leading to H2(v = 1) + H2(v = 0) products, consistent with available experimental data, but in contrast to earlier semiclassical results. Overall, VV processes are found to be more efficient than VT processes, for both distinguishable and indistinguishable H2-H2 collisions confirming room temperature measurements for v = 1 and v = 2.

  18. Modelling framework for dynamic interaction between multiple pedestrians and vertical vibrations of footbridges

    Science.gov (United States)

    Venuti, Fiammetta; Racic, Vitomir; Corbetta, Alessandro

    2016-09-01

    After 15 years of active research on the interaction between moving people and civil engineering structures, there is still a lack of reliable models and adequate design guidelines pertinent to vibration serviceability of footbridges due to multiple pedestrians. There are three key issues that a new generation of models should urgently address: pedestrian "intelligent" interaction with the surrounding people and environment, effect of human bodies on dynamic properties of unoccupied structure and inter-subject and intra-subject variability of pedestrian walking loads. This paper presents a modelling framework of human-structure interaction in the vertical direction which addresses all three issues. The framework comprises two main models: (1) a microscopic model of multiple pedestrian traffic that simulates time varying position and velocity of each individual pedestrian on the footbridge deck, and (2) a coupled dynamic model of a footbridge and multiple walking pedestrians. The footbridge is modelled as a SDOF system having the dynamic properties of the unoccupied structure. Each walking pedestrian in a group or crowd is modelled as a SDOF system with an adjacent stochastic vertical force that moves along the footbridge following the trajectory and the gait pattern simulated by the microscopic model of pedestrian traffic. Performance of the suggested modelling framework is illustrated by a series of simulated vibration responses of a virtual footbridge due to light, medium and dense pedestrian traffic. Moreover, the Weibull distribution is shown to fit well the probability density function of the local peaks in the acceleration response. Considering the inherent randomness of the crowd, this makes it possible to determine the probability of exceeding any given acceleration value of the occupied bridge.

  19. The Study of Dynamic Potentials of Highly Excited Vibrational States of DCP: From Case Analysis to Comparative Study with HCP.

    Science.gov (United States)

    Wang, Aixing; Fang, Chao; Liu, Yibao

    2016-08-22

    The dynamic potentials of highly excited vibrational states of deuterated phosphaethyne (DCP) in the D-C and C-P stretching coordinates with anharmonicity and Fermi coupling are studied in this article and the results show that the D-C-P bending vibration mode has weak effects on D-C and C-P stretching modes under different Polyad numbers (P number). Furthermore, the dynamic potentials and the corresponding phase space trajectories of DCP are given, as an example, in the case of P = 30. In the end, a comparative study between deuterated phosphaethyne (DCP) and phosphaethyne (HCP) with dynamic potential is done, and it is elucidated that the uncoupled mode makes the original horizontal reversed symmetry breaking between the dynamic potential of HCP ( q 3 ) and DCP ( q 1 ), but has little effect on the vertical reversed symmetry, between the dynamic potential of HCP ( q 2 ) and DCP ( q 3 ).

  20. Dynamic acousto-elastic test using continuous probe wave and transient vibration to investigate material nonlinearity.

    Science.gov (United States)

    Eiras, J N; Vu, Q A; Lott, M; Payá, J; Garnier, V; Payan, C

    2016-07-01

    This study demonstrates the feasibility of the dynamic acousto-elastic effect of a continuous high frequency wave for investigating the material nonlinearity upon transient vibration. The approach is demonstrated on a concrete sample measuring 15×15×60cm(3). Two ultrasonic transducers (emitter and receiver) are placed at its middle span. A continuous high frequency wave of 500kHz propagates through the material and is modulated with a hammer blow. The position of the hammer blow on the sample is configured to promote the first bending mode of vibration. The use of a continuous wave allows discrete time extraction of the nonlinear behavior by a short-time Fourier transform approach, through the simultaneous comparison of a reference non-modulated signal and an impact-modulated signal. The hammer blow results in phase shifts and variations of signal amplitude between reference and perturbed signals, which are driven by the resonant frequency of the sample. Finally, a comprehensive analysis of the relaxation mechanisms (modulus and attenuation recovery) is conducted to untangle the coupled fast and slow hysteretic effects. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Vibrational energy transfer between carbon nanotubes and liquid water: a molecular dynamics study.

    Science.gov (United States)

    Nelson, Tammie R; Chaban, Vitaly V; Kalugin, Oleg N; Prezhdo, Oleg V

    2010-04-08

    The rates and magnitudes of vibrational energy transfer between single-wall carbon nanotubes (CNTs) and water are investigated by classical molecular dynamics. The interactions between the CNT and solvent confined inside of the tube, the CNT and solvent surrounding the tube, as well as the solvent inside and outside of the tube are considered for the (11,11), (15,15), and (19,19) armchair CNTs. The vibrational energy transfer exhibits two time scales, subpicosecond and picosecond, of roughly equal importance. Solvent molecules confined within CNTs are more strongly coupled to the tubes than the outside molecules. The energy exchange is facilitated by slow collective motions, including CNT radial breathing modes (RBM). The transfer rate between CNTs and the inside solvent shows strong dependence on the CNT diameter. In smaller tubes, the transfer is faster and the solvent coupling to RBMs is stronger. The magnitude of the CNT-outside solvent interaction scales with the CNT surface area, while that of the CNT-inside solvent exhibits scaling that is intermediate between the CNT volume and surface. The Coulomb interaction between the solvent molecules inside and outside of the CNTs is much weaker than the CNT-solvent interactions. The results indicate that the excitation energy supplied to CNTs in chemical and biological applications is rapidly deposited to the active molecular agents and should remain localized sufficiently long in order to perform the desired function.

  2. Dynamics of installation way for the actuator of a two-stage active vibration-isolator

    Institute of Scientific and Technical Information of China (English)

    HU Li; HUANG Qi-bai; HE Xue-song; YUAN Ji-xuan

    2008-01-01

    We investigated the behaviors of an active control system of two-stage vibration isolation with the actuator installed in parallel with either the upper passive mount or the lower passive isolation mount. We revealed the relationships between the active control force of the actuator and the parameters of the passive isolators by studying the dynamics of two-stage active vibration isolation for the actuator at the foregoing two positions in turn. With the actuator installed beside the upper mount, a small active force can achieve a very good isolating effect when the frequency of the stimulating force is much larger than the natural frequency of the upper mount; a larger active force is required in the low-frequency domain; and the active force equals the stimulating force when the upper mount works within the resonance region, suggesting an approach to reducing wobble and ensuring desirable installation accuracy by increasing the upper-mount stiffness. In either the low or the high frequency region far away from the resonance region, the active force is smaller when the actuator is beside the lower mount than beside the upper mount.

  3. Parameters Optimization for a Kind of Dynamic Vibration Absorber with Negative Stiffness

    Directory of Open Access Journals (Sweden)

    Yongjun Shen

    2016-01-01

    Full Text Available A new type of dynamic vibration absorber (DVA with negative stiffness is studied in detail. At first, the analytical solution of the system is obtained based on the established differential motion equation. Three fixed points are found in the amplitude-frequency curves of the primary system. The design formulae for the optimum tuning ratio and optimum stiffness ratio of DVA are obtained by adjusting the three fixed points to the same height according to the fixed-point theory. Then, the optimum damping ratio is formulated by minimizing the maximum value of the amplitude-frequency curves according to H∞ optimization principle. According to the characteristics of negative stiffness element, the optimum negative stiffness ratio is also established and it could still keep the system stable. In the end, the comparison between the analytical and the numerical solutions verifies the correctness of the analytical solution. The comparisons with three other traditional DVAs under the harmonic and random excitations show that the presented DVA performs better in vibration absorption. This result could provide theoretical basis for optimum parameters design of similar DVAs.

  4. Dynamics of Transition Regime in Bi-stable Vibration Energy Harvesters

    KAUST Repository

    Ibrahim, Alwathiqbellah

    2017-04-20

    Vibration energy harvesting can be an effective method for scavenging wasted mechanical energy for use by wireless sensors that have limited battery life. Two major goals in designing energy harvesters are enhancing the power scavenged at low frequency and improving efficiency by increasing the frequency bandwidth. To achieve these goals, we derived a magneto-elastic beam operated at the transition between mono- and bi-stable regions. By improving the mathematical model of the interaction of magnetic force and beam dynamics, we obtained a precise prediction of natural frequencies as the distance of magnets varies. Using the shooting technique for the improved model, we present a fundamental understanding of interesting combined softening and hardening responses that happen at the transition between the two regimes. The transition regime is proposed as the optimal region for energy conversion in terms of frequency bandwidth and output voltage. Using this technique, low frequency vibration energy harvesting at around 17 Hz was possible. The theoretical results were in good agreement with the experimental results. The target application is to power wildlife bio-logging devices from bird flights that have consistent high power density around 16 Hz [1].

  5. On the Free Vibration Modeling of Spindle Systems: A Calibrated Dynamic Stiffness Matrix

    Directory of Open Access Journals (Sweden)

    Omar Gaber

    2014-01-01

    Full Text Available The effect of bearings on the vibrational behavior of machine tool spindles is investigated. This is done through the development of a calibrated dynamic stiffness matrix (CDSM method, where the bearings flexibility is represented by massless linear spring elements with tuneable stiffness. A dedicated MATLAB code is written to develop and to assemble the element stiffness matrices for the system’s multiple components and to apply the boundary conditions. The developed method is applied to an illustrative example of spindle system. When the spindle bearings are modeled as simply supported boundary conditions, the DSM model results in a fundamental frequency much higher than the system’s nominal value. The simply supported boundary conditions are then replaced by linear spring elements, and the spring constants are adjusted such that the resulting calibrated CDSM model leads to the nominal fundamental frequency of the spindle system. The spindle frequency results are also validated against the experimental data. The proposed method can be effectively applied to predict the vibration characteristics of spindle systems supported by bearings.

  6. Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.

    Science.gov (United States)

    Stare, Jernej; Mavri, Janez; Grdadolnik, Jože; Zidar, Jernej; Maksić, Zvonimir B; Vianello, Robert

    2011-05-19

    Hydration of histamine was examined by infrared spectroscopy and Car-Parrinello molecular dynamics simulation. Histamine is a neurotransmitter and inflammation mediator, which at physiological pH conditions is present mainly in monocationic form. Our focus was on the part of vibrational spectra that corresponds to histamine N-H stretching, since these degrees of freedom are essential for its interactions with either water molecules or transporters and receptors. Assignment of the experimental spectra revealed a broad feature between 3350 and 2300 cm(-1), being centered at 2950 cm(-1), which includes a mixed contribution from the ring N-H and the aminoethyl N-H stretching vibrations. Computational analysis was performed in two ways: first, by making Fourier transformation on the autocorrelation function of all four N-H bond distances recorded during CPMD run, and second, and most importantly, by incorporating quantum effects through applying an a posteriori quantization of all N-H stretching motions utilizing our snapshot analysis of the fluctuating proton potential. The one-dimensional vibrational Schrödinger equation was solved numerically for each snapshot, and the N-H stretching envelopes were calculated as a superposition of the 0→1 transitions. The agreement with the experiment was much better in the case of the second approach. Our calculations clearly demonstrated that the ring amino group absorbs at higher frequencies than the remaining three amino N-H protons of the protonated aminoethyl group, implying that the chemical bonding in the former group is stronger than in the three amino N-H bonds, thus forming weaker hydrogen bonding with the surrounding solvent molecules. In this way the results of the simulation complemented the experimental spectrum that cannot distinguish between the two sets of protons. The effects of deuteration were also considered. The resulting N-D absorption is narrower and red-shifted. The presented methodology is of general

  7. DYNAMIC CHARACTERISTICS OF LIQUID SLOSHING IN A TRANS-VERSELY VIBRATING SPHERICAL TANK WITH A SPACER UNDER LOW GRAVITY

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The dynamic characteristics of liquid sloshing in a transversely vibrating spherical tank with spacer under low gravity were investigated. By expanding the characteristic functions, the frequencies and velocity potentials of liquid free-sloshing were obtained. The dynamic equations and boundary conditions of liquid sloshing in the traverse vibrational spherical tank with spacer under low gravity were derived. By modifying the velocity potentials of liquid free-sloshing, the velocity potentials of liquid sloshing in the traverse vibrating spherical tank with a spacer were obtained. Furthermore, the forces and the moments acting on tank wall were given. The numerical results show when a spacer is inserted in the tank, the sloshing frequencies of liquid and the forces acting on tank wall will decrease, but the moment of force to the centre of the tank which is caused by the force of liquid acting on the spacer will occur.

  8. Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

    Energy Technology Data Exchange (ETDEWEB)

    Morini, Filippo; Deleuze, Michael S., E-mail: michael.deleuze@uhasselt.be [Center of Molecular and Materials Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Watanabe, Noboru; Takahashi, Masahiko [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2015-03-07

    The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A{sub 1} symmetry on the 9a{sub 1} momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  9. Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

    Science.gov (United States)

    Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

    1974-01-01

    The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

  10. Effects of Structural Parameters on the Dynamics of a Beam Structure with a Beam-Type Vibration Absorber

    Directory of Open Access Journals (Sweden)

    Mothanna Y. Abd

    2012-01-01

    Full Text Available A beam-type absorber has been known as one of the dynamic vibration absorbers used to suppress excessive vibration of an engineering structure. This paper studies an absorbing beam which is attached through a visco-elastic layer on a primary beam structure. Solutions of the dynamic response are presented at the midspan of the primary and absorbing beams in simply supported edges subjected to a stationary harmonic load. The effect of structural parameters, namely, rigidity ratio, mass ratio, and damping of the layer and the structure as well as the layer stiffness on the response is investigated to reduce the vibration amplitude at the fundamental frequency of the original single primary beam. It is found that this can considerably reduce the amplitude at the corresponding troublesome frequency, but compromised situation should be noted by controlling the structural parameters. The model is also validated with measured data with reasonable agreement.

  11. Vibrational spectrum at a water surface: a hybrid quantum mechanics/molecular mechanics molecular dynamics approach.

    Science.gov (United States)

    Ishiyama, Tatsuya; Takahashi, Hideaki; Morita, Akihiro

    2012-03-28

    A hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulation is applied to the calculation of surface orientational structure and vibrational spectrum (second-order nonlinear susceptibility) at the vapor/water interface for the first time. The surface orientational structure of the QM water molecules is consistent with the previous MD studies, and the calculated susceptibility reproduces the experimentally reported one, supporting the previous results using the classical force field MD simulation. The present QM/MM MD simulation also demonstrates that the positive sign of the imaginary part of the second-order nonlinear susceptibility at the lower hydrogen bonding OH frequency region originates not from individual molecular orientational structure, but from cooperative electronic structure through the hydrogen bonding network.

  12. Path integral centroid molecular-dynamics evaluation of vibrational energy relaxation in condensed phase

    Science.gov (United States)

    Poulsen, Jens Aage; Rossky, Peter J.

    2001-11-01

    We present a method based on centroid molecular dynamics (CMD) to calculate nonlinear quantum force correlation functions important in the golden rule approach for studying vibrational energy relaxation (VER) in condensed phases. We consider a model of a diatomic molecule in a two-dimensional neon liquid and also a diatomic coupled to a small Helium cluster. The predictions of the theory for the neon bath are compared and found in close agreement with available theories for VER based on the Egelstaff correction factor and Feynman-Kleinert variational theory. For the Helium cluster, the force spectrum obtained from CMD is found to be in slightly better agreement with the exact result than a method based on a cumulant approach. The results support the use of CMD in condensed phase studies of VER when quantum effects are important.

  13. Dynamic Model and Vibration Characteristics of Planar 3-RRR Parallel Manipulator with Flexible Intermediate Links considering Exact Boundary Conditions

    Directory of Open Access Journals (Sweden)

    Lianchao Sheng

    2017-01-01

    Full Text Available Due to the complexity of the dynamic model of a planar 3-RRR flexible parallel manipulator (FPM, it is often difficult to achieve active vibration control algorithm based on the system dynamic model. To establish a simple and efficient dynamic model of the planar 3-RRR FPM to study its dynamic characteristics and build a controller conveniently, firstly, considering the effect of rigid-flexible coupling and the moment of inertia at the end of the flexible intermediate link, the modal function is determined with the pinned-free boundary condition. Then, considering the main vibration modes of the system, a high-efficiency coupling dynamic model is established on the basis of guaranteeing the model control accuracy. According to the model, the modal characteristics of the flexible intermediate link are analyzed and compared with the modal test results. The results show that the model can effectively reflect the main vibration modes of the planar 3-RRR FPM; in addition the model can be used to analyze the effects of inertial and coupling forces on the dynamics model and the drive torque of the drive motor. Because this model is of the less dynamic parameters, it is convenient to carry out the control program.

  14. Analysis of Vertical-Horizontal Coupling Vibration Characteristics of Rolling Mill Rolls Based on Strip Dynamic Deformation Process

    Directory of Open Access Journals (Sweden)

    Dongxiao Hou

    2014-01-01

    Full Text Available Nonlinear dynamic rolling forces in the vertical and horizontal directions are, respectively, established, considering the impact of vertical and horizontal directions vibration of rolls. Then a vertical-horizontal coupling nonlinear vibration dynamic model of rolling mill rolls is proposed, based on the interactions between this dynamic rolling force and mill structure. The amplitude-frequency equations of the main resonance and inner resonance are carried out by using multiple-scale method. The characteristics of amplitude frequency under nonlinear stiffness, damping, and amplitude of the disturbance are obtained by adopting the actual parameters of 1780 rolling mills. Finally, the bifurcation behavior of the system is studied, and it is found that many dynamic behaviors such as period, period-3 motion, and chaos exist in rolling mill, and this behavior could be restrained effectively by choosing proper system parameters.

  15. Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method.

    Science.gov (United States)

    Shen, Tonghao; Su, Neil Qiang; Wu, Anan; Xu, Xin

    2014-03-05

    In this work, we first review the perturbative treatment of an oscillator with cubic anharmonicity. It is shown that there is a quantum-classical correspondence in terms of mean displacement, mean-squared displacement, and the corresponding variance in the first-order perturbation theory, provided that the amplitude of the classical oscillator is fixed at the zeroth-order energy of quantum mechanics EQM (0). This correspondence condition is realized by proposing the extended Langevin dynamics (XLD), where the key is to construct a proper driving force. It is assumed that the driving force adopts a simple harmonic form with its amplitude chosen according to EQM (0), while the driving frequency chosen as the harmonic frequency. The latter can be improved by using the natural frequency of the system in response to the potential if its anharmonicity is strong. By comparing to the accurate numeric results from discrete variable representation calculations for a set of diatomic species, it is shown that the present method is able to capture the large part of anharmonicity, being competitive with the wave function-based vibrational second-order perturbation theory, for the whole frequency range from ∼4400 cm(-1) (H2 ) to ∼160 cm(-1) (Na2 ). XLD shows a substantial improvement over the classical molecular dynamics which ceases to work for hard mode when zero-point energy effects are significant.

  16. Femtosecond dynamics of fundamental reaction processes in liquids: Proton transfer, geminate recombination, isomerization and vibrational relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Benjamin Joel [Univ. of California, Berkeley, CA (United States)

    1992-11-01

    The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in ~240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH2I2 and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a ~350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.

  17. Passive vibration control in rotor dynamics: Optimization of composed support using viscoelastic materials

    Science.gov (United States)

    Ribeiro, Eduardo Afonso; Pereira, Jucélio Tomás; Alberto Bavastri, Carlos

    2015-09-01

    One of the major reasons for inserting damping into bearings is that rotating machines are often requested in critical functioning conditions having sometimes to function under dynamic instability or close to critical speeds. Hydrodynamic and magnetic bearings have usually been used for this purpose, but they present limitations regarding costs and operation, rendering the use of viscoelastic supports a feasible solution for vibration control in rotating machines. Most papers in the area use simple analytic or single degree of freedom models for the rotor as well as classic mechanical models of linear viscoelasticity for the support - like Maxwell, Kelvin-Voigt, Zenner, four-element, GHM models and even frequency independent models - but they lack the accuracy of fractional models in a large range of frequency and temperature regarding the same number of coefficients. Even in those works, the need to consider the addition of degrees of freedom to the support is evident. However, so far no paper has been published focusing on a methodology to determine the optimal constructive form for any viscoelastic support in which the rotor is discretized by finite elements associated to an accurate model for characterizing the viscoelastic material. In general, the support is meant to be a simple isolation system, and the fact the stiffness matrix is complex and frequency-temperature dependent - due to its viscoelastic properties - forces the traditional methods to require an extremely long computing time, thus rendering them too time consuming in an optimization environment. The present work presents a robust methodology based mainly on generalized equivalent parameters (GEP) - for an optimal design of viscoelastic supports for rotating machinery - aiming at minimizing the unbalance frequency response of the system using a hybrid optimization technique (genetic algorithms and Nelder-Mead method). The rotor is modeled based on the finite element method using Timoshenko's thick

  18. Validated linear dynamic model of electrically-shunted magnetostrictive transducers with application to structural vibration control

    Science.gov (United States)

    Scheidler, Justin J.; Asnani, Vivake M.

    2017-03-01

    This paper presents a linear model of the fully-coupled electromechanical behavior of a generally-shunted magnetostrictive transducer. The impedance and admittance representations of the model are reported. The model is used to derive the effect of the shunt’s electrical impedance on the storage modulus and loss factor of the transducer without neglecting the inherent resistance of the transducer’s coil. The expressions are normalized and then shown to also represent generally-shunted piezoelectric materials that have a finite leakage resistance. The generalized expressions are simplified for three shunts: resistive, series resistive-capacitive, and inductive, which are considered for shunt damping, resonant shunt damping, and stiffness tuning, respectively. For each shunt, the storage modulus and loss factor are plotted for a wide range of the normalized parameters. Then, important trends and their impact on different applications are discussed. An experimental validation of the transducer model is presented for the case of resistive and resonant shunts. The model closely predicts the measured response for a variety of operating conditions. This paper also introduces a model for the dynamic compliance of a vibrating structure that is coupled to a magnetostrictive transducer for shunt damping and resonant shunt damping applications. This compliance is normalized and then shown to be analogous to that of a structure that is coupled to a piezoelectric material. The derived analogies allow for the observations and equations in the existing literature on structural vibration control using shunted piezoelectric materials to be directly applied to the case of shunted magnetostrictive transducers.

  19. Effects of Different Magnitudes of Whole-Body Vibration on Dynamic Squatting Performance.

    Science.gov (United States)

    Marín, Pedro J; García Rioja, Javier; Bernardo-Filho, Mario; Hazell, Tom J

    2015-10-01

    The purpose of this study was to examine the effects (a) of different whole-body vibration (WBV) accelerations when applied simultaneously during a set of squats on performance and perceived exertion and (b) of different linear increases and decreases of vibrations during the squats. It is a randomized, crossover experimental design. Undergraduate students (3 female; 16 male) participated. Each participant completed 5 laboratory sessions in this study (4 familiarization and 1 test session). The test session then had each participant complete one 20-second set of dynamics quarter-squats for 5 separate conditions followed by 5 minutes of rest. Squatting was performed at maximum speed from full extension knee with plantar-flexion ankle to a knee angle of 70° (0° = anatomic position) with dorsiflexion ankle. All sets were performed on the WBV platform in random order, where the 5 different conditions were (a) no WBV-sham, (b) 30 Hz (30 Hz low amplitude), (c) 50 Hz (50 Hz high amplitude), (d) 30-50 Hz (increasing frequency from 30 to 50 Hz; 1 Hz per second with high amplitude), and (e) 50-30 Hz (decreasing frequency from 50 to 30 Hz; 1 Hz per second). There was a significant decrease in the mean velocity of squatting performed during the 30- to 50-Hz condition compared with all other conditions (p ≤ 0.05). There were a significantly lower amount of repetitions performed during the 30- to 50-Hz exposure compared with the no-WBV and 30-Hz conditions. There was a significantly lower Rating of Perceived Exertion (RPE) during the 30-Hz condition compared with the no-WBV, 50-Hz, 30-50-Hz, and 50-30-Hz conditions.

  20. Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

    Energy Technology Data Exchange (ETDEWEB)

    Fry-Petit, A. M., E-mail: mcqueen@jhu.edu, E-mail: afry@fullerton.edu; Sheckelton, J. P.; McQueen, T. M., E-mail: mcqueen@jhu.edu, E-mail: afry@fullerton.edu [Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218 (United States); Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218 (United States); Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rebola, A. F.; Fennie, C. J. [Department of Applied Physics, Cornell University, Ithaca, New York 14853 (United States); Mourigal, M.; Valentine, M.; Drichko, N. [Institute for Quantum Matter and Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland 21218 (United States)

    2015-09-28

    For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn{sub 2}Mo{sub 3}O{sub 8}, this approach allows direct assignment of the constrained rotational mode of Mo{sub 3}O{sub 13} clusters and internal modes of MoO{sub 6} polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.

  1. Quantum dynamics of vibrational excitations and vibrational charge transfer processes in H+ + O2 collisions at collision energy 23 eV

    Indian Academy of Sciences (India)

    Saieswari Amaran; Sanjay Kumar

    2009-09-01

    Quantum mechanical study of vibrational state-resolved differential cross sections and transition probabilities for both the elastic/inelastic and the charge transfer processes have been carried out in the H+ + O2 collisions at the experimental collision energy of 23 eV. The quantum dynamics has been performed within the vibrational close-coupling rotational infinite-order sudden approximation framework employing our newly obtained quasi-diabatic potential energy surfaces corresponding to the ground and the first excited electronic states which have been computed using ab initio procedures and Dunning’s correlation consistent-polarized valence triple zeta basis set at the multireference configuration interaction level of accuracy. The present theoretical results for elastic/inelastic processes provide an overall agreement with the available state-selected experimental data, whereas the results for the charge transfer channel show some variance in comparison with those of experiments and are similar to the earlier theoretical results obtained using model effective potential based on projected valence bond method and using semi-empirical diatomics-in-molecules potential. The possible reason for discrepancies and the likely ways to improve the results are discussed in terms of the inclusion of higher excited electronic states into the dynamics calculation.

  2. Dynamics of thermal vibrational motions and stringlike jump motions in three-dimensional glass-forming liquids

    Science.gov (United States)

    Kawasaki, Takeshi; Onuki, Akira

    2013-03-01

    Using molecular dynamics simulation on a glass-forming liquid in three dimensions, we investigate the thermal vibrational motions, the configuration changes caused by stringlike jump motions, and their close correlations. The heterogeneous vibrational motions are visualized in terms of a vibration length Si(t) defined for each particle i. The structure factor for the inhomogeneity of Si(t)2 is also calculated, which exhibits considerable long wavelength enhancement. By examining the birth times of strings, they are shown to appear collectively and intermittently. We show that particles with larger Si(t) tend to trigger jump motions more frequently at later times than those with smaller Si(t). We also show that the particles with fewer bonds tend to have larger Si(t) and participate more frequently in the stringlike motions.

  3. Nonlinear Vibration Study on the Gear System based on the Non-dimensional Differential Equation of Dynamic Model

    Directory of Open Access Journals (Sweden)

    Fan-Ping Qing

    2014-02-01

    Full Text Available The study derives the kinetics equation of the system and analyzes vibration performance considering the nonlinear factors like time-varying mesh stiffness, gear back lash, mesh error. With the time-varying mesh stiffness of the gear increasing, the vibration of the gear system is more intense. The gear backlash has little effect on the aperiodic behaviour. However, with the clearance increasing, the system response quickly converts to chaos response from single frequency response with the increase of gap and the mesh impact is more serious. The excitation frequency is close to the resonance frequency of system, the system appears chaotic response and the vibration amplitude increases. When the frequency is far from the natural frequency, the response of the system tends to be steady. So it is easy to predict the dynamic performance in the design and make the system avoid the resonance frequency. In the following profile modification of gear, it also provides the data sources.

  4. Theory of vibration protection

    CERN Document Server

    Karnovsky, Igor A

    2016-01-01

    This text is an advancement of the theory of vibration protection of mechanical systems with lumped and distributed parameters. The book offers various concepts and methods of solving vibration protection problems, discusses the advantages and disadvantages of different methods, and the fields of their effective applications. Fundamental approaches of vibration protection, which are considered in this book, are the passive, parametric and optimal active vibration protection. The passive vibration protection is based on vibration isolation, vibration damping and dynamic absorbers. Parametric vibration protection theory is based on the Shchipanov-Luzin invariance principle. Optimal active vibration protection theory is based on the Pontryagin principle and the Krein moment method. The book also contains special topics such as suppression of vibrations at the source of their occurrence and the harmful influence of vibrations on humans. Numerous examples, which illustrate the theoretical ideas of each chapter, ar...

  5. Quantum dynamics of dissociative chemisorption of CH(4) on Ni(111): Influence of the bending vibration.

    Science.gov (United States)

    Krishnamohan, G P; Olsen, R A; Kroes, G-J; Gatti, F; Woittequand, S

    2010-10-14

    Two-dimensional, three-dimensional, and four-dimensional quantum dynamic calculations are performed on the dissociative chemisorption of CH(4) on Ni(111) using the multiconfiguration time-dependent Hartree (MCTDH) method. The potential energy surface used for these calculations is 15-dimensional (15D) and was obtained with density functional theory for points which are concentrated in the region that is dynamically relevant to reaction. Many reduced dimensionality calculations were already performed on this system, but the molecule was generally treated as pseudodiatomic. The main improvement of our model is that we try to describe CH(4) as a polyatomic molecule by including a degree of freedom describing a bending vibration in our three-dimensional and four-dimensional models. Using a polyspherical coordinate system, a general expression for the 15D kinetic energy operator is derived, which discards all the singularities in the operator and includes rotational and Coriolis coupling. We use seven rigid constraints to fix the CH(3) umbrella of the molecule to its gas phase equilibrium geometry and to derive two-dimensional, three-dimensional, and four-dimensional Hamiltonians, which were used in the MCTDH method. Only four degrees of freedom evolve strongly along the 15D minimum energy path: the distance of the center of mass of the molecule to the surface, the dissociative C[Single Bond]H bond distance, the polar orientation of the molecule, and the bending angle between the dissociative C[Single Bond]H bond and the umbrella. A selection of these coordinates is included in each of our models. The polar rotation is found to be important in determining the mode selective behavior of the reaction. Furthermore, our calculations are in good agreement with the finding of Xiang et al. [J. Chem. Phys. 117, 7698 (2002)] in their reduced dimensional calculation that the helicopter motion of the umbrella symmetry axis is less efficient than its cartwheel motion for promoting

  6. Femtosecond Dynamics of Fundamental Reaction Processes in Liquids: Proton Transfer, Geminate Recombination, Isomerization and Vibrational Relaxation.

    Science.gov (United States)

    Schwartz, Benjamin Joel

    Femtosecond and picosecond transient absorption spectroscopy are used to probe several fundamental aspects of chemical reactivity in the condensed phase including proton transfer, germinate recombination, isomerization and vibrational relaxation. The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured for the first time, and the effects of external hydrogen-bonding interactions on the proton transfer are studied in detail. The proton transfer takes place in ~240 fsec in non-polar environments, but becomes faster than the instrumental resolution of 110 fsec in methanol solutions. A simple model is proposed to explain these results. The dynamics following photodissociation of CH _2I_2 and other small molecules provide the first direct observations of germinate recombination. The recombination of many different photodissociating species occurs on a ~350 fsec time scale. Results also show that recombination yields but not rates depend on the molecular details of the solvent environment and suggest that recombination kinetics are dominated by a single collision with the surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. The data show no simple correlation between the hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes. This strongly implies that the isomerization of these systems does not provide a suitable testing ground for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in the photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial

  7. Determination of Dynamic Characteristics of the Frame Bearing Structures of the Vibrating Separating Machines

    Science.gov (United States)

    Piven, V. V.; Umanskaya, O. L.

    2016-08-01

    Within the vibrating separating machines the vibration displacement of the members is transferred to a frame bearing structure, and over it the movement is transferred again to the suspension brackets of the sieve separating surfaces and to the foundation, on which the machine is fixed. The forced oscillations of the sieve separating surfaces ensure the separation process, and the vibration, transferred from the frame structure, disturbs this process. It is necessary to ensure the vibration displacement of the separating surfaces within the fixed limitations by means of optimal design of the frame bearing surfaces. The aim of the work is to decrease adverse vibrations towards the technological separation process. The calculated and graphical relations, acquired according to the presented methods, enable to estimate the influence of various structure solutions on vibration displacements of the structure elements at the stage of design.

  8. Dynamics of a passive micro-vibration isolator based on a pretensioned plane cable net structure and fluid damper

    Science.gov (United States)

    Chen, Yanhao; Lu, Qi; Jing, Bo; Zhang, Zhiyi

    2016-09-01

    This paper addresses dynamic modelling and experiments on a passive vibration isolator for application in the space environment. The isolator is composed of a pretensioned plane cable net structure and a fluid damper in parallel. Firstly, the frequency response function (FRF) of a single cable is analysed according to the string theory, and the FRF synthesis method is adopted to establish a dynamic model of the plane cable net structure. Secondly, the equivalent damping coefficient of the fluid damper is analysed. Thirdly, experiments are carried out to compare the plane cable net structure, the fluid damper and the vibration isolator formed by the net and the damper, respectively. It is shown that the plane cable net structure can achieve substantial vibration attenuation but has a great amplification at its resonance frequency due to the light damping of cables. The damping effect of fluid damper is acceptable without taking the poor carrying capacity into consideration. Compared to the plane cable net structure and the fluid damper, the isolator has an acceptable resonance amplification as well as vibration attenuation.

  9. Dynamic modelling and active vibration controller design for a cylindrical shell equipped with piezoelectric sensors and actuators

    Science.gov (United States)

    Kwak, Moon K.; Heo, Seok; Jeong, Moonsan

    2009-04-01

    This paper is concerned with the dynamic modelling, active vibration controller design and experiments for a cylindrical shell equipped with piezoelectric sensors and actuators. The dynamic model was derived by using Rayleigh-Ritz method based on the Donnel-Mushtari shell theory. The actuator equations which relate the applied voltages to the generalized force and sensor equations which relate the generalized displacements to the sensor output voltages for the piezoelectric wafer were derived based on the pin-force model. The equations of motion along with the piezoelectric sensor equations were then reduced to modal forms considering the modes of interest. An aluminium shell was fabricated to demonstrate the effectiveness of the modelling and control techniques. The boundary conditions at both ends of the shell were assumed to be a shear diaphragm in the numerical analysis. Theoretical natural frequencies of the aluminium shell were then calculated and compared to experimental result. They were in good agreement with experimental result for the first two free-vibration modes. The multi-input and multi-output positive position feedback controller, which can cope with the first two vibration modes, was designed based on the block-inverse theory and was implemented digitally using the DSP board. The experimental results showed that vibrations of the cylindrical shell can be successfully suppressed by the piezoelectric actuator and the proposed controller.

  10. Minimization of the mean square velocity response of dynamic structures using an active-passive dynamic vibration absorber.

    Science.gov (United States)

    Cheung, Y L; Wong, W O; Cheng, L

    2012-07-01

    An optimal design of a hybrid vibration absorber (HVA) with a displacement and a velocity feedback for minimizing the velocity response of the structure based on the H(2) optimization criterion is proposed. The objective of the optimal design is to reduce the total vibration energy of the vibrating structure under wideband excitation, i.e., the total area under the velocity response spectrum is minimized in this criterion. One of the inherent limitations of the traditional passive vibration absorber is that its vibration suppression is low if the mass ratio between the absorber mass and the mass of the primary structure is low. The active element of the proposed HVA helps further reduce the vibration of the controlled structure, and it can provide very good vibration absorption performance even at a low mass ratio. Both the passive and active elements are optimized together for the minimization of the mean square velocity of the primary system as well as the active force required in the HVA. The proposed HVA was tested on single degree-of-freedom (SDOF) and continuous vibrating structures and compared to the traditional passive vibration absorber.

  11. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

    DEFF Research Database (Denmark)

    Vendrell, Oriol; Gatti, Fabien; Meyer, Hans-Dieter

    2007-01-01

    the fundamentals and several overtones of the vibrational motion are computed. The spectrum of H5O2+ is shaped to a large extent by couplings of the proton-transfer motion to large amplitude fluxional motions of the water molecules, water bending and water-water stretch motions. These couplings are identified...... and discussed, and the corresponding spectral lines are assigned. The large couplings featured by H5O2+ do not hinder, however, to describe the coupled vibrational motion by well defined simple types of vibration (stretching, bending; etc.) based on well defined modes of vibration, in terms of which...

  12. Dynamics analysis and experiment on the fishtailing type of valveless piezoelectric pump with rectangular vibrator

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In recent years, the research and development of piezoelectric pumps have become an increasingly popular topic. Minimization, structure simplification and stronger output become the focus of piezoelectric pumps’ research due to its possible application in MEMS technology. The valveless fishtailing piezoelectric pump, neither a volumetric nor a rotating pump, was invented according to the bionics of fish swimming. With assumption that the head of the fish is fixed while its tail is swinging, fluid would flow toward the end of the tail, achieving the function of a valveless pump. This type of pumps creates a new branch for the piezoelectric pump research, which is proposed for the first time in this paper. The relationship between the flow rates and vibrating frequencies was derived from the interaction between the vibrator and fluid. Numerical simulations with FEM software were conducted to study the first and second vibration modes of the piezoelectric vibrator. The results showed that the maximum amplitude of the vibrator was 0.9 mm at the frequency of 76 Hz for the first vibration mode, while the maximum amplitude of the vibrator was 0.22 mm at the frequency of 781 Hz for the second vibration mode. Experiments were conducted with the Doppler laser vibration measurement system, and the results were compared to those of the FEM simulation. It was shown that in the first vibration mode the piezoelectric vibrator reached its maximum amplitude of about 0.9 mm at the driving frequency of 49 Hz, which gives the flow rate of 2.0 mL/min, in the second vibration mode, the maximum amplitude was about 0.25 mm at the frequency of 460 Hz with the flow rate being 6.4 mL/min.

  13. Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases

    Science.gov (United States)

    Chapman, Craig T.; Cina, Jeffrey A.

    2007-09-01

    Time-resolved coherent nonlinear optical experiments on small molecules in low-temperature host crystals are exposing valuable information on quantum mechanical dynamics in condensed media. We make use of generic features of these systems to frame two simple, comprehensive theories that will enable the efficient calculations of their ultrafast spectroscopic signals and support their interpretation in terms of the underlying chemical dynamics. Without resorting to a simple harmonic analysis, both treatments rely on the identification of normal coordinates to unambiguously partition the well-structured guest-host complex into a system and a bath. Both approaches expand the overall wave function as a sum of product states between fully anharmonic vibrational basis states for the system and approximate Gaussian wave packets for the bath degrees of freedom. The theories exploit the fact that ultrafast experiments typically drive large-amplitude motion in a few intermolecular degrees of freedom of higher frequency than the crystal phonons, while these intramolecular vibrations indirectly induce smaller-amplitude—but still perhaps coherent—motion among the lattice modes. The equations of motion for the time-dependent parameters of the bath wave packets are fairly compact in a fixed vibrational basis/Gaussian bath (FVB/GB) approach. An alternative adiabatic vibrational basis/Gaussian bath (AVB/GB) treatment leads to more complicated equations of motion involving adiabatic and nonadiabatic vector potentials. Computational demands for propagation of the parameter equations of motion appear quite manageable for tens or hundreds of atoms and scale similarly with system size in the two cases. Because of the time-scale separation between intermolecular and lattice vibrations, the AVB/GB theory may in some instances require fewer vibrational basis states than the FVB/GB approach. Either framework should enable practical first-principles calculations of nonlinear optical

  14. Interaction dynamics of gap flow with vortex-induced vibration in side-by-side cylinder arrangement

    Science.gov (United States)

    Liu, Bin; Jaiman, Rajeev K.

    2016-12-01

    A numerical investigation of the vortex-induced vibration (VIV) in a side-by-side circular cylinder arrangement has been performed in a two-dimensional laminar flow environment. One of the cylinders is elastically mounted and only vibrates in the transverse direction, while its counterpart remains stationary in a uniform flow stream. When the gap ratio is sufficiently small, the flip-flopping phenomenon of the gap flow can be an additional time-dependent interference to the flow field. This phenomenon was reported in the experimental work of Bearman and Wadcock ["The interaction between a pair of circular cylinders normal to a stream," J. Fluid Mech. 61(3), 499-511 (1973)] in a side-by-side circular cylinder arrangement, in which the gap flow deflects toward one of the cylinders and switched its sides intermittently. Albeit one of the two cylinders is free to vibrate, the flip-flop of a gap flow during VIV dynamics can still be observed outside the lock-in region. The exact moments of the flip-flop phenomenon due to spontaneous symmetry breaking are observed in this numerical study. The significant characteristic vortex modes in the near-wake region are extracted via dynamic modal analysis and the interference between the gap flow and VIV is found to be mutual. In a vibrating side-by-side arrangement, the lock-in region with respect to reduced velocity becomes narrower due to the interference from its stationary counterpart. The frequency lock-in occurs and ends earlier than that of an isolated vibrating circular cylinder subjected to an identical flow environment. Similar to a tandem cylinder arrangement, in the post-lock-in region, the maximum vibration amplitudes are escalated compared with those of an isolated circular cylinder configuration. On the other hand, subjected to the influence from VIV, the biased gap flow deflects toward the vibrating cylinder quasi-stably during the frequency lock-in process. This behavior is different from the reported bi

  15. Vibrational dynamics of non-crystalline glassy alloys of non-crystalline glassy alloys

    Institute of Scientific and Technical Information of China (English)

    Aditya M.Vora

    2007-01-01

    The vibrational dynamics of three Ca-based non-crystalline alloys viz.Ca70Mg30,Ca70Zn30 and Ca60Al40have been studied at room temperature in terms of the phonon eigen frequencies of longitudinal and transverse modes,employing three theoretical formulations given by HubbardBeeby(HB),Takeno-Goda(TG)and Bhatia-Singh(BS).Five local field correction functions viz.Hartree(H),Taylor(T),Ichimaru-Utsumi(IU),Farid et al.(F)and Sarkar et al.(S)are used for the first time in the present investigation to study the screening influence on the aforesaid properties.The pseudo-alloy-atom(PAA)model is applied for the first time instead of Vegard's Law.Long wavelength limits of the phonon modes are used to investigate the elastic and thermal properties ofthe system.The low temperature specific heat is also calculated from the elastic limit of the phonon dispersion curves(PDCs).The present findings of the PDCs of Ca70Mg30 glass are found in fair agreement with available theoretical and experimental data.

  16. Dynamic characteristics of an inclined flexible cylinder undergoing vortex-induced vibrations

    Science.gov (United States)

    Han, Qinghua; Ma, Yexuan; Xu, Wanhai; Lu, Yan; Cheng, Ankang

    2017-04-01

    A series of experimental tests were conducted on vortex-induced vibrations (VIV) of a flexible inclined cylinder with a yaw angle equals 45° for investigating the response characteristics in a towing tank. The flexible cylinder model was 5.6 m in length and 16 mm in diameter with an aspect ratio of 350 and a mass ratio of 1.9. The Reynolds numbers ranged from about 800 to 16,000.The strain responses were measured directly in both cross-flow (CF) and in-line (IL) directions and corresponding displacements were obtained using a modal approach. The dynamic response characteristics of the inclined flexible cylinder excited by vortex shedding was examined from the aspect of strain response, displacement amplitudes, dominant modes, response frequencies and drag force coefficients. The experimental results indicated that the CF response amplitude could be up to a value of 3.0D and the IL one more than 1.1D. The dominant modes were from 1 to 3 in CF direction and 1 to 5 in IL direction. And it was found that dominant frequencies increased linearly with the reduced velocity. The multi-modal response of the flexible inclined cylinder model excited by VIV was observed and analyzed. Moreover, the values of drag coefficients were in the range of 0.9-2.6.

  17. Designing a hand rest tremor dynamic vibration absorber using H{sub 2} optimization method

    Energy Technology Data Exchange (ETDEWEB)

    Rahnavard, Mostafa; Dizaji, Ahmad F. [Tehran University, Tehran (Iran, Islamic Republic of); Hashemi, Mojtaba [Amirkabir University, Tehran (Iran, Islamic Republic of); Faramand, Farzam [Sharif University, Tehran (Iran, Islamic Republic of)

    2014-05-15

    An optimal single DOF dynamic absorber is presented. A tremor has a random nature and then the system is subjected to a random excitation instead of a sinusoidal one; so the H{sub 2} optimization criterion is probably more desirable than the popular H{sub ∞} optimization method and was implemented in this research. The objective of H{sub 2} optimization criterion is to reduce the total vibration energy of the system for overall frequencies. An objective function, considering the elbow joint angle, θ {sub 2}, tremor suppression as the main goal, was selected. The optimization was done by minimization of this objective function. The optimal system, including the absorber, performance was analyzed in both time and frequency domains. Implementing the optimal absorber, the frequency response amplitude of θ{sub 2} was reduced by more than 98% and 80% at the first and second natural frequencies of the primary system, respectively. A reduction of more than 94% and 78%, was observed for the shoulder joint angle, θ{sub 1}. The objective function also decreased by more than 46%. Then, two types of random inputs were considered. For the first type, θ{sub 1} and θ {sub 2} revealed 60% and 39% reduction in their rms values, whereas for the second type, 33% and 50% decrease was observed.

  18. Combined dynamic stiffness matrix and precise time integration method for transient forced vibration response analysis of beams

    Science.gov (United States)

    Tang, Bin

    2008-01-01

    A method has been developed for determining the transient response of a beam. The beam is divided into several continuous Timoshenko beam elements. The overall dynamic stiffness matrix is assembled in turn. Using Leung's equation, we derive the overall mass and stiffness matrices which are more suitable for response analysis than the overall dynamic stiffness matrix. The forced vibration of the beam is computed by the precise time integration method. Three illustrative beams are discussed to evaluate the performance of the current method. Solutions calculated by the finite element method and theoretical analysis are also enumerated for comparison. In these examples, we have found that the current method can solve the forced vibration of structures with a higher precision.

  19. Free vibration analysis of multi-layer graphene nanoribbons incorporating interlayer shear effect via molecular dynamics simulations and nonlocal elasticity

    Energy Technology Data Exchange (ETDEWEB)

    Nazemnezhad, Reza, E-mail: rnazemnezhad@iust.ac.ir [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Hosseini-Hashemi, Shahrokh [School of Mechanical Engineering, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of); Center of Excellence in Railway Transportation, Iran University of Science and Technology, Narmak, Tehran (Iran, Islamic Republic of)

    2014-09-12

    Free vibration of cantilever multi-layer graphene nanoribbons (MLGNRs) with interlayer shear effect is investigated using molecular dynamics simulations (MD) and nonlocal elasticity. Because of similarity of MLGNRs to sandwich structures, sandwich formulations are expressed in the nonlocal form. By comparing the first two frequencies of MLGNRs with various layers and lengths obtained using MD simulations with those of the nonlocal sandwich formulation; the nonlocal parameter is calibrated to match the results of two methods. The results reveal that the calibrated nonlocal parameter for predicting the second frequencies is dependent on the number of MLGNR layers, and it increases by increasing the number of layers. - Highlights: • Nonlocal parameter is calibrated for vibration of multi-layer graphene nanoribbons. • Interlayer shear effect between GNR layers is also considered. • Two first nonlocal frequencies are obtained using sandwich formulation. • Molecular dynamics simulations are done for nonlocal parameter calibration.

  20. Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations

    Science.gov (United States)

    Sääskilahti, K.; Oksanen, J.; Tulkki, J.; McGaughey, A. J. H.; Volz, S.

    2016-12-01

    The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics simulations. The results suggest a (frequency)- 2 scaling of the room-temperature MFPs below 5 THz. The MFPs exhibit a local maximum at a frequency of 8 THz and fall below 1 nm at frequencies greater than 10 THz, indicating localized vibrations. The MFPs extracted from sub-10 nm system-size simulations are used to predict the length-dependence of thermal conductivity up to system sizes of 100 nm and good agreement is found with independent molecular dynamics simulations. Weighting the SDHC by the frequency-dependent quantum occupation function provides a simple and convenient method to account for quantum statistics and provides reasonable agreement with the experimentally-measured trend and magnitude.

  1. Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations

    CERN Document Server

    Sääskilahti, K; Tulkki, J; McGaughey, A J H; Volz, S

    2016-01-01

    The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics simulations. The results suggest a (frequency)$^{-2}$ scaling of the room-temperature MFPs below 5 THz. The MFPs exhibit a local maximum at a frequency of 8 THz and fall below 1 nm at frequencies greater than 10 THz, indicating localized vibrations. The MFPs extracted from sub-10 nm system-size simulations are used to predict the length-dependence of thermal conductivity up to system sizes of 100 nm and good agreement is found with separate molecular dynamics simulations. Weighting the SDHC by the frequency-dependent quantum occupation function provides a simple and convenient method to account for quantum statistics and provides reasonable agreement with the experimentally-measured trend and magnitude.

  2. NON-HOLONOMIC DYNAMICS OF WHIRLING VIBRATIONS OF DEEP DRILL COLUMNS

    Directory of Open Access Journals (Sweden)

    Gaidaichuk V.V.

    2014-06-01

    Full Text Available On the basis of the non-holonomic mechanics methods, the problem of the whirling vibrations of a bit of a drillstring, which is prestressed by longitudinal force and rotates under the applied forces is stated. The analysis of the mechanism of the vibration self-excitation is performed. It is shown that they can be both stable and unstable.

  3. Dynamic responses of cable-stayed bridges to vehicular loading including the effects of the local vibration of cables

    Institute of Scientific and Technical Information of China (English)

    He ZHANG; Xu XIE

    2011-01-01

    Stay cables,the primary load carrying components of cable-stayed bridges (CSBs),are characterised by high flexibility which increases with the span of the bridge.This makes stay cables vulnerable to local vibrations which may have significant effects on the dynamic responses of long-span CSBs.Hence,it is essential to account for these effects in the assessment of the dynamics CSBs.In this paper,the dynamic responses of CSBs under vehicular loads are studied using the finite element method (FEM),while the local vibration of stay cables is analyzed using the substructure method.A case study of a cable-stayed steel bridge with a center span of 448 m demonstrates that stay cables undergo large displacements in the primary mode of the whole bridge although,in general,a cable's local vibrations are not obvious.The road surface roughness has significant effects on the interaction force between the deck and vehicle but little effect on the global response of the bridge.Load impact factors of the main girder and tower are small,and the impact factors of the tension of cables are larger than those of the displacements of girders and towers.

  4. Dynamic Characteristics of Flow Induced Vibration in a Rotor-Seal System

    Directory of Open Access Journals (Sweden)

    Nan Zhang

    2011-01-01

    Full Text Available Flow induced vibration is an important factor affecting the performance of the rotor-seal system. From the point of view of flow induced vibration, the nonlinear models of the rotor-seal system are presented for the analysis of the fluid force, which is induced by the interaction between the unstable fluid flow in the seal and the vibrating rotor. The nonlinear characteristics of flow induced vibration in the rotor-seal system are analyzed, and the nonlinear phenomena in the unbalanced rotor-seal system are investigated using the nonlinear models. Various nonlinear phenomena of flow induced vibration in the rotor-seal system, such as synchronization phenomenon and amplitude mutation, are reproduced.

  5. Influence of vibration in the reactive scattering of D + MuH: the effect of dynamical bonding.

    Science.gov (United States)

    Sáez-Rábanos, V; Verdasco, J E; Aoiz, F J; Herrero, V J

    2016-05-21

    The dynamics of the D + MuH(v = 1) reaction has been investigated using time-independent quantum mechanical calculations. The total reaction cross sections and rate coefficients have been calculated for the two exit channels of the reaction leading, respectively, to DMu + H and DH + Mu. Over the 100-1000 K temperature range investigated the rate coefficients for the DMu + H channel are of the order of 10(-10) cm(3) s(-1) and those for the DH + Mu channel vary between 1 × 10(-12) and 8 × 10(-11) cm(3) s(-1). These results point to a virtually barrierless reaction for the DMu + H channel and to the presence of a comparatively small barrier for the DH + Mu channel and are consistent with the profiles of their respective collinear vibrationally adiabatic potentials (VAPs). The effective barrier in the VAP of the DH + Mu channel is located in the reactant valley and, consequently, translation is found to be more efficient than vibration for the promotion of the reaction over a large energy interval in the post threshold region. Below this barrier, the DH + Mu channel can be accessible through an indirect mechanism implying crossing from the DMu + H pathway. The most salient feature found in the present study is revealed in the total reaction cross section for the DMu + H channel, which shows a sharp resonance caused by the presence of a deep well in the vibrationally adiabatic potential. This well has a dynamical origin, reminiscent of that found recently in the vibrationally bonded BrMuBr complex [Fleming, et al., Angew. Chem., Int. Ed., 2014, 53, 1], and is due to the stabilizing effect of the light Mu atom oscillating between the heavier H and D isotopes and to the bond softening associated with vibrational excitation of MuH.

  6. Dynamic Features of the Highly Excited Vibrational States of the HOCl Non-Integrable System Based on the Dynamic Potential and Lyapunov Exponent Approaches.

    Science.gov (United States)

    Wang, Aixing; Fang, Chao; Liu, Yibao

    2017-01-07

    In this article the dynamic features of the highly excited vibrational states of the hypochlorous acid (HOCl) non-integrable system are studied using the dynamic potential and Lyapunov exponent approaches. On the condition that the 3:1 resonance between the H-O stretching and H-O-Cl bending modes accompany the 2:1 Fermi resonance between the O-Cl stretching and H-O-Cl bending modes, it is found that the dynamic potentials of the highly excited vibrational states vary regularly with different Polyad numbers (P numbers). As the P number increases, the dynamic potentials of the H-O stretching mode remain the same, but those of the H-O-Cl bending mode gradually become complex. In order to investigate the chaotic and stable features of the highly excited vibrational states of the HOCl non-integrable system, the Lyapunov exponents of different energy levels lying in the dynamic potentials of the H-O-Cl bending mode (P = 4 and 5) are calculated. It is shown that the Lyapunov exponents of the energy levels staying in the junction of Morse potential and inverse Morse potential are relative large, which indicates the degrees of chaos for these energy levels is relatively high, but the stabilities of the corresponding states are good. These results could be interpreted as the intramolecular vibrational relaxation (IVR) acting strongly via the HOCl bending motion and causing energy transfers among different modes. Based on the previous studies, these conclusions seem to be generally valid to some extent for non-integrable triatomic molecules.

  7. The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine

    Science.gov (United States)

    Trachsel, Maria A.; Wiedmer, Timo; Blaser, Susan; Frey, Hans-Martin; Li, Quansong; Ruiz-Barragan, Sergi; Blancafort, Lluís; Leutwyler, Samuel

    2016-10-01

    We have investigated the S0 → S1 UV vibronic spectrum and time-resolved S1 state dynamics of jet-cooled amino-keto 1-methylcytosine (1MCyt) using two-color resonant two-photon ionization, UV/UV holeburning and depletion spectroscopies, as well as nanosecond and picosecond time-resolved pump/delayed ionization measurements. The experimental study is complemented with spin-component-scaled second-order coupled-cluster and multistate complete active space second order perturbation ab initio calculations. Above the weak electronic origin of 1MCyt at 31 852 cm-1 about 20 intense vibronic bands are observed. These are interpreted as methyl group torsional transitions coupled to out-of-plane ring vibrations, in agreement with the methyl group rotation and out-of-plane distortions upon 1ππ∗ excitation predicted by the calculations. The methyl torsion and ν1 ' (butterfly) vibrations are strongly coupled, in the S1 state. The S0 → S1 vibronic spectrum breaks off at a vibrational excess energy Eexc ˜ 500 cm-1, indicating that a barrier in front of the ethylene-type S1⇝S0 conical intersection is exceeded, which is calculated to lie at Eexc = 366 cm-1. The S1⇝S0 internal conversion rate constant increases from kIC = 2 ṡ 109 s-1 near the S1(v = 0) level to 1 ṡ 1011 s-1 at Eexc = 516 cm-1. The 1ππ∗ state of 1MCyt also relaxes into the lower-lying triplet T1 (3ππ∗) state by intersystem crossing (ISC); the calculated spin-orbit coupling (SOC) value is 2.4 cm-1. The ISC rate constant is 10-100 times lower than kIC; it increases from kISC = 2 ṡ 108 s-1 near S1(v = 0) to kISC = 2 ṡ 109 s-1 at Eexc = 516 cm-1. The T1 state energy is determined from the onset of the time-delayed photoionization efficiency curve as 25 600 ± 500 cm-1. The T2 (3nπ∗) state lies >1500 cm-1 above S1(v = 0), so S1⇝T2 ISC cannot occur, despite the large SOC parameter of 10.6 cm-1. An upper limit to the adiabatic ionization energy of 1MCyt is determined as 8.41 ± 0.02 e

  8. Tri-directional shaking table tests of vibration sensitive equipment with static dynamics interchangeable-ball pendulum system

    Science.gov (United States)

    Tsai, C. S.; Lin, Yung-Chang; Chen, Wen-Shin; Su, H. C.

    2010-03-01

    Recently, the high-tech industry has become a key industry for economic development in many countries. However, vibration sensitive equipment located in these industrial buildings is vulnerable during earthquakes, which may cause huge economic loss. In this study, an innovative isolator for safeguarding the vibration sensitive equipment, namely, the static dynamics interchangeable-ball pendulum system (SDI-BPS) is proposed and investigated to examine its protective capability for the vibration sensitive equipment during earthquakes through a series of tri-directional shaking table tests. The experimental results illustrate that the SDI-BPS isolator can provide significant damping to rolling types of base isolation systems for reducing the bearing displacement and size, and avoid the stress concentration, which can cause damage or scratches on the rolling surface of the isolator, to prolong its life span of service. The SDI-BPS isolator also provides excellent capability in protecting the vibration sensitive equipment and exhibits a stable behavior under long terms of service loadings and earthquakes.

  9. Theory and Normal Mode Analysis of Change in Protein Vibrational Dynamics on Ligand Binding

    Energy Technology Data Exchange (ETDEWEB)

    Mortisugu, Kei [RIKEN, Japan; Njunda, Brigitte [Computational Molecular Biophysics, Interdisciplinary Center for Scientific Computing (IWR); Smith, Jeremy C [ORNL

    2009-12-01

    The change of protein vibrations on ligand binding is of functional and thermodynamic importance. Here, this process is characterized using a simple analytical 'ball-and-spring' model and all-atom normal-mode analysis (NMA) of the binding of the cancer drug, methotrexate (MTX) to its target, dihydrofolate reductase (DHFR). The analytical model predicts that the coupling between protein vibrations and ligand external motion generates entropy-rich, low-frequency vibrations in the complex. This is consistent with the atomistic NMA which reveals vibrational softening in forming the DHFR-MTX complex, a result also in qualitative agreement with neutron-scattering experiments. Energy minimization of the atomistic bound-state (B) structure while gradually decreasing the ligand interaction to zero allows the generation of a hypothetical 'intermediate' (I) state, without the ligand force field but with a structure similar to that of B. In going from I to B, it is found that the vibrational entropies of both the protein and MTX decrease while the complex structure becomes enthalpically stabilized. However, the relatively weak DHFR:MTX interaction energy results in the net entropy gain arising from coupling between the protein and MTX external motion being larger than the loss of vibrational entropy on complex formation. This, together with the I structure being more flexible than the unbound structure, results in the observed vibrational softening on ligand binding.

  10. Vibrational branching ratios and shape resonant photoionization dynamics in N2O

    Science.gov (United States)

    Braunstein, M.; McKoy, V.

    1989-02-01

    Accurate photoelectron continuum orbitals are used to study vibrational branching ratios and photoelectron asymmetry parameters for alternative vibrational modes in the photoionization of N2O (7sigma exp -1). The strong non-Franck-Dondon vibrational ion distributions for the symmetric and antisymmetric stretching modes at low photoelectron energies observed in the dispersed ionic fluorescence measurements of Poliakoff et al. (1986) are confirmed. It is shown that these features arise from a sigma shape resonance which is associated with the molecular framework as a whole and not with either of its fragments, N-N or N-O.

  11. Influence of dynamic soil-structure interaction on building response to ground vibration

    DEFF Research Database (Denmark)

    Andersen, Lars Vabbersgaard

    2014-01-01

    Vibration from traffic and pile driving are an increasing problem in densely populated areas. To assess vibration levels in new or existing buildings near construction sites, roads or railways in the design phase, valid models for prediction of wave transmission via the ground and into a building...... must be used. In this regard it is often assumed that a no significant back coupling from the building to the ground exists. Thus, a model with free-field vibrations from the ground provides input at the base of the building model. The aim of the present paper is to examine whether—and to which extent...

  12. Influence of light-induced conical intersection on the photodissociation dynamics of D2(+) starting from individual vibrational levels.

    Science.gov (United States)

    Halász, Gábor J; Csehi, András; Vibók, Ágnes; Cederbaum, Lorenz S

    2014-12-26

    Previous works have shown that dressing of diatomic molecules by standing or by running laser waves gives rise to the appearance of so-called light-induced conical intersections (LICIs). Because of the strong nonadiabatic couplings, the existence of such LICIs may significantly change the dynamical properties of a molecular system. In our former paper (J. Phys. Chem. A 2013, 117, 8528), the photodissociation dynamics of the D(2)(+) molecule were studied in the LICI framework starting the initial vibrational nuclear wave packet from the superposition of all the vibrational states initially produced by ionizing D(2). The present work complements our previous investigation by letting the initial nuclear wave packets start from different individual vibrational levels of D(2)(+), in particular, above the energy of the LICI. The kinetic energy release spectra, the total dissociation probabilities, and the angular distributions of the photofragments are calculated and discussed. An interesting phenomenon has been found in the spectra of the photofragments. Applying the light-induced adiabatic picture supported by LICI, explanations are given for the unexpected structure of the spectra.

  13. A High-Speed Vision-Based Sensor for Dynamic Vibration Analysis Using Fast Motion Extraction Algorithms.

    Science.gov (United States)

    Zhang, Dashan; Guo, Jie; Lei, Xiujun; Zhu, Changan

    2016-04-22

    The development of image sensor and optics enables the application of vision-based techniques to the non-contact dynamic vibration analysis of large-scale structures. As an emerging technology, a vision-based approach allows for remote measuring and does not bring any additional mass to the measuring object compared with traditional contact measurements. In this study, a high-speed vision-based sensor system is developed to extract structure vibration signals in real time. A fast motion extraction algorithm is required for this system because the maximum sampling frequency of the charge-coupled device (CCD) sensor can reach up to 1000 Hz. Two efficient subpixel level motion extraction algorithms, namely the modified Taylor approximation refinement algorithm and the localization refinement algorithm, are integrated into the proposed vision sensor. Quantitative analysis shows that both of the two modified algorithms are at least five times faster than conventional upsampled cross-correlation approaches and achieve satisfactory error performance. The practicability of the developed sensor is evaluated by an experiment in a laboratory environment and a field test. Experimental results indicate that the developed high-speed vision-based sensor system can extract accurate dynamic structure vibration signals by tracking either artificial targets or natural features.

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

    Science.gov (United States)

    Wang, Liang; Liu, Weimin; Fang, Chong

    2015-07-14

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

  15. Quantum and classical vibrational relaxation dynamics of N-methylacetamide on ab initio potential energy surfaces

    CERN Document Server

    Fujisaki, Hiroshi; Hirao, Kimihiko; Straub, John E; Stock, Gerhard

    2008-01-01

    Employing extensive quantum-chemical calculations at the DFT/B3LYP and MP2 level, a quartic force field of isolated N-methylacetamide is constructed. Taking into account 24 vibrational degrees of freedom, the model is employed to perform numerically exact vibrational configuration interaction calculations of the vibrational energy relaxation of the amide I mode. It is found that the energy transfer pathways may sensitively depend on details of the theoretical description. Moreover, the exact reference calculations were used to study the applicability and accuracy of (i) the quasiclassical trajectory method, (ii) time-dependent second-order perturbation theory, and (iii) the instantaneous normal mode description of frequency fluctuations. Based on the results, several strategies to describe vibrational energy relaxation in biomolecular systems are discussed.

  16. Dynamic equilibrium under vibrations of H₂ liquid-vapor interface at various gravity levels.

    Science.gov (United States)

    Gandikota, G; Chatain, D; Lyubimova, T; Beysens, D

    2014-06-01

    Horizontal vibration applied to the support of a simple pendulum can deviate from the equilibrium position of the pendulum to a nonvertical position. A similar phenomenon is expected when a liquid-vapor interface is subjected to strong horizontal vibration. Beyond a threshold value of vibrational velocity the interface should attain an equilibrium position at an angle to the initial horizontal position. In the present paper experimental investigation of this phenomenon is carried out in a magnetic levitation device to study the effect of the vibration parameters, gravity acceleration, and the liquid-vapor density on the interface position. The results compare well with the theoretical expression derived by Wolf [G. H. Wolf, Z. Phys. B 227, 291 (1969)].

  17. An electro-dynamic 3-dimensional vibration test bed for engineering testing

    Science.gov (United States)

    Saadatzi, Mohammadsadegh; Saadatzi, Mohammad Nasser; Ahmed, Riaz; Banerjee, Sourav

    2017-04-01

    Primary objective of the work is to design, fabrication and testing of a 3-dimensional Mechanical vibration test bed. Vibration testing of engineering prototype devices in mechanical and industrial laboratories is essential to understand the response of the envisioned model under physical excitation conditions. Typically, two sorts of vibration sources are available in physical environment, acoustical and mechanical. Traditionally, test bed to simulate unidirectional acoustic or mechanical vibration is used in engineering laboratories. However, a device may encounter multiple uncoupled and/or coupled loading conditions. Hence, a comprehensive test bed in essential that can simulate all possible sorts of vibration conditions. In this article, an electrodynamic vibration exciter is presented which is capable of simulating 3-dimensional uncoupled (unidirectional) and coupled excitation, in mechanical environments. The proposed model consists of three electromagnetic shakers (for mechanical excitation). A robust electrical control circuit is designed to regulate the components of the test bed through a self-developed Graphical User Interface. Finally, performance of the test bed is tested and validated using commercially available piezoelectric sensors.

  18. β-Isocyanoalanine as an IR probe: comparison of vibrational dynamics between isonitrile and nitrile-derivatized IR probes.

    Science.gov (United States)

    Maj, Michał; Ahn, Changwoo; Kossowska, Dorota; Park, Kwanghee; Kwak, Kyungwon; Han, Hogyu; Cho, Minhaeng

    2015-05-07

    An infrared (IR) probe based on isonitrile (NC)-derivatized alanine 1 was synthesized and the vibrational properties of its NC stretching mode were investigated using FTIR and femtosecond IR pump-probe spectroscopy. It is found that the NC stretching mode is very sensitive to the hydrogen-bonding ability of solvent molecules. Moreover, its transition dipole strength is larger than that of nitrile (CN) in nitrile-derivatized IR probe 2. The vibrational lifetime of the NC stretching mode is found to be 5.5 ± 0.2 ps in both D2O and DMF solvents, which is several times longer than that of the azido (N3) stretching mode in azido-derivatized IR probe 3. Altogether these properties suggest that the NC group can be a very promising sensing moiety of IR probes for studying the solvation structure and dynamics of biomolecules.

  19. RELATIONSHIP BETWEEN DAMAGE AND CHANGE OF DYNAMIC CHARACTERISTICS IN AN EXISTING BRIDGE FOR VIBRATION-BASED STRUCTURAL HEALTH MONITORING

    Science.gov (United States)

    Miyashita, Takeshi; Tamada, Kazuya; Liu, Cuiping; Iwasaki, Hidenori; Nagai, Masatsugu

    The objective of this study is to understand the relationship between damage and the change of dynamic characteristics in an existing bridge for vibration-based structural health monitoring. Focused bridge is a demolished pedestrian bridge, which is a composite steel girder with two main girders. The first damages are slits by gas cutting, which are given to a lower flange in the lateral direction. Then, outstanding plate in the lower flange is removed along the span. Vibration measurement was carried out in each damage case. As a result, it was confirmed that natural frequencies decreased depending on the progress of damage. Its reduction rate was greater in the modes without torsion. For reproducible analysis, spectral element and finite element analyses were carried out. Analytical results also showed the similar reduction of natural frequencies to measurement.

  20. Collective excitations in liquid DMSO : FIR spectrum, Low frequency vibrational density of states and ultrafast dipolar solvation dynamics

    CERN Document Server

    Hazra, Milan

    2016-01-01

    Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime. For DMSO, collective excitations as well as single molecule stretches and bends have been measured by different kinds of experiments such as OHD-RIKES and terahertz spectroscopy. In the present work we investigate the intermolecular vibrational spectrum of DMSO through three different computational techniques namely (i) the far-infra red spectrum obtained through Fourier transform of total dipole moment auto time correlation function, (ii) from Fourier transform of the translational and angular velocity time autocorrelation functions and a (iii) quenched normal mode analysis of the parent liquid at 300K. The three spectrum, although exhibit differences among each other, reveal similar features which are in good, semi-quantitative, agreement with experimental results. Study of participation ratio of the density...

  1. Local vibrational dynamics of hematite (α-Fe{sub 2}O{sub 3}) studied by extended x-ray absorption fine structure and molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sanson, A., E-mail: andrea.sanson@unipd.it [Dipartimento di Fisica e Astronomia - Università di Padova, Padova (Italy); Mathon, O.; Pascarelli, S. [ESRF - European Synchrotron Radiation Facility, Grenoble (France)

    2014-06-14

    The local vibrational dynamics of hematite (α-Fe{sub 2}O{sub 3}) has been investigated by temperature-dependent extended x-ray absorption fine structure spectroscopy and molecular dynamics simulations. The local dynamics of both the short and long nearest-neighbor Fe–O distances has been singled out, i.e., their local thermal expansion and the parallel and perpendicular mean-square relative atomic displacements have been determined, obtaining a partial agreement with molecular dynamics. No evidence of the Morin transition has been observed. More importantly, the strong anisotropy of relative thermal vibrations found for the short Fe–O distance has been related to its negative thermal expansion. The differences between the local dynamics of short and long Fe–O distances are discussed in terms of projection and correlation of atomic motion. As a result, we can conclude that the short Fe–O bond is stiffer to stretching and softer to bending than the long Fe–O bond.

  2. Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

    Science.gov (United States)

    Schulze, Jan; Shibl, Mohamed F.; Al-Marri, Mohammed J.; Kühn, Oliver

    2016-05-01

    The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitations. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation.

  3. Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) Approach to the Correlated Exciton-Vibrational Dynamics in the FMO Complex

    CERN Document Server

    Schulze, Jan; Al-Marri, Mohammed; Kühn, Oliver

    2016-01-01

    The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson (FMO) complex. This includes a seven and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitation. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically-assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation.

  4. Reasons and laws of ground vibration amplification induced by vertical dynamic load

    Institute of Scientific and Technical Information of China (English)

    马蒙; 刘维宁; 孙宁; 王文斌

    2014-01-01

    The phenomenon of ground vibration amplification caused by railway traffic was found and proved. In order to study the reasons which cause the amplification, a drop-weight test was performed. Then, the model for both homogeneous and layered soil subjected to a harmonic vertical load was built. With the help of this model, displacement Green’s function was calculated and the propagation laws of ground vibration responses were discussed. Results show that: 1) When applying a harmonic load on the half-space surface, the amplitude of ground vibrations attenuate with fluctuation, which is caused by the superposition of bulk and Rayleigh waves. 2) Vibration amplification can be enlarged under the conditions of embedded source and the soil layers. 3) In practice, the fluctuant attenuation should be paid attention to especially for the vibration receivers who are sensitive to single low frequencies (<10 Hz). Moreover, for the case of embedded loads, it should also be paid attention to that the receivers are located at the place where the horizontal distance is similar to embedded depth, usually 10 to 30 m for metro lines.

  5. Improved non-dimensional dynamic influence function method for vibration analysis of arbitrarily shaped plates with clamped edges

    Directory of Open Access Journals (Sweden)

    Sang-Wook Kang

    2016-03-01

    Full Text Available A new formulation for the non-dimensional dynamic influence function method, which was developed by the authors, is proposed to efficiently extract eigenvalues and mode shapes of clamped plates with arbitrary shapes. Compared with the finite element and boundary element methods, the non-dimensional dynamic influence function method yields highly accurate solutions in eigenvalue analysis problems of plates and membranes including acoustic cavities. However, the non-dimensional dynamic influence function method requires the uneconomic procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues because it produces a non-algebraic eigenvalue problem. This article describes a new approach that reduces the problem of free vibrations of clamped plates to an algebraic eigenvalue problem, the solution of which is straightforward. The validity and efficiency of the proposed method are illustrated through several numerical examples.

  6. Optical Kerr effect of liquid water: a new insight into the vibrational and structural dynamics

    CERN Document Server

    Taschin, A; Eramo, R; Righini, R; Torre, R

    2013-01-01

    The liquid and supercooled states of water show a series of anomalies whose nature is lively debated. A key role is attributed to the formation of structural aggregations induced by critical phenomena occurring deep in the supercooled region, not experimentally accessible for bulk water. This explain why, despite the numerous experimental investigations, the nature of water anomalies and the hidden critical processes remain elusive. Here we present a time-resolved optical Kerr effect investigation of the vibrational and relaxation processes in supercooled bulk water. The experiment measures the water intermolecular vibrations and the structural relaxation process in an extended temperature range, and with unpreceded data quality. A mode-coupling analysis of the experimental data allows the characterization of the intermolecular vibrational modes and of their interplay with the structural relaxation process.

  7. Fractal Theory and Contact Dynamics Modeling Vibration Characteristics of Damping Blade

    Directory of Open Access Journals (Sweden)

    Ruishan Yuan

    2014-01-01

    Full Text Available The contact surface structure of dry friction damper is complicate, irregular, and self-similar. In this paper, contact surface structure is described with the fractal theory and damping blade is simplified as 2-DOF cantilever beam model with lumped masses. By changing the position of the damper, lacing and shroud structure are separately simulated to study vibration absorption effect of damping blade. The results show that both shroud structure and lacing could not only dissipate energy but also change stiffness of blade. Under the same condition of normal pressure and contact surface, the damping effect of lacing is stronger than that of shroud structure. Meanwhile, the effect on changing blade stiffness of shroud structure is stronger than that of lacing. This paper proposed that there is at least one position of the blade, at which the damper dissipates the most vibration energy during a vibration cycle.

  8. Ultrafast All-optical Modulation Exploiting the Vibrational Dynamic of Metallic Meta-atoms

    CERN Document Server

    Dong, Biqin; Zhou, Fan; Wang, Chen; Zhang, Hao F; Sun, Cheng

    2015-01-01

    Optical control over elementary molecular vibration establishes fundamental capabilities for exploiting the broad range of optical linear and nonlinear phenomena. However, experimental demonstration of the coherently driven molecular vibration remains a challenge task due to the weak optical force imposed on natural materials. Here we report the design of "meta-atom" that exhibits giant artificial optical nonlinearity. These "meta-atoms" support co-localized magnetic resonance at optical frequency and vibration resonance at GHz frequency with a deep-sub-diffraction-limit spatial confinement (${\\lambda}^2/100$). The coherent coupling of those two distinct resonances manifests a strong optical force, which is fundamentally different from the commonly studied form of radiation forces, the gradient forces, or photo-thermal induced deformation. It results in a giant third-order susceptibility $\\chi^{(3)}$ of $10^{-13}$ $m^2$/$V^2$, which is more than six orders of magnitude larger than that found in natural materi...

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

    Science.gov (United States)

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

    2015-10-01

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

  10. Comparison Study on the Exact Dynamic Stiffness Method for Free Vibration of Thin and Moderately Thick Circular Cylindrical Shells

    Directory of Open Access Journals (Sweden)

    Xudong Chen

    2016-01-01

    Full Text Available Comparison study on free vibration of circular cylindrical shells between thin and moderately thick shell theories when using the exact dynamic stiffness method (DSM formulation is presented. Firstly, both the thin and moderately thick dynamic stiffness formulations are examined. Based on the strain and kinetic energy, the vibration governing equations are expressed in the Hamilton form for both thin and moderately thick circular cylindrical shells. The dynamic stiffness is assembled in a similar way as that in classic skeletal theory. With the employment of the Wittrick-Williams algorithm, natural frequencies of circular cylindrical shells can be obtained. A FORTRAN code is written and used to compute the modal characteristics. Numerical examples are presented, verifying the proposed computational framework. Since the DSM is an exact approach, the advantages of high accuracy, no-missing frequencies, and good adaptability to various geometries and boundary conditions are demonstrated. Comprehensive parametric studies on the thickness to radius ratio (h/r and the length to radius ratio (L/r are performed. Applicable ranges of h/r are found for both thin and moderately thick DSM formulations, and influences of L/r on frequencies are also investigated. The following conclusions are reached: frequencies of moderately thick shells can be considered as alternatives to those of thin shells with high accuracy where  h/r is small and L/r is large, without any observation of shear locking.

  11. Study the vibration and dynamic response of the dipole girder system for CSNS/RCS

    OpenAIRE

    Renhong, Liu; Min, Wang; Junsong, Zhang; GuangYuan, Wang

    2015-01-01

    China Spallation Neutron Source is a high intensity proton accelerator based facility, and its accelerator complex includes two main parts an H- linac and a rapid cycling synchrotron. The RCS accumulates the 80MeV proton beam, and accelerates it to 1.6GeV, with a repetition rate of 25Hz. The dipole of the CSNS RCS is operated at a 25 Hz sinusoidal alternating current which causes severe vibrate. The vibration will influence the long term safety and reliable operation of the magnet. The dipole...

  12. Dynamics of rotating and vibrating thin hemispherical shell with mass and damping imperfections and parametrically driven by discrete electrodes

    CSIR Research Space (South Africa)

    Shatalov, M

    2009-05-01

    Full Text Available stream_source_info Shatalov2_2009.pdf.txt stream_content_type text/plain stream_size 22572 Content-Encoding UTF-8 stream_name Shatalov2_2009.pdf.txt Content-Type text/plain; charset=UTF-8 1 DYNAMICS OF ROTATING... AND VIBRATING THIN HEMISPHERICAL SHELL WITH MASS AND DAMPING IMPERFECTIONS AND PARAMETRICALLY DRIVEN BY DISCRETE ELECTRODES Michael Shatalov1,2 and Charlotta Coetzee2 1Sensor Science and Technology (SST) of CSIR Material Science and Manufacturing (MSM...

  13. Electronic Excited State and Vibrational Dynamics of Water Solution of Cytosine Observed by Time-resolved Transient Absorption Spectroscopy with Sub-10fs Deep Ultraviolet Laser Pules

    Directory of Open Access Journals (Sweden)

    Kobayashi Takayoshi.

    2013-03-01

    Full Text Available Time-resolved transient absorption spectroscopy for water solution of cytosine with sub-10fs deep ultraviolet laser pulse is reported. Ultrafast electronic excited state dynamics and coherent molecular vibrational dynamics are simultaneously observed and their relaxation mechanisms are discussed.

  14. Vibrational spectroscopy and dynamics of W(CO)6 in solid methane as a probe of lattice properties

    Science.gov (United States)

    Thon, Raphael; Chin, Wutharath; Chamma, Didier; Galaup, Jean-Pierre; Ouvrard, Aimeric; Bourguignon, Bernard; Crépin, Claudine

    2016-12-01

    Methane solids present more than one accessible crystalline phase at low temperature at zero pressure. We trap W(CO)6 in CH4 and CD4 matrices between 8 and 35 K to probe the interaction between an impurity and its surrounding molecular solid under various physical conditions. Linear and nonlinear vibrational spectroscopies of W(CO)6 highlight different kinds of interaction and reveal new and remarkable signatures of the phase transition of methane. The structures in the absorption band of the antisymmetric CO stretching mode exhibit a clear modification at the transition between phase II and phase I in CH4 and motional narrowing is observed upon temperature increase. The vibrational dynamics of this mode is probed in stimulated photon echo experiments performed with a femtosecond IR laser. A short component around 10 ps is detected in the population relaxation lifetime in the high temperature phase of solid CH4 (phase I) and disappears at lower temperatures (phase II) where the vibrational lifetime is in the hundreds of ps. The analysis of the nonlinear time-resolved results suggests that the short component comes from a fast energy transfer between the vibrational excitation of the guest and the lattice in specific families of sites. Such fast transfers are observed in the case of W(CO)6 trapped in CD4 because of an energy overlap of the excitation of W(CO)6 and a lattice vibron. In solid CH4, even when these V-V transfers are not efficient, pure dephasing processes due to the molecular nature of the host occur: they are temperature dependent without a clear modification at the phase transition.

  15. Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Chu, P.M.Y.

    1991-10-01

    The vibrational to translational (V{yields}T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V{yields}T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH{sub 3} production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam.

  16. Collision dynamics of methyl radicals and highly vibrationally excited molecules using crossed molecular beams

    Energy Technology Data Exchange (ETDEWEB)

    Chu, Pamela Mei-Ying [Univ. of California, Berkeley, CA (United States)

    1991-10-01

    The vibrational to translational (V→T) energy transfer in collisions between large highly vibrationally excited polyatomics and rare gases was investigated by time-of-flight techniques. Two different methods, UV excitation followed by intemal conversion and infrared multiphoton excitation (IRMPE), were used to form vibrationally excited molecular beams of hexafluorobenzene and sulfur hexafluoride, respectively. The product translational energy was found to be independent of the vibrational excitation. These results indicate that the probability distribution function for V→T energy transfer is peaked at zero. The collisional relaxation of large polyatomic molecules with rare gases most likely occurs through a rotationally mediated process. Photodissociation of nitrobenzene in a molecular beam was studied at 266 nm. Two primary dissociation channels were identified including simple bond rupture to produce nitrogen dioxide and phenyl radical and isomerization to form nitric oxide and phenoxy radical. The time-of-flight spectra indicate that simple bond rupture and isomerization occurs via two different mechanisms. Secondary dissociation of the phenoxy radicals to carbon monoxide and cyclopentadienyl radicals was observed as well as secondary photodissociation of phenyl radical to give H atom and benzyne. A supersonic methyl radical beam source is developed. The beam source configuration and conditions were optimized for CH3 production from the thermal decomposition of azomethane. Elastic scattering of methyl radical and neon was used to differentiate between the methyl radicals and the residual azomethane in the molecular beam.

  17. Dynamic Vibration Analysis of Heavy Vehicle Truck Transmission Gearbox Housing Using FEA

    Directory of Open Access Journals (Sweden)

    Ashwani Kumar

    2014-09-01

    Full Text Available The main objective of this original research article is to study the loose fixture mounting affect of heavy vehicle transmission gearbox housing. The studies were completed in three phases. In first phase the aim was to find the actual suitable boundary condition. After finding the boundary condition in second phase the fixture bolts were loosened to monitor the affect of looseness and in third phase the positional looseness based study were completed. The looseness of transmission housing causes heavy vibration and noise. In order to prevent this noise and vibration the transmission housing is tightly mounted on the chassis frame using bolts. In our design transmission housing is constraint on chassis frame using 37 bolts. Truck transmission system determines the level of noise together with the chassis, engine and bodywork. Vehicle transmissions under torsional vibration condition caused rattling and clattering noises. Reciprocity Principle was used to determine the failure frequencies for transmission housing. In reciprocity principle gear and shafts are suppressed and all the forces transmitted through the bearings are applied on the empty housing. FEA based ANSYS 14.5 has been used as analysis tool. The free vibration frequency for zero displacement condition varies from 1669 Hz to 2865 Hz and for loose transmission casing frequency varies from 1311 Hz to 3110 Hz. The analysis have theoretical and practical aspects and useful for transmission housing structure optimization.

  18. Vibrational dynamics in photoinduced electron transfer. Progress report, December 1, 1992--November 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Spears, K.G.

    1993-09-08

    Objective is to perform a new type of measurement for optically excited electron transfer processes that can provide unique experimental insight into the molecular mechanism of electron transfer. Measurements of optically excited electron transfer are done with picosecond infrared (IR) absorption spectroscopy to monitor the vibrational motions of the molecules immediately after electron transfer. Theory and experiment suggest that molecular vibrations and distortions are important controlling elements for electron transfer, and direct information has yet to be obtained on these elements of electron transfer mechanisms. The second period of funding has been dedicated to finishing technique development and performing studies of electron transfer in ion pair systems to identify if vibrational dependent electron transfer rates are present in this system. We have succeeded in measuring, for the first time, electron transfer rates as a function of vibrational state in an ion pair complex in solution. In a different area of electron transfer research we have proposed a new mechanism of solvent gated electron transfer.

  19. Vibration of hydraulic machinery

    CERN Document Server

    Wu, Yulin; Liu, Shuhong; Dou, Hua-Shu; Qian, Zhongdong

    2013-01-01

    Vibration of Hydraulic Machinery deals with the vibration problem which has significant influence on the safety and reliable operation of hydraulic machinery. It provides new achievements and the latest developments in these areas, even in the basic areas of this subject. The present book covers the fundamentals of mechanical vibration and rotordynamics as well as their main numerical models and analysis methods for the vibration prediction. The mechanical and hydraulic excitations to the vibration are analyzed, and the pressure fluctuations induced by the unsteady turbulent flow is predicted in order to obtain the unsteady loads. This book also discusses the loads, constraint conditions and the elastic and damping characters of the mechanical system, the structure dynamic analysis, the rotor dynamic analysis and the system instability of hydraulic machines, including the illustration of monitoring system for the instability and the vibration in hydraulic units. All the problems are necessary for vibration pr...

  20. Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band

    Science.gov (United States)

    Xie, Changjian; Zhu, Xiaolei; Ma, Jianyi; Yarkony, David R.; Xie, Daiqian; Guo, Hua

    2015-03-01

    Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH 3 ( X ˜ 1 A 1 ) , full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH 3 ( X ˜ 1 A 1 ) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH 2 ( A ˜ 2 A 1 ) /NH 2 ( X ˜ 2 B 1 ) branching ratio is found to be small regardless of the initial preparation of NH 3 ( X ˜ 1 A 1 ) , while the internal state distribution of the preeminent fragment, NH 2 ( X ˜ 2 B 1 ) , is found to depend strongly on the initial vibrational excitation of NH 3 ( X ˜ 1 A 1 ) . The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH 2 ( X ˜ 2 B 1 ) fragment, rather than in NH 2 ( A ˜ 2 A 1 ) as previously proposed. The high internal excitation of the NH 2 ( X ˜ 2 B 1 ) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH3. Thus in this system, contrary to previous assertions, the control of electronic state branching by selective excitation of ground state vibrational modes is concluded to be ineffective. The juxtaposition of precise quantum mechanical results with complementary results based on quasi-classical surface hopping trajectories provides significant insights into the non-adiabatic process.

  1. A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution.

    Science.gov (United States)

    Yadav, Sushma; Choudhary, Ashu; Chandra, Amalendu

    2017-09-15

    A first-principles molecular dynamics study is presented for the structural, dynamical, vibrational, and dipolar properties of the solvation shell of a nitrate ion in deuterated water. A detailed description of the anisotropic structure of the solvation shell is presented through calculations of various structural distributions in different conical shells around the perpendicular axis of the ion. The nitrate ion-water dimer potential energies are also calculated for many different orientations of water. The average vibrational stretch frequency of OD modes in the solvation shell is found to be higher than that of other OD modes in the bulk, which signifies a weakening of hydrogen bonds in the hydration shell. A splitting of the NO stretch frequencies and an associated fast spectral diffusion of the solute are also observed in the current study. The dynamics of rotation and hydrogen bond relaxation are found to be faster in the hydration shell than that in the bulk water. The residence time of water in the hydration shell is, however, found to be rather long. The nitrate ion is found to have a dipole moment of 0.9 D in water which can be attributed to its fluctuating interactions with the surrounding water.

  2. High-frequency vibration energy harvesting from impulsive excitation utilizing intentional dynamic instability caused by strong nonlinearity

    Science.gov (United States)

    Remick, Kevin; Dane Quinn, D.; Michael McFarland, D.; Bergman, Lawrence; Vakakis, Alexander

    2016-05-01

    The authors investigate a vibration-based energy harvesting system utilizing essential (nonlinearizable) nonlinearities and electromagnetic coupling elements. The system consists of a grounded, weakly damped linear oscillator (primary system) subjected to a single impulsive load. This primary system is coupled to a lightweight, damped oscillating attachment (denoted as nonlinear energy sink, NES) via a neodymium magnet and an inductance coil, and a piano wire, which generates an essential geometric cubic stiffness nonlinearity. Under impulsive input, the transient damped dynamics of this system exhibit transient resonance captures (TRCs) causing intentional large-amplitude and high-frequency instabilities in the response of the NES. These TRCs result in strong energy transfer from the directly excited primary system to the light-weight attachment. The energy is harvested by the electromagnetic elements in the coupling and, in the present case, dissipated in a resistive element in the electrical circuit. The primary goal of this work is to numerically, analytically, and experimentally demonstrate the efficacy of employing this type of intentional high-frequency dynamic instability to achieve enhanced vibration energy harvesting under impulsive excitation.

  3. Nonlinear Dynamics of a Spring-Supported Piston in a Vibrated Liquid-Filled Housing: II. Experiments

    Science.gov (United States)

    O'Hern, T. J.; Torczynski, J. R.; Clausen, J. R.

    2016-11-01

    The nonlinear dynamics of a piston supported by a spring in a vibrated liquid-filled housing is investigated experimentally. The housing containing the piston and the liquid is subjected to vibrations along its axis. A post fixed to the housing penetrates a hole through the piston and produces a flow resistance that depends on piston position. Flexible bellows attached to the housing ends enable the piston, liquid, and bellows to execute a collective motion that forces little liquid through the flow resistance. The low damping of this motion leads to a resonance, at which the flow-resistance nonlinearity produces a net force on the piston that can cause it to compress its spring. Experiments are performed to investigate the nonlinear dynamics of this system, and these results are compared to theoretical and numerical results. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  4. Nonlinear Vibration of a Multirotor System Connected by a Flexible Coupling Subjected to the Holonomic Constraint of Dynamic Angular Misalignment

    Directory of Open Access Journals (Sweden)

    M. Li

    2012-01-01

    Full Text Available This paper proposes a mathematical model of the multirotor system with a flexible coupling on spring supports on Lagrange's approach, which has taken into account the effects of dynamic angular misalignment and mass unbalance. Then its nonlinear dynamic behaviors of the system are discussed based on the method of multiple scales and numerical technique, respectively. The results show that the responses of the system in lateral directions contain a similar component to that of the mass unbalanced system on both the vibrating frequency and amplitude and involve the typical nonlinear components such as the ones from some combined frequencies; the results also reveal that the numerical agreements on the above-mentioned methods are perfect for the transient responses.

  5. Vibrational relaxation dynamics of catalysts on TiO{sub 2} Rutile (1 1 0) single crystal surfaces and anatase nanoporous thin films

    Energy Technology Data Exchange (ETDEWEB)

    Ricks, Allen M.; Anfuso, Chantelle L.; Rodríguez-Córdoba, William; Lian, Tianquan, E-mail: tlian@emory.edu

    2013-08-30

    Highlights: • Investigated vibrational relaxation dynamics of a CO{sub 2}-reduction catalyst on TiO{sub 2} surfaces. • IR pump-vibration sum-frequency generation probe spectroscopy on Rutile (1 1 0) surface. • IR-pump/IR probe transient absorption spectroscopy on nano-crystalline thin films. • CO stretching modes show a ultrafast population equilibration followed by population decay. - Abstract: Time-resolved vibrational sum frequency generation (VSFG) spectroscopy has been used to investigate the vibrational relaxation dynamics of the rhenium bipyridyl CO{sub 2}-reduction catalyst Re(CO){sub 3}Cl(dcbpy) [dcbpy = 4,4′-dicarboxy-2,2′-bipyridine] adsorbed onto the (1 1 0) surface of a Rutile TiO{sub 2} single crystal. IR pump-VSFG probe spectra of the a′(1) CO stretching mode indicate a ultrafast population equilibration between three CO stretching modes followed by their population relaxation via intramolecular vibrational energy transfer. Similar vibational relaxation dynamics was also observed for the same complex on anatase TiO{sub 2} nanocrystalline thin films measured by IR pump-IR probe transient absorption spectroscopy. The relaxation dynamics of ReCOA on TiO{sub 2}, in DMF solution, and immobilized on Au through alkane thiol linkers were compared to examine possible effects of adsorbate-TiO{sub 2} interaction.

  6. Vibrational nano-spectroscopic imaging correlating structure with intermolecular coupling and dynamics.

    Science.gov (United States)

    Pollard, Benjamin; Muller, Eric A; Hinrichs, Karsten; Raschke, Markus B

    2014-04-11

    Molecular self-assembly, the function of biomembranes and the performance of organic solar cells rely on nanoscale molecular interactions. Understanding and control of such materials have been impeded by difficulties in imaging their properties with the desired nanometre spatial resolution, attomolar sensitivity and intermolecular spectroscopic specificity. Here we implement vibrational scattering-scanning near-field optical microscopy with high spectral precision to investigate the structure-function relationship in nano-phase separated block copolymers. A vibrational resonance is used as a sensitive reporter of the local chemical environment and we image, with few nanometre spatial resolution and 0.2 cm(-1) spectral precision, solvatochromic Stark shifts and line broadening correlated with molecular-scale morphologies. We discriminate local variations in electric fields between nano-domains with quantitative agreement with dielectric continuum models. This ability to directly resolve nanoscale morphology and associated intermolecular interactions can form a basis for the systematic control of functionality in multicomponent soft matter systems.

  7. The fundamental role of localised vibrations in excitation dynamics in photosynthetic light-harvesting systems

    CERN Document Server

    Kolli, Avinash; Scholes, Gregory D; Olaya-Castro, Alexandra

    2012-01-01

    The importance of fast vibrations in enhancing and controlling energy transfer and conversion in biomolecules is an issue of current debate. In this article we show that coupling between localised high-frequency vibrations and electronic degrees of freedom is fundamental for efficient excitation transport in photosynthetic light-harvesting systems with high degree of disorder. We consider the cryptophyte antennae protein phycoerythrin 545 and discuss how the balance between electronic interactions and coupling to fast vibronic modes supports the biological function of these antennae by generating a non-cascaded transport that leads to a rapid, directed and wider spatial distribution of excitation energy across the complex. Furthermore, we illustrate signatures of vibronic influence in the beating of excitonic coherences and show that mechanisms supporting coherent evolution of excitons also assist coupling to selected modes that enhance energy transfer to preferential sites in the complex. We therefore argue ...

  8. Lateral Vibration Attenuation by the Dynamic Adjustment of Bias Currents in Magnetic Suspension System

    Science.gov (United States)

    Mizuno, Takeshi; Takasaki, Masaya; Ishino, Yuji

    2016-09-01

    Switching stiffness control is applied to attenuate vibration in the lateral directions in an active magnetic suspension system with electromagnets operated in differential mode. The magnetic suspension system using the attractive force between magnetized bodies is inherently unstable in the normal direction so that feedback control is necessary to achieve stable suspension. In contrast, it can be stable in the lateral directions due to the edge effects in the magnetic circuits. In several applications, such passive suspension is used in combination with the active one to reduce cost and space. However, damping in the lateral directions is generally small. As a result, induced vibrations in these directions are hardly attenuated. To suppress such vibration without any additional actuator (electromagnet), switching stiffness control is applied to an magnetic suspension system operated in the differential mode. The stiffness in the lateral direction is adjusted by varying the bias currents of an opposed pair of electromagnets located in the normal direction simultaneously according to the motion of the suspended object. When the varied bias currents are adjusted for the additive normal forces cancel each other, such control does not affect the suspension in the normal direction. The effectiveness of the proposed control methods is confirmed experimentally.

  9. Piezoelectric vibration-driven locomotion systems - Exploiting resonance and bistable dynamics

    Science.gov (United States)

    Fang, Hongbin; Wang, K. W.

    2017-03-01

    While a piezoelectric-based vibration-driven system is an excellent candidate for actuating small-size crawling-type locomotion robots, it has the major drawback of limited stroke output that would severely constraint the system's locomotion performance. In this paper, to advance the state of the art, we propose two novel designs of piezoelectric vibration-driven locomotion systems. The first utilizes the resonant amplification concept, and the second explores the design of a bistable device. While these two ideas have been explored for piezoelectric actuation amplification in general, they have never been exploited for crawling-type robotic locomotion. Numerical analyses on both systems reveal that resonance and bistability can substantially increase the systems' average locomotion speed. Moreover, this research shows that with bistability, the system is able to output high average locomotion speed in a wider frequency band, possess multiple locomotion modes, and achieve fast switches among them. Through proof-of-concept prototypes, the predicted locomotion performance improvements brought by resonance and bistability are verified. Finally, the basin stability is evaluated to systematically describe the occurring probability of certain locomotion behavior of the bistable system, which would provide useful guideline to the design and control of bistable vibration-driven locomotion systems.

  10. Vibrational properties of uracil

    Institute of Scientific and Technical Information of China (English)

    WANG Zhiping; ZHANG Fengshou; ZENG Xianghua; ZHOU Hongyu; GU Bin; CHENG Wei

    2006-01-01

    A semiempirical molecular dynamics model is developed to study the vibrational frequencies of uracil at very low kinetic temperature by using the Fourier transform of velocity autocorrelation function of trajectories of molecular dynamics simulations. The finite difference harmonic method is used to assign the vibrational frequency of each mode. The calculated frequencies are found to be in good agreement with experimental measurements. Moreover, we make up for the lost vibrational modes in experiments self-consistently. A total of 30 vibrational modes and their corresponding frequencies are reported.

  11. Analysis of the Dynamic Response of a Shield Tunnel in Soft Soil Under a Metro-Train Vibrating Load

    Institute of Scientific and Technical Information of China (English)

    DENG Fei-huang; MO Hai-hong; ZENG Qing-jun; YANG Xiao-jie

    2006-01-01

    This paper concerns the impact of an operating metro train on the structure of a shield tunnel lining and its soft foundation. An elastoplastic 3D dynamic finite difference model was established by using the FLAC3D numerical software. By fully considering the joints, the A-B-K segments and the soft stratum, the dynamic response of the shield tunnel buried in thick, soft soil under the vibrating load induced by a metro train was numerically simulated. The simulation result, for which the joint was considered, was compared with the result when the joint was not considered. The results show that an operating metro train induces a significant dynamic response in the structure of the lining of the shield tunnel and its soft foundation. The severe dynamic response zones of the lining structure are largely distributed in the range of the lower half of the segment-ring and the nearer to the bottom of the segment-ring, the more severe the response. Of two horizontally symmetric, corresponding places on the segment lining, the one near the joint is more severe in its dynamic response than that of the one far from the joint; the nearer the zone of the foundation soil to the lower half of the segment-ring, the more severe the dynamic response. The maximum shear strain of the foundation soil takes place near the joint between two normal segments at the bottom. The dynamic response influenced by joints is more severe than the response not influenced by joints, showing that the non-joint assumption is somewhat impractical.

  12. Dynamics of supercritical methanol of varying density from first principles simulations: hydrogen bond fluctuations, vibrational spectral diffusion, and orientational relaxation.

    Science.gov (United States)

    Yadav, Vivek Kumar; Chandra, Amalendu

    2013-06-14

    A first principles study of the dynamics of supercritical methanol is carried out by means of ab initio molecular dynamics simulations. In particular, the fluctuation dynamics of hydroxyl stretch frequencies, hydrogen bonds, dangling hydroxyl groups, and orientation of methanol molecules are investigated for three different densities at 523 K. Apart from the dynamical properties, various equilibrium properties of supercritical methanol such as the local density distributions and structural correlations, hydrogen bonding aspects, frequency-structure correlations, and dipole distributions of methanol molecules are also investigated. In addition to the density dependence of various equilibrium and dynamical properties, their dependencies on dispersion interactions are also studied by carrying out additional simulations using a dispersion corrected density functional for all the systems. It is found that the hydrogen bonding between methanol molecules decreases significantly as we move to the supercritical state from the ambient one. The inclusion of dispersion interactions is found to increase the number of hydrogen bonds to some extent. Calculations of the frequency-structure correlation coefficient reveal that a statistical correlation between the hydroxyl stretch frequency and the nearest hydrogen-oxygen distance continues to exist even at supercritical states of methanol, although it is weakened with increase of temperature and decrease of density. In the supercritical state, the frequency time correlation function is found to decay with two time scales: One around or less than 100 fs and the other in the region of 250-700 fs. It is found that, for supercritical methanol, the times scales of vibrational spectral diffusion are determined by an interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation of methanol molecules and the roles of these various components are found to vary with density of the supercritical solvent. Effects

  13. Hydrogen-bond vibrational and energetic dynamical properties in sI and sII clathrate hydrates and in ice Ih: Molecular dynamics insights.

    Science.gov (United States)

    Chakraborty, Somendra Nath; English, Niall J

    2015-10-21

    Equilibrium molecular dynamics (MD) simulations have been performed on cubic (sI and sII) polymorphs of methane hydrate, and hexagonal ice (ice Ih), to study the dynamical properties of hydrogen-bond vibrations and hydrogen-bond self-energy. It was found that hydrogen-bond energies are greatest in magnitude in sI hydrates, followed by sII, and their energies are least in magnitude in ice Ih. This is consistent with recent MD-based findings on thermal conductivities for these various materials [N. J. English and J. S. Tse, Phys. Rev. Lett. 103, 015901 (2009)], in which the lower thermal conductivity of sI methane hydrate was rationalised in terms of more strained hydrogen-bond arrangements. Further, modes for vibration and energy-transfer via hydrogen bonds in sI hydrate were found to occur at higher frequencies vis-à-vis ice Ih and sII hydrate in both the water-librational and OH⋯H regions because of the more strained nature of hydrogen bonds therein.

  14. Design of Multiple Dynamic Vibration Absorbers for Buffet Control of Vertical Tails%垂尾抖振控制中多重动力吸振器设计

    Institute of Scientific and Technical Information of China (English)

    牛文超; 李斌

    2016-01-01

    Aiming at the need of vertical tail buffet suppression, the eddy current vibration absorber is designed and its parameters is introduced. The optimal design parameters method of the multiple dynamic vibration absorber is deduced to realize the vibration absorber miniaturization. Taking an equivalent cantilever beam system and a scaled vertical tail as the objects respectively for vibration control, considering the actual size of the vibration absorber and the vertical tail, and choosing the reasonable installation position, the vibration absorption effect of the multiple-dynamic-vibration-absorber is verified through the finite element simulation. Simulation results show that the vibration suppression property of the multiple-dynamic-vibration-absorber scheme is very good. Compared to the single large dynamic vibration absorber, the vibration attenuation rate of the quadruple dynamic vibration absorber scheme is increased by 16%, and will be raised by 20%for the ten-dynamic-vibration-absorber scheme.%针对飞机垂尾抖振抑制的需要,进行小型电涡流耗能动力吸振器设计,并推导多重动力吸振器最优参数设计方法。分别以悬臂梁系统和缩比垂尾为被控对象,并考虑动力吸振器与垂尾实际尺寸,选定合理安装位置,通过有限元仿真验证多重动力吸振器吸振性能,仿真结果表明多重动力吸振器具有良好的振动抑制效果,可满足设计预期要求。

  15. Synchrotron infrared spectroscopy at megabar pressures - Vibrational dynamics of hydrogen to 180 GPa

    Science.gov (United States)

    Hanfland, M.; Hemley, R. J.; Mao, H. K.; Williams, G. P.

    1992-01-01

    New techniques for measuring infrared spectra at megabar pressures using synchrotron radiation have been developed and applied to study the Q1(1), Qi(1) + Si(0), and QR(J) vibrational transitions of solid hydrogen to 180 GPa. The frequency difference between the Q1(1) infrared and Raman vibrons increases from 3/cm (zero pressure) to 510/cm (180 GPa), indicating a dramatic increase in intermolecular coupling with pressure. A negative frequency shift is observed for the infrared vibron above 140 GPa. A significant increase in frequency and LO-TO splitting of the lattice phonon is also documented.

  16. The Shock and Vibration Bulletin. Part 4. Damping and Machinery Dynamics

    Science.gov (United States)

    1983-05-01

    VIBRATION CHALLENGES IN J^.CROELECTRONICS MANUFACTURING Dr. Eric Ungar, Bolt Beranek and Newman, Inc., Cambridge, MA and Colin G. Gordon, Bolt...effect of AarodynasAe Daaping on the Forced Response of Bladed Discs", Report No.2, 8.R.C. Oontaeti M/tO 5103.8, Zi^ erical College of Science... Erikson , L.H. Settelman, "Transient response analysis of danped rotor systems by the normal mode method", A.S.M.E. paper 75 GT 58. 110 äi^fe£ä&^^ ■PnV

  17. Dynamical Lie algebra method for highly excited vibrational state of asymmetric linear tetratomic molecules

    Institute of Scientific and Technical Information of China (English)

    冯东太; 丁世良; 王美山

    2003-01-01

    The highly excited vibrational states of asymmetric linear tetratomic molecules are studied in the framework of Lie algebra. By using symmetric group U1(4) U2(4) U3(4), we construct the Hamiltonian that includes not only Casimir operators but also Majorana operators M12,M13 and M23, which are useful for getting potential energy surface and force constants in Lie algebra method. By Lie algebra treatment, we obtain the eigenvalues of the Hamiltonian, and make the concrete calculation for molecule C2HF.

  18. Dynamic Characteristics of a Tall Building Identified from Earthquake and Ambient Vibration Records

    OpenAIRE

    Andone Cristian; Demetriu Sorin; Aldea Alexandru

    2015-01-01

    The paper presents the modal characteristics of a tall building in Bucharest (BRD-SG Tower) identified from earthquake and ambient vibration records. The building was built in the early 2000’s and has a reinforced concrete structure (inner shear wall tube and perimeter frames) with 3 underground stories, ground floor and 18 stories. The seismic instrumentation of the building consists of a seismic station with two triaxial acceleration sensors located at the top of the building (+69.6 m) and ...

  19. Relationship between bond-breakage correlations and four-point correlations in heterogeneous glassy dynamics: Configuration changes and vibration modes

    Science.gov (United States)

    Shiba, Hayato; Kawasaki, Takeshi; Onuki, Akira

    2012-10-01

    We investigate the dynamic heterogeneities of glassy particle systems in the theoretical schemes of bond breakage and four-point correlation functions. In the bond-breakage scheme, we introduce the structure factor Sb(q,t) and the susceptibility χb(t) to detect the spatial correlations of configuration changes. Here χb(t) attains a maximum at t=tbmax as a function of time t, where the fraction of the particles with broken bonds φb(t) is about 1/2. In the four-point scheme, treating the structure factor S4(q,t) and the susceptibility χ4(t), we detect superpositions of the heterogeneity of bond breakage and that of thermal low-frequency vibration modes. While the former grows slowly, the latter emerges quickly to exhibit complex space-time behavior. In two dimensions, the vibration modes extending over the system yield significant contributions to the four-point correlations, which depend on the system size logarithmically. A maximum of χ4(t) is attained at t=t4max, where these two contributions become of the same order. As a result, t4max is considerably shorter than tbmax.

  20. Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

    Science.gov (United States)

    Morishita, Tetsuya

    2009-05-21

    We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

  1. Vibrational spectra of an RDX film over an aluminum substrate from molecular dynamics simulations and density functional theory.

    Science.gov (United States)

    Martínez de la Hoz, Julibeth M; Balbuena, Perla B

    2013-07-01

    We report calculated vibrational spectra in the range of 0-3,500 cm(-1) of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) molecules adsorbed on a model aluminum surface. A molecular film was modeled using two approaches: (1) density functional theory (DFT) was used to optimize a single RDX molecule interacting with its periodic images, and (2) a group of nine molecules extracted from the crystal structure was deposited on the surface and interacted with its periodic images via molecular dynamics (MD) simulations. In both cases, the molecule was initialized in the AAA conformer geometry having the three nitro groups in axial positions, and kept that conformation in the DFT examination, but some molecules were found to change to the AAE conformer (two nitro groups in axial and one in equatorial position) in the MD analysis. The vibrational spectra obtained from both methods are similar to each other, except in the regions where collective RDX intermolecular interactions (captured by MD simulations) are important, and compare fairly well with experimental findings.

  2. Evaluation of dynamic properties of soft ground using an S-wave vibrator and seismic cones. Part 2. Vs change during the vibration; S ha vibrator oyobi seismic cone wo mochiita gen`ichi jiban no doteki bussei hyoka. 2. Kashinchu no Vs no henka

    Energy Technology Data Exchange (ETDEWEB)

    Inazaki, T. [Public Works Research Institute, Tsukuba (Japan)

    1997-05-27

    With an objective to measure a behavior of the surface ground during a strong earthquake directly on the actual ground and make evaluation thereon, a proposal was made on an original location measuring and analyzing method using an S-wave vibrator and seismic cones. This system consists of an S-wave vibrator and a static cone penetrating machine, and different types of measuring cones. A large number of measuring cones are inserted initially in the object bed of the ground, and variation in the vibration generated by the vibrator is measured. This method can derive decrease in rigidity rate of the actual ground according to dynamic strain levels, or in other words, the dynamic nonlinearity. The strain levels can be controlled with a range from 10 {sup -5} to 10 {sup -3} by varying the distance from the S-wave vibrator. Furthermore, the decrease in the rigidity rate can be derived by measuring variations in the S-wave velocity by using the plank hammering method during the vibration. Field measurement is as easy as it can be completed in about half a day including preparatory works, and the data analysis is also simple. The method is superior in mobility and workability. 9 figs.

  3. Investigation of Dynamic Force/Vibration Transmission Characteristics of Four-Square Type Gear Durability Test Machines

    Science.gov (United States)

    Kahraman, Ahmet

    2002-01-01

    In this study, design requirements for a dynamically viable, four-square type gear test machine are investigated. Variations of four-square type gear test machines have been in use for durability and dynamics testing of both parallel- and cross-axis gear set. The basic layout of these machines is illustrated. The test rig is formed by two gear pairs, of the same reduction ratio, a test gear pair and a reaction gear pair, connected to each other through shafts of certain torsional flexibility to form an efficient, closed-loop system. A desired level of constant torque is input to the circuit through mechanical (a split coupling with a torque arm) or hydraulic (a hydraulic actuator) means. The system is then driven at any desired speed by a small DC motor. The main task in hand is the isolation of the test gear pair from the reaction gear pair under dynamic conditions. Any disturbances originated at the reaction gear mesh might potentially travel to the test gearbox, altering the dynamic loading conditions of the test gear mesh, and hence, influencing the outcome of the durability or dynamics test. Therefore, a proper design of connecting structures becomes a major priority. Also, equally important is the issue of how close the operating speed of the machine is to the resonant frequencies of the gear meshes. This study focuses on a detailed analysis of the current NASA Glenn Research Center gear pitting test machine for evaluation of its resonance and vibration isolation characteristics. A number of these machines as the one illustrated has been used over last 30 years to establish an extensive database regarding the influence of the gear materials, processes surface treatments and lubricants on gear durability. This study is intended to guide an optimum design of next generation test machines for the most desirable dynamic characteristics.

  4. Measurement of dynamic patterns of an elastic membrane at bi-modal vibration using high speed electronic speckle pattern interferometry

    Energy Technology Data Exchange (ETDEWEB)

    Preciado, Jorge Sanchez; Lopez, Carlos Perez; Santoyo, Fernando Mendoza [Grupo de Metrología Optica, Centro de Investigaciones en Óptica, A. C. Loma del Bosque 115, Col. Lomas del Campestre, León, Guanajuato, 37150 (Mexico)

    2014-05-27

    Implementing a hybrid arrangement of Laser Doppler Vibrometry (LDV) and high speed Electronic Speckle Pattern Interferometry (ESPI) we were able to measure the dynamic patterns of a flat rectangular elastic membrane clamped at its edges stimulated with the sum of two resonance frequencies. ESPI is a versatile technique to analyze in real-time the deformation of a membrane since its low computational cost and easy implementation of the optical setup. Elastic membranes present nonlinear behaviors when stimulated with low amplitude signals. The elastic membrane under test, with several non rational related vibrating modals below the 200 Hz, was stimulated with two consecutives resonant frequencies. The ESPI patterns, acquired at high speed rates, shown a similar behavior for the dual frequency stimulation as in the case of patterns formed with the entrainment frequency. We think this may be related to the effects observed in the application of dual frequency stimulation in ultrasound.

  5. Size-dependent dynamic pull-in instability of vibrating electrically actuated microbeams based on the strain gradient elasticity theory

    Science.gov (United States)

    Sedighi, Hamid M.

    2014-02-01

    This paper presents the impact of vibrational amplitude on the dynamic pull-in instability and fundamental frequency of actuated microbeams by introducing the second order frequency-amplitude relationship. The nonlinear governing equation of microbeam predeformed by an electric force including the fringing field effect, based on the strain gradient elasticity theory is considered. The predicted results of the strain gradient elasticity theory are compared with the outcomes that arise from the classical and modified couple stress theory. The influences of basic nondimensional parameters on the pull-in instability as well as the natural frequency are investigated by a powerful asymptotic approach namely the Parameter Expansion Method (PEM). It is demonstrated that two terms in series expansions are sufficient to produce an acceptable solution of the microstructure. The phase portrait of the microstructure shows that by increasing the actuation voltage parameter, the stable center point loses its stability and coalesces with unstable saddle node.

  6. Structure-Dependent Vibrational Dynamics of Mg(BH4)2 Polymorphs Probed with Neutron Vibrational Spectroscopy and First-Principles Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Dimitrievska, Mirjana; White, James L.; Zhou, Wei; Stavila, Vitalie; Klebanoff, Leonard E.; Udovic, Terrence J.

    2016-09-28

    The structure-dependent vibrational properties of different Mg(BH4)2 polymorphs (..alpha.., ..beta.., ..gamma.., and ..delta.. phases) were investigated with a combination of neutron vibrational spectroscopy (NVS) measurements and density functional theory (DFT) calculations, with emphasis placed on the effects of the local structure and orientation of the BH4- anions. DFT simulations closely match the neutron vibrational spectra. The main bands in the low-energy region (20-80 meV) are associated with the BH4- librational modes. The features in the intermediate energy region (80-120 meV) are attributed to overtones and combination bands arising from the lower-energy modes. The features in the high-energy region (120-200 meV) correspond to the BH4- symmetric and asymmetric bending vibrations, of which four peaks located at 140, 142, 160, and 172 meV are especially intense. There are noticeable intensity distribution variations in the vibrational bands for different polymorphs. This is explained by the differences in the spatial distribution of BH4- anions within various structures. An example of the possible identification of products after the hydrogenation of MgB2, using NVS measurements, is presented. These results provide fundamental insights of benefit to researchers currently studying these promising hydrogen-storage materials.

  7. Ultrafast Relaxation Dynamics of Photoexcited Heme Model Compounds: Observation of Multiple Electronic Spin States and Vibrational Cooling.

    Science.gov (United States)

    Govind, Chinju; Karunakaran, Venugopal

    2017-04-13

    Hemin is a unique model compound of heme proteins carrying out variable biological functions. Here, the excited state relaxation dynamics of heme model compounds in the ferric form are systematically investigated by changing the axial ligand (Cl/Br), the peripheral substituent (vinyl/ethyl-meso), and the solvent (methanol/DMSO) using femtosecond pump-probe spectroscopy upon excitation at 380 nm. The relaxation time constants of these model compounds are obtained by global analysis. Excited state deactivation pathway of the model compounds comprising the decay of the porphyrin excited state (S*) to ligand to metal charge transfer state (LMCT, τ1), back electron transfer from metal to ligand (MLCT, τ2), and relaxation to the ground state through different electronic spin states of iron (τ3 and τ4) are proposed along with the vibrational cooling processes. This is based on the excited state absorption spectral evolution, similarities between the transient absorption spectra of the ferric form and steady state absorption spectra of the low-spin ferrous form, and the data analysis. The observation of an increase of all the relaxation time constants in DMSO compared to the methanol reflects the stabilization of intermediate states involved in the electronic relaxation. The transient absorption spectra of met-myoglobin are also measured for comparison. Thus, the transient absorption spectra of these model compounds reveal the involvement of multiple iron spin states in the electronic relaxation dynamics, which could be an alternative pathway to the ground state beside the vibrational cooling processes and associated with the inherent features of the heme b type.

  8. Vibrational dynamics of the orgganometallic compound triarylorganoantimony (V) SbPh3 [O_{2}CC(OH)Ph_{2}]_{2}

    Indian Academy of Sciences (India)

    Tanveer Hasan; P K Singh; R Misra; P Raj; Neeraj Misra

    2007-05-01

    A complete normal coordinate analysis was performed for five-coordinate non-rigid triarylantimony diester SbPh3(O2CR2), known to be a bioactive molecule, using Wilson G-D matrix method and Urey Bradley force field. The study of vibrational dynamics was performed using the concept of group frequencies and band intensities.

  9. Detecting Molecular Rotational Dynamics Complementing the Low-Frequency Terahertz Vibrations in a Zirconium-Based Metal-Organic Framework

    Science.gov (United States)

    Ryder, Matthew R.; Van de Voorde, Ben; Civalleri, Bartolomeo; Bennett, Thomas D.; Mukhopadhyay, Sanghamitra; Cinque, Gianfelice; Fernandez-Alonso, Felix; De Vos, Dirk; Rudić, Svemir; Tan, Jin-Chong

    2017-06-01

    We show clear experimental evidence of cooperative terahertz (THz) dynamics observed below 3 THz (˜100 cm-1 ), for a low-symmetry Zr-based metal-organic framework structure, termed MIL-140A [ZrO (O2C-C 6H4-CO2) ]. Utilizing a combination of high-resolution inelastic neutron scattering and synchrotron radiation far-infrared spectroscopy, we measured low-energy vibrations originating from the hindered rotations of organic linkers, whose energy barriers and detailed dynamics have been elucidated via ab initio density functional theory calculations. The complex pore architecture caused by the THz rotations has been characterized. We discovered an array of soft modes with trampolinelike motions, which could potentially be the source of anomalous mechanical phenomena such as negative thermal expansion. Our results demonstrate coordinated shear dynamics (2.47 THz), a mechanism which we have shown to destabilize the framework structure, in the exact crystallographic direction of the minimum shear modulus (Gmin ).

  10. Ab initio molecular dynamics with noisy forces: Validating the quantum Monte Carlo approach with benchmark calculations of molecular vibrational properties

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Ye, E-mail: xw111luoye@gmail.com; Sorella, Sandro, E-mail: sorella@sissa.it [International School for Advanced Studies (SISSA), and CRS Democritos, CNR-INFM, Via Bonomea 265, I-34136 Trieste (Italy); Zen, Andrea, E-mail: zen.andrea.x@gmail.com [Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale Aldo Moro 2, I-00185 Rome (Italy)

    2014-11-21

    We present a systematic study of a recently developed ab initio simulation scheme based on molecular dynamics and quantum Monte Carlo. In this approach, a damped Langevin molecular dynamics is employed by using a statistical evaluation of the forces acting on each atom by means of quantum Monte Carlo. This allows the use of an highly correlated wave function parametrized by several variational parameters and describing quite accurately the Born-Oppenheimer energy surface, as long as these parameters are determined at the minimum energy condition. However, in a statistical method both the minimization method and the evaluation of the atomic forces are affected by the statistical noise. In this work, we study systematically the accuracy and reliability of this scheme by targeting the vibrational frequencies of simple molecules such as the water monomer, hydrogen sulfide, sulfur dioxide, ammonia, and phosphine. We show that all sources of systematic errors can be controlled and reliable frequencies can be obtained with a reasonable computational effort. This work provides convincing evidence that this molecular dynamics scheme can be safely applied also to realistic systems containing several atoms.

  11. Management of research reactor; dynamic characteristics analysis for reactor structures related with vibration of HANARO fuel assembly

    Energy Technology Data Exchange (ETDEWEB)

    Ahn, Chang Kee; Shim, Joo Sup [Shinwa Technology Information, Seoul (Korea)

    2001-04-01

    The objective of this study is to deduce the dynamic correlation between the fuel assembly and the reactor structure. Dynamic characteristics analyses for reactor structure related with vibration of HANARO fuel assembly have been performed For the dynamic characteristic analysis, the in-air models of the round and hexagonal flow tubes, 18-element and 36-element fuel assemblies, and reactor structure were developed. By calculating the hydrodynamic mass and distributing it on the in-air models, the in-water models of the flow tubes, the fuel assemblies, and the reactor structure were developed. Then, modal analyses for developed in-air and in-water models have been performed. Especially, two 18-element fuel assemblies and three 36-element fuel assemblies were included in the in-water reactor models. For the verification of the modal analysis results, the natural frequencies and the mode shapes of the fuel assembly were compared with those obtained from the experiment. Finally the analysis results of the reactor structure were compared with them performed by AECL Based on the reactor model without PCS piping, the in-water reactor model including the fuel assemblies was developed, and its modal analysis was performed. The analysis results demonstrate that there are no resonance between the fuel assembly and the reactor structures. 26 refs., 419 figs., 85 tabs. (Author)

  12. Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Changjian [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Zhu, Xiaolei; Yarkony, David R., E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Ma, Jianyi, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065 (China); Xie, Daiqian, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guo, Hua, E-mail: jianyi.m@gmail.com, E-mail: yarkony@jhu.edu, E-mail: dqxie@nju.edu.cn, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States)

    2015-03-07

    Non-adiabatic processes play an important role in photochemistry, but the mechanism for conversion of electronic energy to chemical energy is still poorly understood. To explore the possibility of vibrational control of non-adiabatic dynamics in a prototypical photoreaction, namely, the A-band photodissociation of NH{sub 3}(X{sup ~1}A{sub 1}), full-dimensional state-to-state quantum dynamics of symmetric or antisymmetric stretch excited NH{sub 3}(X{sup ~1}A{sub 1}) is investigated on recently developed coupled diabatic potential energy surfaces. The experimentally observed H atom kinetic energy distributions are reproduced. However, contrary to previous inferences, the NH{sub 2}(A{sup ~2}A{sub 1})/NH{sub 2}(X{sup ~2}B{sub 1}) branching ratio is found to be small regardless of the initial preparation of NH{sub 3}(X{sup ~1}A{sub 1}), while the internal state distribution of the preeminent fragment, NH{sub 2}(X{sup ~2}B{sub 1}), is found to depend strongly on the initial vibrational excitation of NH{sub 3}(X{sup ~1}A{sub 1}). The slow H atoms in photodissociation mediated by the antisymmetric stretch fundamental state are due to energy sequestered in the internally excited NH{sub 2}(X{sup ~2}B{sub 1}) fragment, rather than in NH{sub 2}(A{sup ~2}A{sub 1}) as previously proposed. The high internal excitation of the NH{sub 2}(X{sup ~2}B{sub 1}) fragment is attributed to the torques exerted on the molecule as it passes through the conical intersection seam to the ground electronic state of NH{sub 3}. Thus in this system, contrary to previous assertions, the control of electronic state branching by selective excitation of ground state vibrational modes is concluded to be ineffective. The juxtaposition of precise quantum mechanical results with complementary results based on quasi-classical surface hopping trajectories provides significant insights into the non-adiabatic process.

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

    DEFF Research Database (Denmark)

    Thomas, Esben Folger; Henriksen, Niels Engholm

    2016-01-01

    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...

  14. Ultrafast structural and vibrational dynamics of the hydration shell around DNA

    Directory of Open Access Journals (Sweden)

    Szyc Ł

    2013-03-01

    Full Text Available Two-dimensional infrared spectroscopy in the frequency range of OH- and NH stretch excitations serves for a direct mapping of hydration dynamics around DNA. A moderate slowing down of structural dynamics and resonant OH stretch energy transfer is observed in the DNA water shell compared to bulk water.

  15. Identification of dynamic characteristics by field vibration test in Tsurumi Tsubasa bridge; Tsurumi Tsubasakyo no shindo jikken ni yoru doteki tokusei no dotei

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, H. [Saitama University, Saitama (Japan). Faculty of Engineering; Takano, H.; Ogasawara, M.; Shimosato, T. [Metropolitan Expressway Public Corp., Tokyo (Japan); Kato, M.; Okada, J. [NKK Corp., Tokyo (Japan)

    1996-07-21

    Field vibration test of the Tsurumi Tsubasa Bridge, a long span cable stayed bridge, has been conducted. Focusing on its dynamic characteristics, an identification method from test results and its validity were investigated. The natural frequency identified using mode circle and resonance curve from steady vibration test agreed with that identified by the peak method from free damping test. Accordingly, there was no difference due to identification methods, and both methods provided appropriate accuracy. The natural vibration mode obtained from the steady vibration test agreed with that obtained by the eigenvalue analysis. The dispersion of experimental values, which indicates the adaptation to mode circle method, became a scale indicating reliability of identified values. When the damping obtained by the half power method for the microtremors test is compared with that identified from the steady vibration test and free damping test, it is required to compare them at lower amplitude level region, considering that the amplitude level of microtremors test is very low. For the dynamic characteristics of the Tsurumi Tsubasa Bridge, it was found that it has lower natural frequency and higher modal damping compared with other cable stayed bridges with similar scale of span. 18 refs., 13 figs., 4 tabs.

  16. Shape and strength of dynamical couplings between vibrational levels of the H2 +, HD+ and D2 + molecular ions in collision with He as a buffer gas

    Science.gov (United States)

    Iskandarov, Ibrokhim; Gianturco, Francesco Antonio; Vera, Mario Hernandez; Wester, Roland; da Silva, Humberto; Dulieu, Olivier

    2017-06-01

    We present a detailed computational analysis for the interaction between the vibrating/rotating molecular ions H2 +, HD+, D2 + colliding with He atoms employed as buffer gas within ion trap experiments. The production and preparation of these molecular ions from their neutrals usually generate rovibrationally excited species which will therefore require internal energy cooling down to their ground vibrational levels for further experimental handling. In this work we describe the calculation of the full 3D interaction potentials and of the ionic vibrational levels needed to obtain the vibrational coupling potential matrix elements which are needed in the multichannel treatment of the rovibrationally inelastic collision dynamics. The general features of such coupling potential terms are discussed for their employment within a quantum dynamical modeling of the relaxation processes, as well as in connection with their dependence on the initial and final vibrational levels which are directly coupled by the present potentials. As a preliminary test of the potential effects on scattering observables, we perform calculations between H2 + and He atoms at the energies of an ion-trap by using either the rigid rotor (RR) approximation or the more accurate vibrationally averaged (VA) description for the v = 0 state of the target. Both schemes are described in detail in the present paper and the differences found in the scattering results are also analysed and discussed. We further present and briefly discuss some examples of state-to-state rovibrationally inelastic cross sections, involving the two lowest vibrational levels of the H2 + molecular target ion, as obtained from our time-independent multichannel quantum scattering code.

  17. Dynamics of vibration isolation system with rubber-cord-pneumatic spring with damping throttle

    Science.gov (United States)

    Burian, Yu A.; Silkov, M. V.

    2017-06-01

    The study refers to the important area of applied mechanics; it is the theory of vibration isolation of vibroactive facilities. The design and the issues of mathematical modeling of pneumatic spring perspective design made on the basis of rubber-cord shell with additional volume connected with its primary volume by means of throttle passageway are considered in the text. Damping at the overflow of air through the hole limits the amplitude of oscillation at resonance. But in contrast to conventional systems with viscous damping it does not increase transmission ratio at high frequencies. The mathematical model of suspension allowing selecting options to reduce the power transmission ratio on the foundation, especially in the high frequency range is obtained

  18. Dynamic Error Analysis Method for Vibration Shape Reconstruction of Smart FBG Plate Structure

    Directory of Open Access Journals (Sweden)

    Hesheng Zhang

    2016-01-01

    Full Text Available Shape reconstruction of aerospace plate structure is an important issue for safe operation of aerospace vehicles. One way to achieve such reconstruction is by constructing smart fiber Bragg grating (FBG plate structure with discrete distributed FBG sensor arrays using reconstruction algorithms in which error analysis of reconstruction algorithm is a key link. Considering that traditional error analysis methods can only deal with static data, a new dynamic data error analysis method are proposed based on LMS algorithm for shape reconstruction of smart FBG plate structure. Firstly, smart FBG structure and orthogonal curved network based reconstruction method is introduced. Then, a dynamic error analysis model is proposed for dynamic reconstruction error analysis. Thirdly, the parameter identification is done for the proposed dynamic error analysis model based on least mean square (LMS algorithm. Finally, an experimental verification platform is constructed and experimental dynamic reconstruction analysis is done. Experimental results show that the dynamic characteristics of the reconstruction performance for plate structure can be obtained accurately based on the proposed dynamic error analysis method. The proposed method can also be used for other data acquisition systems and data processing systems as a general error analysis method.

  19. The Shock and Vibration Bulletin. Part 3: Structure Medium Interaction, Case Studies in Dynamics

    Science.gov (United States)

    1979-01-01

    Structure and medium interactions topics are addressed. Topics include: a failure analysis of underground concrete structures subjected to blast loadings, an optimization design procedure for concrete slabs, and a discussion of the transient response of a cylindrical shell submerged in a fluid. Case studies in dynamics are presented which include an examination of a shock isolation platform for a seasparrow launcher, a discussion of hydrofoil fatigue load environments, and an investigation of the dynamic characteristics of turbine generators and low tuned foundations.

  20. Path integral molecular dynamics combined with discrete-variable-representation approach: the effect of solvation structures on vibrational spectra of Cl 2 in helium clusters

    Science.gov (United States)

    Takayanagi, Toshiyuki; Shiga, Motoyuki

    2002-08-01

    The structures and vibrational frequencies of Cl 2-helium clusters have been studied using the path integral molecular dynamics method combined with the discrete-variable-representation approach. It is found that the Cl 2-helium clusters form clear shell structures comprised of rings around the Cl 2 bond. The vibrational frequencies calculated show a monotonically increasing red shift with an increase in cluster size. It can be concluded that the first solvation shell and its density around T-shaped configurations play the most important role in the observed frequency shifts.

  1. Communication: Ro-vibrational control of chemical reactivity in H+CH₄→ H₂+CH₃: full-dimensional quantum dynamics calculations and a sudden model.

    Science.gov (United States)

    Welsch, Ralph; Manthe, Uwe

    2014-08-07

    The mode-selective chemistry of the title reaction is studied by full-dimensional quantum dynamics simulation on an accurate ab initio potential energy surface for vanishing total angular momentum. Using a rigorous transition state based approach and multi-configurational time-dependent Hartree wave packet propagation, initial state-selected reaction probabilities for many ro-vibrational states of methane are calculated. The theoretical results are compared with experimental trends seen in reactions of methane. An intuitive interpretation of the ro-vibrational control of the chemical reactivity provided by a sudden model based on the quantum transition state concept is discussed.

  2. The dynamic response of prone-to-fall columns to ambient vibrations: comparison between measurements and numerical modelling

    Science.gov (United States)

    Valentin, J.; Capron, A.; Jongmans, D.; Baillet, L.; Bottelin, P.; Donze, F.; Larose, E.; Mangeney, A.

    2017-02-01

    Seismic noise measurements (ambient vibrations) have been increasingly used in rock slope stability assessment for both investigation and monitoring purposes. Recent studies made on gravitational hazard revealed significant spectral amplification at given frequencies and polarization of the wave-field in the direction of maximum rock slope displacement. Different properties (resonance frequencies, polarization and spectral ratio amplitudes) can be derived from the spectral analysis of the seismic noise to characterize unstable rock masses. The objective here is to identify the dynamic parameters that could be used to gain information on prone-to-fall rock columns' geometry. To do so, the dynamic response of prone-to-fall columns to seismic noise has been studied on two different sites exhibiting cliff-like geometry. Dynamic parameters (main resonance frequency and spectral ratio amplitudes) that could characterize the column decoupling were extracted from seismic noise and their variations were studied taking into account the external environmental parameter fluctuations. Based on this analysis, a two-dimensional numerical model has been set up to assess the influence of the rear vertical fractures identified on both sites on the rock column motion response. Although a simple relation was found between spectral ratio amplitudes and the rock column slenderness, it turned out that the resonance frequency is more stable than the spectral ratio amplitudes to characterize this column decoupling, provided that the elastic properties of the column can be estimated. The study also revealed the effect of additional remote fractures on the dynamic parameters, which in turn could be used for detecting the presence of such discontinuities.

  3. Dynamic Model and Vibration Power Flow of a Rigid-Flexible Coupling and Harmonic-Disturbance Exciting System for Flexible Robotic Manipulator with Elastic Joints

    Directory of Open Access Journals (Sweden)

    Yufei Liu

    2015-01-01

    Full Text Available This paper investigates the dynamic of a flexible robotic manipulator (FRM which consists of rigid driving base, flexible links, and flexible joints. With considering the motion fluctuations caused by the coupling effect, such as the motor parameters and mechanism inertias, as harmonic disturbances, the system investigated in this paper remains a parametrically excited system. An elastic restraint model of the FRM with elastic joints (FRMEJ is proposed, which considers the elastic properties of the connecting joints between the flexible arm and the driving base, as well as the harmonic disturbances aroused by the electromechanical coupling effect. As a consequence, the FRMEJ accordingly remains a flexible multibody system which conveys the effects of rigid-flexible couple and electromechanical couple. The Lagrangian function and Hamilton’s principle are used to establish the dynamic model of the FRMEJ. Based on the dynamic model proposed, the vibration power flow is introduced to show the vibration energy distribution. Numerical simulations are conducted to investigate the effect of the joint elasticities and the disturbance excitations, and the influences of the structure parameters and motion parameters on the vibration power flow are studied. The results obtained in this paper contribute to the structure design, motion optimization, and vibration control of FRMs.

  4. Design and Experimental Implementation of a Beam-Type Twin Dynamic Vibration Absorber for a Cantilevered Flexible Structure Carrying an Unbalanced Rotor: Numerical and Experimental Observations

    Directory of Open Access Journals (Sweden)

    Abdullah Özer

    2015-01-01

    Full Text Available This paper presents experimental and numerical results about the effectiveness of a beam-type twin dynamic vibration absorber for a cantilevered flexible structure carrying an unbalanced rotor. An experimental laboratory prototype setup has been built and implemented in our laboratory and numerical investigations have been performed through finite element analysis. The proposed system design consists of a primary cantilevered flexible structure with an attached dual-mass cantilevered secondary dynamic vibration absorber arrangement. In addition, an unbalanced rotor system is attached to the tip of the flexible cantilevered structure to inspect the system response under harmonic excitations. Numerical findings and experimental observations have revealed that significant vibration reductions are possible with the proposed dual-mass, cantilevered dynamic vibration absorber on a flexible cantilevered platform carrying an unbalanced rotor system at its tip. The proposed system is efficient and it can be practically tuned for variety of design and operating conditions. The designed setup and the results in this paper can serve for practicing engineers, researchers and can be used for educational purposes.

  5. Dynamic characterization of small fibers based on the flexural vibrations of a piezoelectric cantilever probe

    Science.gov (United States)

    Zhang, Xiaofei; Ye, Xuan; Li, Xide

    2016-08-01

    In this paper, we present a cantilever-probe system excited by a piezoelectric actuator, and use it to measure the dynamic mechanical properties of a micro- and nanoscale fiber. Coupling the fiber to the free end of the cantilever probe, we found the dynamic stiffness and damping coefficient of the fiber from the resonance frequency and the quality factor of the fiber-cantilever-probe system. The properties of Bacillus subtilis fibers measured using our proposed system agreed with tensile measurements, validating our method. Our measurements show that the piezoelectric actuator coupled to cantilever probe can be made equivalent to a clamped cantilever with an effective length, and calculated results show that the errors of measured natural frequency of the system can be ignored if the coupled fiber has an inclination angle of alignment of less than 10°. A sensitivity analysis indicates that the first or second resonant mode is the sensitive mode to test the sample’s dynamic stiffness, while the damping property has different sensitivities for the first four modes. Our theoretical analysis demonstrates that the double-cantilever probe is also an effective sensitive structure that can be used to perform dynamic loading and characterize dynamic response. Our method has the advantage of using amplitude-frequency curves to obtain the dynamic mechanical properties without directly measuring displacements and forces as in tensile tests, and it also avoids the effects of the complex surface structure and deformation presenting in contact resonance method. Our method is effective for measuring the dynamic mechanical properties of fiber-like one-dimensional (1D) materials.

  6. Vibrational circular dichroism from ab initio molecular dynamics and nuclear velocity perturbation theory in the liquid phase.

    Science.gov (United States)

    Scherrer, Arne; Vuilleumier, Rodolphe; Sebastiani, Daniel

    2016-08-28

    We report the first fully ab initio calculation of dynamical vibrational circular dichroism spectra in the liquid phase using nuclear velocity perturbation theory (NVPT) derived electronic currents. Our approach is rigorous and general and thus capable of treating weak interactions of chiral molecules as, e.g., chirality transfer from a chiral molecule to an achiral solvent. We use an implementation of the NVPT that is projected along the dynamics to obtain the current and magnetic dipole moments required for accurate intensities. The gauge problem in the liquid phase is resolved in a twofold approach. The electronic expectation values are evaluated in a distributed origin gauge, employing maximally localized Wannier orbitals. In a second step, the gauge invariant spectrum is obtained in terms of a scaled molecular moments, which allows to systematically include solvent effects while keeping a significant signal-to-noise ratio. We give a thorough analysis and discussion of this choice of gauge for the liquid phase. At low temperatures, we recover the established double harmonic approximation. The methodology is applied to chiral molecules ((S)-d2-oxirane and (R)-propylene-oxide) in the gas phase and in solution. We find an excellent agreement with the theoretical and experimental references, including the emergence of signals due to chirality transfer from the solute to the (achiral) solvent.

  7. Vibrational circular dichroism from ab initio molecular dynamics and nuclear velocity perturbation theory in the liquid phase

    Science.gov (United States)

    Scherrer, Arne; Vuilleumier, Rodolphe; Sebastiani, Daniel

    2016-08-01

    We report the first fully ab initio calculation of dynamical vibrational circular dichroism spectra in the liquid phase using nuclear velocity perturbation theory (NVPT) derived electronic currents. Our approach is rigorous and general and thus capable of treating weak interactions of chiral molecules as, e.g., chirality transfer from a chiral molecule to an achiral solvent. We use an implementation of the NVPT that is projected along the dynamics to obtain the current and magnetic dipole moments required for accurate intensities. The gauge problem in the liquid phase is resolved in a twofold approach. The electronic expectation values are evaluated in a distributed origin gauge, employing maximally localized Wannier orbitals. In a second step, the gauge invariant spectrum is obtained in terms of a scaled molecular moments, which allows to systematically include solvent effects while keeping a significant signal-to-noise ratio. We give a thorough analysis and discussion of this choice of gauge for the liquid phase. At low temperatures, we recover the established double harmonic approximation. The methodology is applied to chiral molecules ((S)-d2-oxirane and (R)-propylene-oxide) in the gas phase and in solution. We find an excellent agreement with the theoretical and experimental references, including the emergence of signals due to chirality transfer from the solute to the (achiral) solvent.

  8. Femtosecond dynamics of fundamental reaction processes in liquids: Proton transfer, geminate recombination, isomerization and vibrational relaxation. [Spiropyrans

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, B.J.

    1992-11-01

    The fast excited state intramolecular proton transfer of 3-hydroxyflavone is measured and effects of external hydrogen-bonding interactions on the proton transfer are studied. The proton transfer takes place in [approximately]240 fsec in nonpolar environments, but becomes faster than instrumental resolution of 110 fsec in methanol solution. The dynamics following photodissociation of CH[sub 2]I[sub 2] and other small molecules provide the first direct observations of geminate recombination. The recombination of many different photodissociating species occurs on a [approximately]350 fsec time scale. Results show that recombination yields but not rates depend on the solvent environment and suggest that recombination kinetics are dominated by a single collision with surrounding solvent cage. Studies of sterically locked phenyl-substituted butadienes offer new insights into the electronic structure and isomerization behavior of conjugated polyenes. Data show no simple correlation between hinderance of specific large amplitude motions and signatures of isomerizative behavior such as viscosity dependent excited state lifetimes, implying that the isomerization does not provide a suitable for simple condensed phase reaction rate theories. The spectral dynamics of a photochromic spiropyran indicate that recombination, isomerization and vibrational relaxation all play important roles in photoreactivity of complex molecules. The interplay of these microscopic phenomena and their effect on macroscopic properties such as photochromism are discussed. All the results indicate that the initial steps of the photochromic reaction process occur extremely rapidly. Laser system and computer codes for data analysis are discussed.

  9. Nonlinear Dynamics of a Spring-Supported Piston in a Vibrated Liquid-Filled Housing: I. Analysis

    Science.gov (United States)

    Torczynski, J. R.; O'Hern, T. J.; Clausen, J. R.

    2016-11-01

    The nonlinear dynamics of a piston supported by a spring in a vibrated liquid-filled housing is analyzed. The liquid is viscous, and the flow passages are narrow and depend on piston position. Ordinarily, the piston motion is highly damped. However, if bellows are added to both ends of the housing, then the piston, liquid, and bellows can execute a collective motion that forces relatively little liquid through the flow passages and thus has low damping and a strong resonance. At this frequency, the motion is large, and the nonlinearity from the flow passages produces a net force on the piston that can cause it to compress its spring. This nonlinear dynamical system is analyzed using a perturbation expansion of the Navier-Stokes equations, and the perturbation results are compared to corresponding ALE Navier-Stokes simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  10. Vibrational properties of silica species in MgO-SiO2 glasses from ab initio molecular dynamics

    Science.gov (United States)

    Spiekermann, G.; Steele-MacInnis, M.; Kowalski, P. M.; Schmidt, C.; Jahn, S.

    2012-04-01

    Glasses and melts in the system MgO-SiO2 are analogs for magmas of the Earth's mantle. Therefore knowledge of the structure of these glasses and melts is important for understanding numerous geological processes. Raman spectroscopy is useful for probing the atomic-scale structure of glasses and melts. However, correct assignment of observed vibrational bands to specific structural and modal origins is challenging. We present the mode-projection technique to calculate vibrational subspectra for specific modal vibrations of several fundamental silica structures in silicate glasses. Structural subunits that we have studied include Q0 to Q4 tetrahedra, Si-O-Si bridging oxygen atoms for any degree of polymerization of the adjacent tetrahedra, the ethane-like symmetry of the dimer, and three- and four-fold rings. We apply this technique to ab initio molecular dynamics (MD) trajectories of MgO-SiO2 glasses at 1000 K. We found the tetrahedral symmetric stretch at 863 cm-1 for Q0, 885 cm-1 for Q1, a double peak of 960 cm-1 and 1037 cm-1 for Q2, 1032 cm-1 for Q3 and 1080 cm-1 for Q4. The bridging oxygen asymmetric stretch is at about 980 cm-1 for Q1-Q1, and it shifts to about 1100 cm-1 with increasing polymerization. This analysis has applications especially for understanding the structure of silica-poor glasses. For instance, two contradicting Raman spectroscopy studies of Mg2SiO4 glasses reported the most polymerized SiO4 tetrahedra in the glass structure to be either Q0 [1] or Q3 [2]. Our results indicate that the degree of polymerization is overestimated, if the Si-O-Si stretching modes are not considered in the interpretation of the measured Raman spectra. [1] Nasikas, N. K. and Chrissanthopoulos, A. and Bouropoulos, N. and Sen, S. and Papatheodorou, G. N., 2011, Chemistry of Materials 23, 3692-3697. [2] Kalampounias, A. G. and Nasikas, N. K. and Papatheodorou, G. N., 2009, Journal of Chemical Physics 131, 114513.

  11. Molecular and Vibrational Dynamics in the Cholesterol-Lowering Agent Lovastatin: Solid-State NMR, Inelastic Neutron Scattering, and Periodic DFT Study.

    Science.gov (United States)

    Bilski, Paweł; Drużbicki, Kacper; Jenczyk, Jacek; Mielcarek, Jadwiga; Wąsicki, Jan

    2017-03-23

    Molecular and vibrational dynamics of a widely used cholesterol-lowering agent, lovastatin, have been studied by combining nuclear magnetic resonance relaxation experiments ((1)H NMR) with inelastic neutron scattering (INS) and periodic density functional theory modeling (plane-wave DFT). According to a complementary experimental study, lovastatin shows no phase transitions down to cryogenic conditions, while a progressive, stepwise activation of several molecular motions is observed below room temperature. The molecular packing and intermolecular forces were analyzed theoretically, supported by a (13)C NMR study and further correlated with observed molecular dynamics. The NMR relaxation experiments combined with theoretical calculations disclose that molecular dynamics in solid lovastatin is related to methyl group motions and conformational disorder in the methylbutanoate fragment. This is precisely assigned and analyzed quantitatively from both experimental and theoretical perspectives. The neutron vibrational spectroscopy further corroborates that the methyl rotors have a classical nature. In addition to the intramolecular reorientations, the vibrational dynamics was analyzed with an emphasis on the low-wavenumber range. For the first time, the terahertz response of lovastatin was studied by confronting neutron and optical techniques and clearly illustrating their complementarity. The consistent picture of the molecular dynamics is provided, which may support further considerations on alternative drug formulations and the amorphization tendency in this important lipid-lowering drug.

  12. Dynamic behavior of time-delayed acceleration feedback controller for active vibration control of flexible structures

    Science.gov (United States)

    An, Fang; Chen, Wei-dong; Shao, Min-qiang

    2014-09-01

    This paper addresses the design problem of the controller with time-delayed acceleration feedback. On the basis of the reduction method and output state-derivative feedback, a time-delayed acceleration feedback controller is proposed. Stability boundaries of the closed-loop system are determined by using Hurwitz stability criteria. Due to the introduction of time delay into the controller with acceleration feedback, the proposed controller has the feature of not only changing the mass property but also altering the damping property of the controlled system in the sense of equivalent structural modification. With this feature, the closed-loop system has a greater logarithmic decrement than the uncontrolled one, and in turn, the control behavior can be improved. In this connection, the time delay in the acceleration feedback control is a positive factor when satisfying some given conditions and it could be actively utilized. On the ground of the analysis, the developed controller is implemented on a cantilever beam for different controller gain-delay combinations, and the control performance is evaluated with the comparison to that of pure acceleration feedback controller. Simulation and experimental results verify the ability of the controller to attenuate the vibration resulting from the dominant mode.

  13. The Shock and Vibration Bulletin. Part 2. Dynamic Testing, Flight Vehicle Dynamics, Seismic Loads and Fluid-Structure Interaction

    Science.gov (United States)

    1985-06-01

    HYDRAULIC TECHNOLOGY CAPABILITIES % SYSTEMS INSTRON 0 TO 600 Hz s COMERCIALLY * EXPENSIVE (M0121) AVAILABLE SYSTEM 0 CARE NEEDED TO *[31 AVOID POOR DYNAMIC...The induced ground motions were modeled after the El Centro (1941) earthquake. Results include absolute horizontal and vertical displacement-time

  14. Applications of the Local Mode Model to CH Bond Length Changes, Molecular Conformations and Vibrational Dynamics

    OpenAIRE

    Henry, Bryan R.; Gough, Kathleen M.

    1983-01-01

    The theoretical basis for the local mode model is reviewed. The model is applied to gas phase overtone spectra of aromatic molecules to investigate both substituent induced CH bond length changes and conformationally inequivalent hydrogens. The dynamic implications of the local mode model are discussed.

  15. Dynamic modelling of a one-stage spur gear system and vibration-based tooth crack detection analysis

    Science.gov (United States)

    Mohammed, Omar D.; Rantatalo, Matti; Aidanpää, Jan-Olov

    2015-03-01

    For the purpose of simulation and vibration-based condition monitoring of a geared system, it is important to model the system with an appropriate number of degrees of freedom (DOF). In earlier papers several models were suggested and it is therefore of interest to evaluate their limitations. In the present study a 12 DOF gear dynamic model including a gyroscopic effect was developed and the equations of motions were derived. A one-stage reduction gear was modelled using three different dynamic models (with 6, 8 and 8 reduced to 6 DOF), as well as the developed model (with 12 DOF), which is referred as the fourth model in this paper. The time-varying mesh stiffness was calculated, and dynamic simulation was then performed for different crack sizes. Time domain scalar indicators (the RMS, kurtosis and the crest factor) were applied for fault detection analysis. The results of the first model show a clearly visible difference from those of the other studied models, which were made more realistic by including two more DOF to describe the motor and load. Both the symmetric and the asymmetric disc cases were studied using the fourth model. In the case of disc symmetry, the results of the obtained response are close to those obtained from both the second and third models. Furthermore, the second model showed a slight influence from inter-tooth friction, and therefore the third model is adequate for simulating the pinion's y-displacement in the case of the symmetric disc. In the case of the asymmetric disc, the results deviate from those obtained in the symmetric case. Therefore, for simulating the pinion's y-displacement, the fourth model can be considered for more accurate modelling in the case of the asymmetric disc.

  16. Application of dynamic absorber in vibration controlling of Stirling cryocooler%动力吸振器在斯特林制冷机振动控制中的应用

    Institute of Scientific and Technical Information of China (English)

    孙述泽; 闫春杰

    2011-01-01

    Vibration characteristics were analyzed based on the theoretical model of Stirling cryocooler. Dynamic absorber met the requirements of vibration controlling of Stirling cryocooler, application of dynamic absorber in vibration controlling of Stirling cryocooler was shown. Designing method of dynamic absorber was present in theory in paper.%针对斯特林制冷机的振动模型分析了振动特点,分析了动力吸振器在斯特林制冷机振动控制中的应用,给出了动力吸振器的设计方法.

  17. Water dynamics in small reverse micelles in two solvents: Two-dimensional infrared vibrational echoes with two-dimensional background subtraction

    Science.gov (United States)

    Fenn, Emily E.; Wong, Daryl B.; Fayer, M. D.

    2011-02-01

    Water dynamics as reflected by the spectral diffusion of the water hydroxyl stretch were measured in w0 = 2 (1.7 nm diameter) Aerosol-OT (AOT)/water reverse micelles in carbon tetrachloride and in isooctane solvents using ultrafast 2D IR vibrational echo spectroscopy. Orientational relaxation and population relaxation are observed for w0 = 2, 4, and 7.5 in both solvents using IR pump-probe measurements. It is found that the pump-probe observables are sensitive to w0, but not to the solvent. However, initial analysis of the vibrational echo data from the water nanopool in the reverse micelles in the isooctane solvent seems to yield different dynamics than the CCl4 system in spite of the fact that the spectra, vibrational lifetimes, and orientational relaxation are the same in the two systems. It is found that there are beat patterns in the interferograms with isooctane as the solvent. The beats are observed from a signal generated by the AOT/isooctane system even when there is no water in the system. A beat subtraction data processing procedure does a reasonable job of removing the distortions in the isooctane data, showing that the reverse micelle dynamics are the same within experimental error regardless of whether isooctane or carbon tetrachloride is used as the organic phase. Two time scales are observed in the vibrational echo data, ~1 and ~10 ps. The slower component contains a significant amount of the total inhomogeneous broadening. Physical arguments indicate that there is a much slower component of spectral diffusion that is too slow to observe within the experimental window, which is limited by the OD stretch vibrational lifetime.

  18. Measurement of 3-D Vibrational Motion by Dynamic Photogrammetry Using Least-Square Image Matching for Sub-Pixel Targeting to Improve Accuracy.

    Science.gov (United States)

    Lee, Hyoseong; Rhee, Huinam; Oh, Jae Hong; Park, Jin Ho

    2016-03-11

    This paper deals with an improved methodology to measure three-dimensional dynamic displacements of a structure by digital close-range photogrammetry. A series of stereo images of a vibrating structure installed with targets are taken at specified intervals by using two daily-use cameras. A new methodology is proposed to accurately trace the spatial displacement of each target in three-dimensional space. This method combines the correlation and the least-square image matching so that the sub-pixel targeting can be obtained to increase the measurement accuracy. Collinearity and space resection theory are used to determine the interior and exterior orientation parameters. To verify the proposed method, experiments have been performed to measure displacements of a cantilevered beam excited by an electrodynamic shaker, which is vibrating in a complex configuration with mixed bending and torsional motions simultaneously with multiple frequencies. The results by the present method showed good agreement with the measurement by two laser displacement sensors. The proposed methodology only requires inexpensive daily-use cameras, and can remotely detect the dynamic displacement of a structure vibrating in a complex three-dimensional defection shape up to sub-pixel accuracy. It has abundant potential applications to various fields, e.g., remote vibration monitoring of an inaccessible or dangerous facility.

  19. Ion-orbital coupling in Car-Parrinello calculations of hydrogen-bond vibrational dynamics: case study with the NH3-HCl dimer.

    Science.gov (United States)

    Ong, S W; Lee, B X B; Kang, H C

    2011-09-14

    We have performed Car-Parrinello molecular dynamics (CPMD) calculations of the hydrogen-bonded NH(3)-HCl dimer. Our main aim is to establish how ionic-orbital coupling in CPMD affects the vibrational dynamics in hydrogen-bonded systems by characterizing the dependence of the calculated vibrational frequencies upon the orbital mass in the adiabatic limit of Car-Parrinello calculations. We use the example of the NH(3)-HCl dimer because of interest in its vibrational spectrum, in particular the magnitude of the frequency shift of the H-Cl stretch due to the anharmonic interactions when the hydrogen bond is formed. We find that an orbital mass of about 100 a.u. or smaller is required in order for the ion-orbital coupling to be linear in orbital mass, and the results for which can be accurately extrapolated to the adiabatic limit of zero orbital mass. We argue that this is general for hydrogen-bonded systems, suggesting that typical orbital mass values used in CPMD are too high to accurately describe vibrational dynamics in hydrogen-bonded systems. Our results also show that the usual application of a scaling factor to the CPMD frequencies to correct for the effects of orbital mass is not valid. For the dynamics of the dimer, we find that the H-Cl stretch and the N-H-Cl bend are significantly coupled, suggesting that it is important to include the latter degree of freedom in quantum dynamical calculations. Results from our calculations with deuterium-substitution show that both these degrees of freedom have significant anharmonic interactions. Our calculated frequency for the H-Cl stretch using the Becke-exchange Lee-Yang-Parr correlation functional compares reasonably well with a previous second-order Møller-Plesset calculation with anharmonic corrections, although it is low compared to the experimental value for the dimer trapped in a neon-matrix. © 2011 American Institute of Physics

  20. Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule

    Science.gov (United States)

    Takayanagi, Toshiyuki; Suzuki, Kento; Yoshida, Takahiko; Kita, Yukiumi; Tachikawa, Masanori

    2017-05-01

    We present computational results of vibrationally enhanced positron annihilation in the e+ + HCN/DCN collisions within a local complex potential model. Vibrationally elastic and inelastic cross sections and effective annihilation rates were calculated by solving a time-dependent complex-potential Schrödinger equation under the ab initio potential energy surface for the positron attached HCN molecule, [HCN; e+], with multi-component configuration interaction level (Kita and Tachikawa, 2014). We discuss the effect of vibrational excitation on the positron affinities from the obtained vibrational resonance features.

  1. Coupled dynamics of vortex-induced vibration and stationary wall at low Reynolds number

    Science.gov (United States)

    Li, Zhong; Jaiman, Rajeev K.; Khoo, Boo Cheong

    2017-09-01

    The flow past an elastically mounted circular cylinder placed in proximity to a plane wall is numerically studied in both two dimensions (2D) and three dimensions (3D). This paper aims to explain the mechanism of the cylinder bottom shear layer roll-up suppression in the context of laminar vortex-induced vibration (VIV) of a cylinder placed in the vicinity of a plane stationary wall. In 2D simulations, VIV of a near-wall cylinder with structure-to-displaced fluid mass ratios of m* = 2 and 10 is investigated at the Reynolds number of Re = 100 at a representative gap ratio of e/D = 0.90, where e denotes the gap distance between the cylinder surface and the plane wall. First, the cylinder is placed at five different upstream distances, LU, to study the effects of the normalized wall boundary layer thickness, δ /D , on the hydrodynamic quantities involved in the VIV of a near-wall cylinder. It is found that the lock-in range shifts towards the direction of the higher reduced velocity Ur as δ /D increases and that the lock-in range widens as m* reduces. Second, via visualization of the vortex shedding patterns, four different modes are classified and the regime maps are provided for both m* = 2 and 10. Third, the proper orthogonal decomposition analysis is employed to assess the cylinder bottom shear layer roll-up suppression mechanism. For 3D simulations at Re = 200, the circular cylinder of a mass ratio of m* = 10 with a spanwise length of 4D is placed at a gap ratio of e/D = 0.90 and an upstream distance of LU = 10D. The 3D vortex patterns are investigated to re-affirm the vortex shedding suppression mechanism. The pressure distributions around the cylinder are identified within one oscillation cycle of VIV. The pressure and the shear stress distributions on the bottom wall are examined to demonstrate the effects of near-wall VIV on the force distributions along the plane wall. It is found that both the suction pressure and the shear stress right below the cylinder

  2. Vibrational dynamics of zero-field-splitting hamiltonian in gadolinium-based MRI contrast agents from ab initio molecular dynamics.

    Science.gov (United States)

    Lasoroski, Aurélie; Vuilleumier, Rodolphe; Pollet, Rodolphe

    2014-07-07

    The electronic relaxation of gadolinium complexes used as MRI contrast agents was studied theoretically by following the short time evolution of zero-field-splitting parameters. The statistical analysis of ab initio molecular dynamics trajectories provided a clear separation between static and transient contributions to the zero-field-splitting. For the latter, the correlation time was estimated at approximately 0.1 ps. The influence of the ligand was also probed by replacing one pendant arm of our reference macrocyclic complex by a bulkier phosphonate arm. In contrast to the transient contribution, the static zero-field-splitting was significantly influenced by this substitution.

  3. Dynamics of a Bose-Einstein condensate in a horizontally vibrating shallow optical lattice

    Science.gov (United States)

    Valizadeh, A.; Jahanbani, Kh.; Kolahchi, M. R.

    2010-02-01

    We consider a solitonic solution of the self-attractive Bose-Einstein condensate in a one-dimensional external potential of a shallow optical lattice with large periodicity when the lattice is horizontally shaken. We investigate the dynamics of the bright soliton through the properties of the fixed points. The special type of bifurcation results in a simple criterion for the stability of the fixed points depending only on the amplitude of the shaking lattice. Because of the similarity of the equations with those of an ac-driven Josephson junction, some results may find applications in other branches of physics.

  4. The Generalized Coherent State ansatz: Application to quantum electron-vibrational dynamics

    Science.gov (United States)

    Borrelli, Raffaele; Gelin, Maxim F.

    2016-12-01

    A new ansatz for molecular vibronic wave functions based on a superposition of time-dependent Generalized Coherent States is developed and analysed. The methodology is specifically tailored to describe the time evolution of the wave function of a system in which several interacting electronic states are coupled to a bath of harmonic oscillators. The equations of motion for the wave packet parameters are obtained by using the Dirac-Frenkel time-dependent variational principle. The methodology is used to describe the quantum dynamical behavior of a model polaron system and its scaling and convergence properties are discussed and compared with numerically exact results.

  5. 2D IR spectroscopy of histidine: probing side-chain structure and dynamics via backbone amide vibrations.

    Science.gov (United States)

    Ghosh, Ayanjeet; Tucker, Matthew J; Gai, Feng

    2014-07-17

    It is well known that histidine is involved in many biological functions due to the structural versatility of its side chain. However, probing the conformational transitions of histidine in proteins, especially those occurring on an ultrafast time scale, is difficult. Herein we show, using a histidine dipeptide as a model, that it is possible to probe the tautomer and protonation status of a histidine residue by measuring the two-dimensional infrared (2D IR) spectrum of its amide I vibrational transition. Specifically, for the histidine dipeptide studied, the amide unit of the histidine gives rise to three spectrally resolvable amide I features at approximately 1630, 1644, and 1656 cm(-1), respectively, which, based on measurements at different pH values and frequency calculations, are assigned to a τ tautomer (1630 cm(-1) component) and a π tautomer with a hydrated (1644 cm(-1) component) or dehydrated (1656 cm(-1) component) amide. Because of the intrinsic ultrafast time resolution of 2D IR spectroscopy, we believe that the current approach, when combined with the isotope editing techniques, will be useful in revealing the structural dynamics of key histidine residues in proteins that are important for function.

  6. A full-dimensional quantum dynamical study of the vibrational ground state of $H_3O_2^-$ and its isotopomers

    CERN Document Server

    Yang, Yonggang

    2008-01-01

    We investigated the effect of deuteration on the vibrational ground state of the hydrated hydroxide anion using a nine-dimensional quantum dynamical model for the case of J=0. The propagation of the nuclear wave function has been performed with the multi-configuration time-dependent Hartree method which yielded zero-point energies for the normal and fully deuterated species in quantitative agreement with previous diffusion Monte Carlo calculations. According to the zero-point energy the isotopomers having the hydrogen atom in the bridging position are more stable by about 1 kJ/mol as compared to the deuterium case. This holds irrespective of the deuteration state of the two OH groups. We also report the secondary geometric H/D isotope effect on the O--O distance which amounts to an elongation of about 0.005 A for the symmetric isotopomers and 0.009 A in the asymmetric case. Finally, we explore the isotopomer sensitivity of the ground state tunneling splitting due to the torsional motion of the two OH groups.

  7. Interaction of acetonitrile with Na-zeolites: adsorption modes and vibrational dynamics in the zeolite channels and cavities.

    Science.gov (United States)

    Nachtigallová, Dana; Vrbka, L; Bludský, O; Nachtigall, P

    2008-07-28

    The interaction of acetonitrile with the extra-framework Na(+) cations in zeolites, namely Na-LTA and Na-FER, was investigated. The relative stabilities of possible types of adsorption complexes were calculated at the periodic DFT level. Individual effects on the complex stability and on the vibrational dynamics of adsorbed acetonitrile were qualitatively analysed on various cluster models. The acetonitrile primarily interacts with the Na(+) cation (via the N end), and the complex stability is modulated by the interaction of the methyl group with the framework oxygen atoms, which has a partial hydrogen-bond character. In line with the results of recent analyses of CO interactions with metal-exchanged zeolites [D. Nachtigallová, O. Bludský, C. O. Areán, R. Bulanek and P. Nachtigall, Phys. Chem. Chem. Phys., 2006, 8, 4849], two types of effects should be taken into consideration for acetonitrile complexes in Na-zeolites: (i) the effects from the bottom, reflecting the accessibility and coordination of the primary metal cation, to which the acetonitrile molecule is bonded via the N atom; and (ii) the effects from the top, including H-bond formation (stabilising effect) or repulsion due to the secondary metal cation. The effect from the bottom results in a blue shift of nu(CN) while the effect from the top (H-bond formation) results in a red shift in both nu(CN) and nu(CH).

  8. Potential of hydrogen bond in water. Comparison of the theory with vibrational spectra and results of molecular dynamics simulations.

    Science.gov (United States)

    Efimov, Yuri Ya; Naberukhin, Yuri I

    2011-02-01

    Potential of hydrogen bond is the function which relates its energy to geometrical parameters of hydrogen bridge: its length R(O…O) and angles between direction O…O and OH group [φ (H-O…O)] and/or lone pair of proton accepting oxygen atom [χ(-O…O)]. Previously we have suggested an approach to design such potentials based on the approximate numerical solution of a reverse problem of the spectrum band shape in the frames of the fluctuation theory of hydrogen bonding. In the given work this method is applied to construction of the two-parameter potentials that depend on parameters {R(O…O), φ (H-O…O} or {φ (H-O…O), χ (-O…O)}. Using them, the spectra of OH vibrations of HOD molecules in a liquid phase are calculated theoretically in good agreement with experiment in the temperature range up to 200 °C. Distributions of angles P(φ, T), P(χ, T), and energies P(E) are calculated also. The same distributions and spectra are independently calculated on the basis of the geometrical parameters of the hydrogen bridges obtained from molecular dynamics models of water. The shapes of the spectral contours and their temperature evolution calculated for computer models turned out to be similar to experimental ones only for the potential that includes the length of H-bond R(O…O).

  9. Molecular dynamics simulation and vibrational spectroscopy of molecules (Ⅰ)——A method of internal coordinate correlation for band assignment

    Institute of Scientific and Technical Information of China (English)

    杨小震

    1995-01-01

    A method of simulation of vibrational spectra by using the "internal coordinatecorrelation" based on molecular dynamics algorithms and auto-correlation function has been developed.The in-ternal coordinates,such as bond stretching,bond angle bending,out-of-plane bending and torsion,are treatedas the dynamic variables to obtain a density spectrum or the "internal coordinate correlation" spectrum Theadvantages of this method are as follows:i)it is easier to assign vibration modes for the density spectra;ii)itsimply connects the Fourier transformed "internal coordinate correlation" function to the eigenvectors innormal coordinate analysis;iii)it is a basis for simulating IR and Raman active spectra of a large molecularsystem.

  10. Free vibration analysis of straight-line beam regarded as distributed system by combining Wittrick-Williams algorithm and transfer dynamic stiffness coefficient method

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Myung Soo; Yang, Kyong Uk [Chonnam National University, Yeosu (Korea, Republic of); Kondou, Takahiro [Kyushu University, Fukuoka (Japan); Bonkobara, Yasuhiro [University of Miyazaki, Miyazaki (Japan)

    2016-03-15

    We developed a method for analyzing the free vibration of a structure regarded as a distributed system, by combining the Wittrick-Williams algorithm and the transfer dynamic stiffness coefficient method. A computational algorithm was formulated for analyzing the free vibration of a straight-line beam regarded as a distributed system, to explain the concept of the developed method. To verify the effectiveness of the developed method, the natural frequencies of straight-line beams were computed using the finite element method, transfer matrix method, transfer dynamic stiffness coefficient method, the exact solution, and the developed method. By comparing the computational results of the developed method with those of the other methods, we confirmed that the developed method exhibited superior performance over the other methods in terms of computational accuracy, cost and user convenience.

  11. Translational, rotational and vibrational relaxation dynamics of a solute molecule in a non-interacting solvent

    Science.gov (United States)

    Grubb, Michael P.; Coulter, Philip M.; Marroux, Hugo J. B.; Hornung, Balazs; McMullen, Ryan S.; Orr-Ewing, Andrew J.; Ashfold, Michael N. R.

    2016-11-01

    Spectroscopically observing the translational and rotational motion of solute molecules in liquid solutions is typically impeded by their interactions with the solvent, which conceal spectral detail through linewidth broadening. Here we show that unique insights into solute dynamics can be made with perfluorinated solvents, which interact weakly with solutes and provide a simplified liquid environment that helps to bridge the gap in our understanding of gas- and liquid-phase dynamics. Specifically, we show that in such solvents, the translational and rotational cooling of an energetic CN radical can be observed directly using ultrafast transient absorption spectroscopy. We observe that translational-energy dissipation within these liquids can be modelled through a series of classic collisions, whereas classically simulated rotational-energy dissipation is shown to be distinctly faster than experimentally measured. We also observe the onset of rotational hindering from nearby solvent molecules, which arises as the average rotational energy of the solute falls below the effective barrier to rotation induced by the solvent.

  12. Resonance effects on the dynamics of dense granular beds: achieving optimal energy transfer in vibrated granular systems

    NARCIS (Netherlands)

    Windows-Yule, C.R.K.; Rosato, A.D.; Thornton, A.R.; Parker, D.J.

    2015-01-01

    Using a combination of experimental techniques and discrete particle method simulations, we investigate the resonant behaviour of a dense, vibrated granular system. We demonstrate that a bed of particles driven by a vibrating plate may exhibit marked differences in its internal energy dependent on t

  13. An alternative use of Kieffer's lattice dynamics model using vibrational density of states for constructing thermodynamic databases

    NARCIS (Netherlands)

    Jacobs, M.H.G.; van den Berg, A.P.; Schmid-Fetzer, R.

    2013-01-01

    We use Kieffer's model to represent the vibrational density of states (VDoS) and thermodynamic properties of pure substances in pressure-temperature space. We show that this model can be simplified to a vibrational model in which the VDoS is represented by multiple Einstein frequencies without

  14. Exact dynamic stiffness matrix for flexural vibration of three-layered sandwich beams

    Science.gov (United States)

    Howson, W. P.; Zare, A.

    2005-04-01

    An exact dynamic member stiffness matrix (exact finite element), which defines the flexural motion of a three-layered sandwich beam with unequal faceplates, is developed from the closed form solution of the governing differential equation. This enables the powerful modelling features associated with the finite element technique to be utilised, including the ability to account for nodal masses, spring support stiffnesses and non-classical boundary conditions. However, such a formulation necessitates the solution of a transcendental eigenvalue problem. This is accomplished using the Wittrick-Williams algorithm, which enables the required natural frequencies to be converged upon to any required accuracy with the certain knowledge that none have been missed. The accuracy of the method is confirmed by comparison with three sets of published results and a final example indicates its range of application.

  15. Coherent exciton dynamics in a dissipative environment maintained by an off-resonant vibrational mode

    Science.gov (United States)

    Levi, E. K.; Irish, E. K.; Lovett, B. W.

    2016-04-01

    The interplay between an open quantum system and its environment can lead to both coherent and incoherent behavior. We explore the extent to which strong coupling to a single bosonic mode can alter the coherence properties of a two-level system in a structured environment. This mode is treated exactly, with the rest of the environment comprising a Markovian bath of bosonic modes. The strength of the coupling between the two-level system and the single mode is varied for a variety of forms for the bath spectral density in order to assess whether the coherent dynamics of the two-level system are modified. We find a clear renormalization of the site population oscillation frequency that causes an altered interaction with the bath. This leads to enhanced or reduced coherent behavior of the two-level system, depending on the form of the spectral density function. We present an intuitive interpretation, based on an analytical model, to explain the behavior.

  16. The Shock and Vibration Bulletin. Part 3. Analytical Methods, Dynamic Analysis, Vehicle Systems

    Science.gov (United States)

    1981-05-01

    bpp ’ (24) L V* ki k2K 2 + (1 (ZT~~ - !I + !- 2) Y(IJ) and the value of bpp ’ can be tabulated as in 101 L .’blel1I...mI Table It. Values of bpp in Equation (24) The assembling of equations for a gun dynamics problem is more involved. The basic r1 procedures...20,, Fig. : RePos Of Crane Boom for Sinusoidaltinpu 64 60, t x 40. .5 . / KA 0-020 " - S./ 30, % 0.075 AWN 20 10, - (rw/) Fig. 10: Plot of Jetjvs w for %0 Variation 60 omir~u woa 9ao$.l/a Kp- . MA1 /

  17. Evaluation of Flow-Induced Dynamic Stress and Vibration of Volute Casing for a Large-Scale Double-Suction Centrifugal Pump

    Directory of Open Access Journals (Sweden)

    Fu-Jun Wang

    2013-01-01

    Full Text Available The transient analysis was carried out to investigate the dynamic stress and vibration of volute casing for a large double-suction centrifugal pump by using the transient fluid-structure interaction theory. The flow pulsations at flow rate ranging from 60% to 100% of the nominal flow rate (Qd were taken as the boundary conditions for FEM analysis of the pump volute casing structure. The results revealed that, for all operating conditions, the maximum stress located at the volute tongue region, whereas the maximum vibration displacement happened close to the shaft hole region. It was also found that the blade passing frequency and its harmonics were dominant in the variations of dynamic stress and vibration displacement. The amplitude of the dominant frequency for the maximum stress detected at 0.6 Qd was 1.14 times that at Qd, lower than the related difference observed for pressure fluctuations (3.23 times. This study provides an effective method to quantify the flow-induced structural dynamic characteristics for a large-scale double-suction pump. It can be used to direct the hydraulic and structural design and stable operation, as well as fatigue life prediction for large-scale pumps.

  18. Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

    Energy Technology Data Exchange (ETDEWEB)

    Ravi Kumar, Venkatraman; Umapathy, Siva, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore 560012 (India); Verma, Chandra, E-mail: umapathy@ipc.iisc.ernet.in, E-mail: chandra@bii.a-star.edu.sg [Bioinformatics Institute - A*STAR, 30 Biopolis Street, # 07-01 Matrix, Singapore 138671 (Singapore); School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive, Singapore 637551 (Singapore); Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore)

    2016-02-14

    Solvent plays a key role in diverse physico-chemical and biological processes. Therefore, understanding solute-solvent interactions at the molecular level of detail is of utmost importance. A comprehensive solvatochromic analysis of benzophenone (Bzp) was carried out in various solvents using Raman and electronic spectroscopy, in conjunction with Density Functional Theory (DFT) calculations of supramolecular solute-solvent clusters generated using classical Molecular Dynamics Simulations (c-MDSs). The >C=O stretching frequency undergoes a bathochromic shift with solvent polarity. Interestingly, in protic solvents this peak appears as a doublet: c-MDS and ad hoc explicit solvent ab initio calculations suggest that the lower and higher frequency peaks are associated with the hydrogen bonded and dangling carbonyl group of Bzp, respectively. Additionally, the dangling carbonyl in methanol (MeOH) solvent is 4 cm{sup −1} blue-shifted relative to acetonitrile solvent, despite their similar dipolarity/polarizability. This suggests that the cybotactic region of the dangling carbonyl group in MeOH is very different from its bulk solvent structure. Therefore, we propose that this blue-shift of the dangling carbonyl originates in the hydrophobic solvation shell around it resulting from extended hydrogen bonding network of the protic solvents. Furthermore, the 1{sup 1}nπ{sup ∗} (band I) and 1{sup 1}ππ{sup ∗} (band II) electronic transitions show a hypsochromic and bathochromic shift, respectively. In particular, these shifts in protic solvents are due to differences in their excited state-hydrogen bonding mechanisms. Additionally, a linear relationship is obtained for band I and the >C=O stretching frequency (cm{sup −1}), which suggests that the different excitation wavelengths in band I correspond to different solvation states. Therefore, we hypothesize that the variation in excitation wavelengths in band I could arise from different solvation states leading to

  19. Dynamics

    CERN Document Server

    Goodman, Lawrence E

    2001-01-01

    Beginning text presents complete theoretical treatment of mechanical model systems and deals with technological applications. Topics include introduction to calculus of vectors, particle motion, dynamics of particle systems and plane rigid bodies, technical applications in plane motions, theory of mechanical vibrations, and more. Exercises and answers appear in each chapter.

  20. A spectral dynamic stiffness method for free vibration analysis of plane elastodynamic problems

    Science.gov (United States)

    Liu, X.; Banerjee, J. R.

    2017-03-01

    A highly efficient and accurate analytical spectral dynamic stiffness (SDS) method for modal analysis of plane elastodynamic problems based on both plane stress and plane strain assumptions is presented in this paper. First, the general solution satisfying the governing differential equation exactly is derived by applying two types of one-dimensional modified Fourier series. Then the SDS matrix for an element is formulated symbolically using the general solution. The SDS matrices are assembled directly in a similar way to that of the finite element method, demonstrating the method's capability to model complex structures. Any arbitrary boundary conditions are represented accurately in the form of the modified Fourier series. The Wittrick-Williams algorithm is then used as the solution technique where the mode count problem (J0) of a fully-clamped element is resolved. The proposed method gives highly accurate solutions with remarkable computational efficiency, covering low, medium and high frequency ranges. The method is applied to both plane stress and plane strain problems with simple as well as complex geometries. All results from the theory in this paper are accurate up to the last figures quoted to serve as benchmarks.

  1. Final Technical Report Structural Dynamics in Complex Liquids Studied with Multidimensional Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Tokmakoff, Andrei [Univ. of Chicago, IL (United States); Fiechtner, Gregory J. [Univ. of Chicago, IL (United States)

    2015-12-10

    This grant supported work in the Tokmakoff lab at the University of Chicago aimed at understanding the fundamental properties of water at a molecular level, and how water participates in proton transport in aqueous media. The physical properties of water and aqueous solutions are inextricably linked with efforts to develop new sustainable energy sources. Energy conversion, storage, and transduction processes, particularly those that occur in biology and soft matter, make use of water for the purpose of storing and moving charge. Water’s unique physical and chemical properties depend on the ability of water molecules to participate in up to four hydrogen bonds, and the rapid fluctuations and ultrafast energy dissipation of its hydrogenbonded networks. Our work during the grant period led to advances in four areas: (1) the generation of short pulses of broadband infrared light (BBIR) for use in time-resolved twodimensional spectroscopy (2D IR), (2) the investigation of the spectroscopy and transport of excess protons in water, (3) the study of aqueous hydroxide to describe the interaction of the ion and water and the dynamics of proton transfer, and (4) the coupled motion of water and its hydrogen-bonding solutes.

  2. Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole

    Science.gov (United States)

    Menon, Vidya V.; Foto, Egemen; Mary, Y. Sheena; Karatas, Esin; Panicker, C. Yohannan; Yalcin, Gözde; Armaković, Stevan; Armaković, Sanja J.; Van Alsenoy, C.; Yildiz, Ilkay

    2017-02-01

    FT-IR and FT-Raman spectra of 5-nitro-2-phenoxymethylbenzimidazole were recorded and analyzed theoretically and experimentally. The splitting of Nsbnd H stretching mode in the IR spectrum with a red shift from the calculated value indicates the weakening of the NH bond. The theoretical calculations give the phenyl ring breathing modes at 999 cm-1 for mono substituted benzene ring and at 1040 cm-1 for tri-substituted benzene ring. The theoretical NMR chemical shifts are in agreement with the experimental chemical shifts. The most reactive sites for electrophilic and nucleophilic attack are predicted from the MEP analysis. HOMO of π nature is delocalized over the entire molecule whereas the LUMO is located over the complete molecule except mono-substituted phenyl ring and oxygen atom. Reactive sites of the title molecule have been located with the help of ALIE surfaces and Fukui functions. In order to determine locations prone to autoxidation and locations interesting for starting of degradation, bond dissociation energies have been calculated for all single acyclic bonds. For the determination of atoms with pronounced interactions with water we have calculated radial distribution functions obtained after molecular dynamics simulations. The calculated first hyperpolarizability of the title compound is 58.03 times that of standard nonlinear optical material urea. The substrate binding site interactions of the title compound with Topo II enzyme is reported by using molecular docking study. Biological activity studies show that the title compound can be leaded for developing new anticancer agents.

  3. PREFACE: Vibrations at surfaces Vibrations at surfaces

    Science.gov (United States)

    Rahman, Talat S.

    2011-12-01

    This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of

  4. One dimension spring supported ball on top of a sinusoidal vibrating plate: A forced oscillation simulation using molecular dynamics method

    CERN Document Server

    Viridi, Sparisoma; Hidayat, Wahyu; Singarimbun, Alamta; Balkis, Sitti

    2011-01-01

    A ball supported by a spring is set on top of a plate which is sinusoidal vibrated. The motion is limited to one dimension motion. It is assumed that the spring is an ideal one with zero mass. The vibrating plate is considered much heavier than the ball, so that the ball motion has no influence on the plate motion. Plate vibration frequency is varied around the frequency of ball-spring system. Resonance phenomenon is reported, which needs a phase match condition to occur.

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

    Science.gov (United States)

    Kari, Leif

    2017-09-01

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

  6. Vibrations and Stability

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel

    dynamical phenomena that can be encountered in engineering and scientific practice. It progresses steadily from linear vibration theory over various levels of nonlinearity to bifurcation analysis, global dynamics and chaotic vibrations. It trains the student to analyze simple models, recognize nonlinear...... phenomena and work with advanced tools such as perturbation analysis and bifurcation analysis. Explaining theory in terms of relevant examples from real systems, this book is user-friendly and meets the increasing interest in non-linear dynamics in mechanical/structural engineering and applied mathematics...

  7. State Space Formulation of Nonlinear Vibration Responses Collected from a Dynamic Rotor-Bearing System: An Extension of Bearing Diagnostics to Bearing Prognostics

    Directory of Open Access Journals (Sweden)

    Peter W. Tse

    2017-02-01

    Full Text Available Bearings are widely used in various industries to support rotating shafts. Their failures accelerate failures of other adjacent components and may cause unexpected machine breakdowns. In recent years, nonlinear vibration responses collected from a dynamic rotor-bearing system have been widely analyzed for bearing diagnostics. Numerous methods have been proposed to identify different bearing faults. However, these methods are unable to predict the future health conditions of bearings. To extend bearing diagnostics to bearing prognostics, this paper reports the design of a state space formulation of nonlinear vibration responses collected from a dynamic rotor-bearing system in order to intelligently predict bearing remaining useful life (RUL. Firstly, analyses of nonlinear vibration responses were conducted to construct a bearing health indicator (BHI so as to assess the current bearing health condition. Secondly, a state space model of the BHI was developed to mathematically track the health evolution of the BHI. Thirdly, unscented particle filtering was used to predict bearing RUL. Lastly, a new bearing acceleration life testing setup was designed to collect natural bearing degradation data, which were used to validate the effectiveness of the proposed bearing prognostic method. Results show that the prediction accuracy of the proposed bearing prognostic method is promising and the proposed bearing prognostic method is able to reflect future bearing health conditions.

  8. 2008 Vibrational Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Philip J. Reid

    2009-09-21

    The conference focuses on using vibrational spectroscopy to probe structure and dynamics of molecules in gases, liquids, and interfaces. The goal is to bring together a collection of researchers who share common interests and who will gain from discussing work at the forefront of several connected areas. The intent is to emphasize the insights and understanding that studies of vibrations provide about a variety of systems.

  9. Nonlinear dynamics and control strategies: On a energy harvester vibrating system with a linear form to non-ideal motor torquet

    Directory of Open Access Journals (Sweden)

    de Pontes B. R.

    2012-07-01

    Full Text Available In this paper, we deal with the research of a vibrating model of an energy harvester device, including the nonlinearities in the model of the piezoelectric coupling and the non-ideal excitation. We show, using numerical simulations, in the analysis of the dynamic responses, that the harvested power is influenced by non-linear vibrations of the structure. Chaotic behavior was also observed, causing of the loss of energy throughout the simulation time. Using a perturbation technique, we find an approximate analytical solution for the non-ideal system. Then, we apply both two control techniques, to keep the considered system, into a stable condition. Both the State Dependent Ricatti Equation (SDRE control as the feedback control by changing the energy of the oscillator, were efficient in controlling of the considered non-ideal system.

  10. Direct dynamics trajectory study of the reaction of formaldehyde cation with D2: vibrational and zero-point energy effects on quasiclassical trajectories.

    Science.gov (United States)

    Liu, Jianbo; Song, Kihyung; Hase, William L; Anderson, Scott L

    2005-12-22

    Quasiclassical, direct dynamics trajectories have been used to study the reaction of formaldehyde cation with molecular hydrogen, simulating the conditions in an experimental study of H2CO+ vibrational effects on this reaction. Effects of five different H2CO+ modes were probed, and we also examined different approaches to treating zero-point energy in quasiclassical trajectories. The calculated absolute cross-sections are in excellent agreement with experiments, and the results provide insight into the reaction mechanism, product scattering behavior, and energy disposal, and how they vary with impact parameter and reactant state. The reaction is sharply orientation-dependent, even at high collision energies, and both trajectories and experiment find that H2CO+ vibration inhibits reaction. On the other hand, the trajectories do not reproduce the anomalously strong effect of nu2(+) (the CO stretch). The origin of the discrepancy and approaches for minimizing such problems in quasiclassical trajectories are discussed.

  11. Analysis of structure and vibrational dynamics of the BeTe(001) surface using X-ray diffraction, Raman spectroscopy, and density functional theory

    DEFF Research Database (Denmark)

    Kumpf, C.; Müller, A.; Weigand, W.;

    2003-01-01

    The atomic structure and lattice dynamics of epitaxial BeTe(001) thin films are derived from surface x-ray diffraction and Raman spectroscopy. On the Te-rich BeTe(001) surface [1 (1) over bar0]-oriented Te dimers are identified. They cause a (2 X 1) superstructure and induce a pronounced buckling...... in the underlying Te layer. The Be-rich surface exhibits a (4 X 1) periodicity with alternating Te dimers and Te-Be-Te trimers. A vibration eigenfrequency of 165 cm(-1) is observed for the Te-rich surface, while eigenmodes at 157 and 188 cm(-1) are found for the Be-rich surface. The experimentally derived atomic...... geometry and the vibration modes are in very good agreement with the results of density functional theory calculations....

  12. Scalable High-Performance Algorithm for the Simulation of Exciton Dynamics. Application to the Light-Harvesting Complex II in the Presence of Resonant Vibrational Modes.

    Science.gov (United States)

    Kreisbeck, Christoph; Kramer, Tobias; Aspuru-Guzik, Alán

    2014-09-09

    The accurate simulation of excitonic energy transfer in molecular complexes with coupled electronic and vibrational degrees of freedom is essential for comparing excitonic system parameters obtained from ab initio methods with measured time-resolved spectra. Several exact methods for computing the exciton dynamics within a density-matrix formalism are known but are restricted to small systems with less than 10 sites due to their computational complexity. To study the excitonic energy transfer in larger systems, we adapt and extend the exact hierarchical equation of motion (HEOM) method to various high-performance many-core platforms using the Open Compute Language (OpenCL). For the light-harvesting complex II (LHC II) found in spinach, the HEOM results deviate from predictions of approximate theories and clarify the time scale of the transfer process. We investigate the impact of resonantly coupled vibrations on the relaxation and show that the transfer does not rely on a fine-tuning of specific modes.

  13. Scalable high-performance algorithm for the simulation of exciton-dynamics. Application to the light harvesting complex II in the presence of resonant vibrational modes

    DEFF Research Database (Denmark)

    Kreisbeck, Christoph; Kramer, Tobias; Aspuru-Guzik, Alán

    2014-01-01

    The accurate simulation of excitonic energy transfer in molecular complexes with coupled electronic and vibrational degrees of freedom is essential for comparing excitonic system-parameters obtained from ab-initio methods with measured time-resolved spectra. Several exact methods for computing...... the exciton dynamics within a density-matrix formalism are known, but are restricted to small systems with less than ten sites due to their computational complexity. To study the excitonic energy transfer in larger systems, we adapt and extend the exact hierarchical equation of motion (HEOM) method to various...... coupled vibrations on the relaxation and show that the transfer does not rely on a fine-tuning of specific modes....

  14. A coatable, light-weight, fast-response nanocomposite sensor for the in situ acquisition of dynamic elastic disturbance: from structural vibration to ultrasonic waves

    Science.gov (United States)

    Zeng, Zhihui; Liu, Menglong; Xu, Hao; Liu, Weijian; Liao, Yaozhong; Jin, Hao; Zhou, Limin; Zhang, Zhong; Su, Zhongqing

    2016-06-01

    Inspired by an innovative sensing philosophy, a light-weight nanocomposite sensor made of a hybrid of carbon black (CB)/polyvinylidene fluoride (PVDF) has been developed. The nanoscalar architecture and percolation characteristics of the hybrid were optimized in order to fulfil the in situ acquisition of dynamic elastic disturbance from low-frequency vibration to high-frequency ultrasonic waves. Dynamic particulate motion induced by elastic disturbance modulates the infrastructure of the CB conductive network in the sensor, with the introduction of the tunneling effect, leading to dynamic alteration in the piezoresistivity measured by the sensor. Electrical analysis, morphological characterization, and static/dynamic electromechanical response interrogation were implemented to advance our insight into the sensing mechanism of the sensor, and meanwhile facilitate understanding of the optimal percolation threshold. At the optimal threshold (˜6.5 wt%), the sensor exhibits high fidelity, a fast response, and high sensitivity to ultrafast elastic disturbance (in an ultrasonic regime up to 400 kHz), yet with an ultralow magnitude (on the order of micrometers). The performance of the sensor was evaluated against a conventional strain gauge and piezoelectric transducer, showing excellent coincidence, yet a much greater gauge factor and frequency-independent piezoresistive behavior. Coatable on a structure and deployable in a large quantity to form a dense sensor network, this nanocomposite sensor has blazed a trail for implementing in situ sensing for vibration- or ultrasonic-wave-based structural health monitoring, by striking a compromise between ‘sensing cost’ and ‘sensing effectiveness’.

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

    Science.gov (United States)

    Campetella, M.; Bovi, D.; Caminiti, R.; Guidoni, L.; Bencivenni, L.; Gontrani, L.

    2016-07-01

    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-1), where the vibrational motions involve the NH3+ group responsible for hydrogen bond formation, and to the frequency range 1200-1400 cm-1 where the antisymmetric stretching mode (ν3) of nitrate is found. Its multiple absorption lines in the liquid arise from the removal of the degeneracy present in the D3h 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.

  16. Vibration interaction in a multiple flywheel system

    Science.gov (United States)

    Firth, Jordan; Black, Jonathan

    2012-03-01

    This paper investigates vibration interaction in a multiple flywheel system. Flywheels can be used for kinetic energy storage in a satellite Integrated Power and Attitude Control System (IPACS). One hitherto unstudied problem with IPACS is vibration interaction between multiple unbalanced wheels. This paper uses a linear state-space dynamics model to study the impact of vibration interaction. Specifically, imbalance-induced vibration inputs in one flywheel rotor are used to cause a resonant whirling vibration in another rotor. Extra-synchronous resonant vibrations are shown to exist, but with damping modeled the effect is minimal. Vibration is most severe when both rotors are spinning in the same direction.

  17. Dynamics and Control of Lateral Tower Vibrations in Offshore Wind Turbines by Means of Active Generator Torque

    Directory of Open Access Journals (Sweden)

    Zili Zhang

    2014-11-01

    Full Text Available Lateral tower vibrations of offshore wind turbines are normally lightly damped, and large amplitude vibrations induced by wind and wave loads in this direction may significantly shorten the fatigue life of the tower. This paper proposes the modeling and control of lateral tower vibrations in offshore wind turbines using active generator torque. To implement the active control algorithm, both the mechanical and power electronic aspects have been taken into consideration. A 13-degrees-of-freedom aeroelastic wind turbine model with generator and pitch controllers is derived using the Euler–Lagrangian approach. The model displays important features of wind turbines, such as mixed moving frame and fixed frame-defined degrees-of-freedom, couplings of the tower-blade-drivetrain vibrations, as well as aerodynamic damping present in different modes of motions. The load transfer mechanisms from the drivetrain and the generator to the nacelle are derived, and the interaction between the generator torque and the lateral tower vibration are presented in a generalized manner. A three-dimensional rotational sampled turbulence field is generated and applied to the rotor, and the tower is excited by a first order wave load in the lateral direction. Next, a simple active control algorithm is proposed based on active generator torques with feedback from the measured lateral tower vibrations. A full-scale power converter configuration with a cascaded loop control structure is also introduced to produce the feedback control torque in real time. Numerical simulations have been carried out using data calibrated to the referential 5-MW NREL (National Renewable Energy Laboratory offshore wind turbine. Cases of drivetrains with a gearbox and direct drive to the generator are considered using the same time series for the wave and turbulence loadings. Results show that by using active generator torque control, lateral tower vibrations can be significantly mitigated for

  18. Improved Active Vibration Isolation Systems

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The control force, feedback gain, and actuator stroke of several active vibration isolation systems were analyzed based on a single-layer active vibration isolation system. The analysis shows that the feedback gain and actuator stroke cannot be selected independently and the active isolation system design must make a compromise between the feedback gain and actuator stroke. The performance of active isolation systems can be improved by the joint vibration reduction using an active vibration isolation system with an adaptive dynamic vibration absorber. The results show that the joint vibration reduction method can successfully avoid the compromise between the feedback gain and actuator stroke. The control force and the object vibration amplitude are also greatly reduced.

  19. Análisis vibrodinámico de motores eléctricos // Vibrational and dynamic analysis of electric motors

    Directory of Open Access Journals (Sweden)

    Orestes González-Quintero

    2010-01-01

    Full Text Available ResumenEl artículo aborda el estudio vibrodinámico ejecutado en motores eléctricos de la fábrica de azúcar“Cristino Naranjo” durante la implementación del mantenimiento predictivo. En el mismo seexponen los trabajos realizados en las diferentes etapas de implementación del mantenimiento y eldiagnóstico de defectos mediante la utilización del análisis espectral de vibraciones. Se muestranespectros de motor con problemas y en funcionamiento normal.Palabras claves: Ingeniería de Mantenimiento, Mantenimiento Predictivo, análisis, vibraciones.__________________________________________________________________________________AbstractThis work is concerned with the vibrational and dynamic study of electrical motors located inCristino Naranjo sugar mill. It is done during the predictive maintenance implementation. At thesome time some works are shown during this process as well the failures diagnostic by means ofthe use of spectrum analysis of vibration. The spectrums shown are related to motors withdifficulties or well working.Key words: Maintenance Engineering, Predictive Maintenance, vibration, análisis.

  20. Theoretical Studies of the Role of Vibrational Excitation on the Dynamics of the Hydrogen-Transfer Reaction of F(^2P) + HCl → FH + Cl({^2}P)

    Science.gov (United States)

    Ray, Sara E.; Vissers, Gé W. M.; McCoy, Anne B.

    2009-06-01

    Hydrogen-transfer reactions are probed through vibrational excitation of the HCl bond in the pre-reactive F\\cdotsHCl complex. Such open-shell species provide a challenge for quantum dynamical calculations due to the need to take into account multiple potential energy surfaces to accurately describe the system.A three-dimensional, fully-coupled potential energy surface has been constructed based on electronic energies calculated at the multireference configuration interaction+Davidson correction (MRCI+Q) level of theory with an aug-cc-pVnZ (n=2,3,4) basis. Spin orbit calculations have also been included. Here we present the results of time-dependent quantum wave packet calculations on the asymmetric hydrogen-transfer reaction of F(^2P) + HCl. In these calculations, the reaction is initiated by vibrationally exciting the HCl stretching motion in the pre-reactive F\\cdotsHCl complex. The wave packet is propagated on the coupled potential energy surfaces. Product state distributions were calculated for reactions initiated in the first three vibrationally excited states of HCl, v=1-3. M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt J. Chem. Phys. 124 (22) 224303 (2006) M. P. Deskevich and D. J. Nesbitt private communication(2007)

  1. Comparison of static and dynamic methods of treatment of anharmonicity for the vibrational study of isolated and aqueous forms of guanine

    Science.gov (United States)

    Thicoipe, Sandrine; Carbonniere, Philippe; Pouchan, Claude

    2014-01-01

    This theoretical study provides the anharmonic vibrational wavenumbers of isolated and aqueous guanine. They were performed at the DFT B3LYP/6-31+G(d,p) level of theory using two different ways for the treatment of anharmonicity: time-independent (VPT2) and time-dependent (molecular dynamics) approaches. The wavenumbers obtained are compared to experimental data for isolated and aqueous forms: the VPT2 approach is slightly better than MD, especially for the determination of stretching and wagging (NH) motions. Finally, the structural model of solvatation used for aqueous guanine which combines an explicit solvent model with a polarizable continuum model (PCM) was validated.

  2. Vibrational dynamics and solvatochromism of the label SCN in various solvents and hemoglobin by time dependent IR and 2D-IR spectroscopy.

    Science.gov (United States)

    van Wilderen, Luuk J G W; Kern-Michler, Daniela; Müller-Werkmeister, Henrike M; Bredenbeck, Jens

    2014-09-28

    We investigated the characteristics of the thiocyanate (SCN) functional group as a probe of local structural dynamics for 2D-IR spectroscopy of proteins, exploiting the dependence of vibrational frequency on the environment of the label. Steady-state and time-resolved infrared spectroscopy are performed on the model compound methylthiocyanate (MeSCN) in solvents of different polarity, and compared to data obtained on SCN as a local probe introduced as cyanylated cysteine in the protein bovine hemoglobin. The vibrational lifetime of the protein label is determined to be 37 ps, and its anharmonicity is observed to be lower than that of the model compound (which itself exhibits solvent-independent anharmonicity). The vibrational lifetime of MeSCN generally correlates with the solvent polarity, i.e. longer lifetimes in less polar solvents, with the longest lifetime being 158 ps. However, the capacity of the solvent to form hydrogen bonds complicates this simplified picture. The long lifetime of the SCN vibration is in contrast to commonly used azide labels or isotopically-labeled amide I and better suited to monitor structural rearrangements by 2D-IR spectroscopy. We present time-dependent 2D-IR data on the labeled protein which reveal an initially inhomogeneous structure around the CN oscillator. The distribution becomes homogeneous after 5 picoseconds so that spectral diffusion has effectively erased the 'memory' of the CN stretching frequency. Therefore, the 2D-IR data of the label incorporated in hemoglobin demonstrate how SCN can be utilized to sense rearrangements in the local structure on a picosecond timescale.

  3. Low frequency dynamics of the nitrogenase MoFe protein via femtosecond pump probe spectroscopy - Observation of a candidate promoting vibration.

    Science.gov (United States)

    Maiuri, Margherita; Delfino, Ines; Cerullo, Giulio; Manzoni, Cristian; Pelmenschikov, Vladimir; Guo, Yisong; Wang, Hongxin; Gee, Leland B; Dapper, Christie H; Newton, William E; Cramer, Stephen P

    2015-12-01

    We have used femtosecond pump-probe spectroscopy (FPPS) to study the FeMo-cofactor within the nitrogenase (N2ase) MoFe protein from Azotobacter vinelandii. A sub-20-fs visible laser pulse was used to pump the sample to an excited electronic state, and a second sub-10-fs pulse was used to probe changes in transmission as a function of probe wavelength and delay time. The excited protein relaxes to the ground state with a ~1.2ps time constant. With the short laser pulse we coherently excited the vibrational modes associated with the FeMo-cofactor active site, which are then observed in the time domain. Superimposed on the relaxation dynamics, we distinguished a variety of oscillation frequencies with the strongest band peaks at ~84, 116, 189, and 226cm(-1). Comparison with data from nuclear resonance vibrational spectroscopy (NRVS) shows that the latter pair of signals comes predominantly from the FeMo-cofactor. The frequencies obtained from the FPPS experiment were interpreted with normal mode calculations using both an empirical force field (EFF) and density functional theory (DFT). The FPPS data were also compared with the first reported resonance Raman (RR) spectrum of the N2ase MoFe protein. This approach allows us to outline and assign vibrational modes having relevance to the catalytic activity of N2ase. In particular, the 226cm(-1) band is assigned as a potential 'promoting vibration' in the H-atom transfer (or proton-coupled electron transfer) processes that are an essential feature of N2ase catalysis. The results demonstrate that high-quality room-temperature solution data can be obtained on the MoFe protein by the FPPS technique and that these data provide added insight to the motions and possible operation of this protein and its catalytic prosthetic group. Copyright © 2015 Elsevier Inc. All rights reserved.

  4. Infrared transient grating measurements of the dynamics of hydrogen local mode vibrations in amorphous silicon-germanium

    NARCIS (Netherlands)

    Jobson, K.W.; Wells, J.P.R.; Schropp, R.E.I.; Vinh, N.Q.; Dijkhuis, J.I.

    2008-01-01

    We report on picosecond, time-resolved measurements of the vibrational relaxation and decay pathways of the Si–H and Ge–H stretching modes in hydrogenated amorphous silicon-germanium thin films (a-SiGe:H). It is demonstrated that the decay of both modes has a nonexponential shape, attributable to th

  5. Infrared transient grating measurements of the dynamics of hydrogen local mode vibrations in amorphous silicon-germanium

    NARCIS (Netherlands)

    Jobson, K. W.; Wells, J. P. R.; Schropp, R. E. I.; Vinh, N. Q.; Dijkhuis, J. I.

    2008-01-01

    We report on picosecond, time-resolved measurements of the vibrational relaxation and decay pathways of the Si-H and Ge-H stretching modes in hydrogenated amorphous silicon-germanium thin films (a-SiGe: H). It is demonstrated that the decay of both modes has a nonexponential shape, attributable to t

  6. Sliding mode attitude control with L 2-gain performance and vibration reduction of flexible spacecraft with actuator dynamics

    Science.gov (United States)

    Hu, Qinglei

    2010-09-01

    This paper presents a dual-stage control system design method for the rotational maneuver control and vibration stabilization of a flexible spacecraft. In this design approach, the sub-systems of attitude control and vibration suppression are designed separately using the low order model. Based on the sliding mode control (SMC) theory, a discontinuous attitude control law in the form of the input voltage of the reaction wheel is derived to control the orientation of the spacecraft, incorporating the L 2-gain performance criterion constraint. The resulting closed-loop system is proven to be uniformly ultimately bounded stability and the effect of the external disturbance on both attitude quaternion and angular velocity can be attenuated to the prescribed level as well. In addition, an adaptive version of the control law is designed for adapting the unknown upper bounds of the lumped disturbance such that the limitation of knowing the bound of the disturbance in advance is released. For actively suppressing the induced vibration, strain rate feedback control method is also investigated by using piezoelectric materials as additional sensors and actuators bonded on the surface of the flexible appendages. Numerical simulations are performed to show that rotational maneuver and vibration suppression are accomplished in spite of the presence of disturbance and uncertainty.

  7. Dynamic forces over the interface between a seated human body and a rigid seat during vertical whole-body vibration.

    Science.gov (United States)

    Liu, Chi; Qiu, Yi; Griffin, Michael J

    2017-08-16

    Biodynamic responses of the seated human body are usually measured and modelled assuming a single point of vibration excitation. With vertical vibration excitation, this study investigated how forces are distributed over the body-seat interface. Vertical and fore-and-aft forces were measured beneath the ischial tuberosities, middle thighs, and front thighs of 14 subjects sitting on a rigid flat seat in three postures with different thigh contact while exposed to random vertical vibration at three magnitudes. Measures of apparent mass were calculated from transfer functions between the vertical acceleration of the seat and the vertical or fore-and-aft forces measured at the three locations, and the sum of these forces. When sitting normally or sitting with a high footrest, vertical forces at the ischial tuberosities dominated the vertical apparent mass. With feet unsupported to give increased thigh contact, vertical forces at the front thighs were dominant around 8Hz. Around 3-7Hz, fore-and-aft forces at the middle thighs dominated the fore-and-aft cross-axis apparent mass. Around 8-10Hz, fore-and-aft forces were dominant at the ischial tuberosities with feet supported but at the front thighs with feet unsupported. All apparent masses were nonlinear: as the vibration magnitude increased the resonance frequencies decreased. With feet unsupported, the nonlinearity in the apparent mass was greater at the front thighs than at the ischial tuberosities. It is concluded that when the thighs are supported on a seat it is not appropriate to assume the body has a single point of vibration excitation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. 直齿圆柱齿轮传动系统振动的动力学模型%DYNAMIC MODEL OF A SPUR GEAR TRANSMISSION SYSTEM VIBRATION

    Institute of Scientific and Technical Information of China (English)

    孙月海; 张策; 潘凤章; 陈树勋; 黄永强

    2000-01-01

    By analyzing the torsional and flexural vibrations of a spur gear transmission system which consists of gears, shafts and bearings and taking into consideration the influence of gear eccentric mass and tooth contact frictional force on the system vibrations, the dynamic model of an involute spur gear transmission system is established by using of Lagrange method. A set of 15 degrees of freedom differential equations with time-variable coefficients is given. The results of dynamic response are calculated by a numerical method.%通过对由齿轮、轴与轴承所组成的齿轮传动系统中弯曲振动、扭转振动和横向振动问题的分析,并考虑到齿轮质量偏心和轮齿啮合摩擦力对系统振动的影响,应用拉格朗日方程,建立了一对渐开线直齿轮传动系统振动的数学模型。得到了15自由度的时变系数振动微分方程组,为系统的振动分析奠定了基础。并给出一特定传动条件下的动态响应数值计算结果。

  9. Computer analysis of railcar vibrations

    Science.gov (United States)

    Vlaminck, R. R.

    1975-01-01

    Computer models and techniques for calculating railcar vibrations are discussed along with criteria for vehicle ride optimization. The effect on vibration of car body structural dynamics, suspension system parameters, vehicle geometry, and wheel and rail excitation are presented. Ride quality vibration data collected on the state-of-the-art car and standard light rail vehicle is compared to computer predictions. The results show that computer analysis of the vehicle can be performed for relatively low cost in short periods of time. The analysis permits optimization of the design as it progresses and minimizes the possibility of excessive vibration on production vehicles.

  10. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.

    Science.gov (United States)

    Agarwal, Parag; Bee, Saba; Gupta, Archana; Tandon, Poonam; Rastogi, V K; Mishra, Soni; Rawat, Poonam

    2014-01-01

    FT-IR (4000-400 cm(-1)) and FT-Raman (4000-200 cm(-1)) spectral measurements on solid 2,6-dichlorobenzonitrile (2,6-DCBN) have been done. The molecular geometry, harmonic vibrational frequencies and bonding features in the ground state have been calculated by density functional theory at the B3LYP/6-311++G (d,p) level. A comparison between the calculated and the experimental results covering the molecular structure has been made. The assignments of the fundamental vibrational modes have been done on the basis of the potential energy distribution (PED). To investigate the influence of intermolecular hydrogen bonding on the geometry, the charge distribution and the vibrational spectrum of 2,6-DCBN; calculations have been done for the monomer as well as the tetramer. The intermolecular interaction energies corrected for basis set superposition error (BSSE) have been calculated using counterpoise method. Based on these results, the correlations between the vibrational modes and the structure of the tetramer have been discussed. Molecular electrostatic potential (MEP) contour map has been plotted in order to predict how different geometries could interact. The Natural Bond Orbital (NBO) analysis has been done for the chemical interpretation of hyperconjugative interactions and electron density transfer between occupied (bonding or lone pair) orbitals to unoccupied (antibonding or Rydberg) orbitals. UV spectrum was measured in methanol solution. The energies and oscillator strengths were calculated by Time Dependent Density Functional Theory (TD-DFT) and matched to the experimental findings. TD-DFT method has also been used for theoretically studying the hydrogen bonding dynamics by monitoring the spectral shifts of some characteristic vibrational modes involved in the formation of hydrogen bonds in the ground and the first excited state. The (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge independent atomic orbital

  11. Size-dependent free vibration and dynamic analyses of piezo-electro-magnetic sandwich nanoplates resting on viscoelastic foundation

    Science.gov (United States)

    Arefi, Mohammad; Zenkour, Ashraf M.

    2017-09-01

    In this paper, size-dependent free vibration analysis of a sandwich nanoplate is presented. The sandwich nanoplate is including an elastic nano core and two piezo-electro-magnetic face-sheets as sensor and actuator actuated by electric and magnetic potentials. The sandwich nanoplate is resting on visco-Pasternak's foundation. Hamilton's principle is employed to derive the governing equations of motion based on Kirchhoff plate and nonlocal elasticity theory. The numerical results are presented to study the influence of important parameters of the problem such as applied electric and magnetic potentials, nonlocal parameter and visco-Pasternak's parameters. Furthermore, the influence of various boundary conditions is discussed on the vibration characteristics of the sandwich nanoplate.

  12. Influence of collision energy and vibrational excitation on the dynamics for the H+HBr → H2 + Br reaction

    Indian Academy of Sciences (India)

    Yanhua Wang; Min Peng; Jianying Tong; Yuliang Wang

    2015-08-01

    Quasi-classical trajectory (QCT) calculations of H+HBr → H2 + Br reaction have been performed on a recently proposed ab initio potential energy surface. The reaction probability and integral cross section are found to be in fairly good agreement with the available quantum mechanical (QM) results on this surface. The behavior of reactivity is well consistent with properties of exothermic reaction. Once the energy of vibrational excited HBr is larger than the barrier height, the integral cross sections for the reaction diverge at very low collision energies close to the threshold, similarly to capture reaction. In addition, differential cross sections show that scattering of the product H2 shift from backward to forward directions as the collision energy and vibrational quantum number increase. All the theoretical findings are reasonably explained by the properties of the surface, as well as reactive mechanisms.

  13. Vibrational resonance and implementation of dynamic logic gate in a piecewise-linear Murali-Lakshmanan-Chua circuit

    Science.gov (United States)

    Venkatesh, P. R.; Venkatesan, A.

    2016-10-01

    We report the occurrence of vibrational resonance in piecewise-linear non-autonomous system. Especially, we show that an optimal amplitude of the high frequency second harmonic driving enhances the response of a piece-wise linear non-autonomous Murali-Lakshmanan-Chua (MLC) system to a low frequency first harmonic signal. This phenomenon is illustrated with the analytical solutions of circuit equations characterising the system and finally compared with the numerical method. Further, it has been enunciated explicitly, the implementation of the fundamental NOR/NAND gate via vibrational resonance, both by numerical and analytical solutions. In addition, these logical behaviours (AND/NAND/OR/NOR) can be decided by the amplitude of the input square waves without altering the system parameters.

  14. Dynamic model of large amplitude vibration of a uniform cantilever beam carrying an intermediate lumped mass and rotary inertia

    OpenAIRE

    A. Nikkar; BAGHERI, S.; Saravi,M.

    2014-01-01

    In this paper, a mathematical model of large amplitude vibration of a uniform cantilever beam arising in the structural engineering is proposed. Two efficient and easy mathematical techniques called variational iteration method and He's variational approach are used to solve the governing differential equation of motion. To assess the accuracy of solutions, we compare the results with the Runge-Kutta 4th order. An excellent agreement of the approximate frequencies and periodic solutions with ...

  15. Research on cylindrical shell vibration reduction systems

    Institute of Scientific and Technical Information of China (English)

    XING Xiao-liang; WANG Min-qing

    2008-01-01

    Longitudinal and horizontal vibration must both be reduced in an effective vibration isolation system. We present a cylindrical shell vibration isolator as a dynamic system composed of four springs and dampers. Vibration is directly produced by the motion of machinery, and more is subsequently generated by harmonic frequencies within their structure. To test the effectiveness of our isolator, we first determined equations for the transmission of vibration from the machine to its cylindrical shell. Damping effects produced by the vibration parameters of our system are then analyzed.

  16. Research on the Dynamics of the Hormonal Status of Athletes in a Series of Vibration and Traditional Training Exercises

    Institute of Scientific and Technical Information of China (English)

    Alexander A. Mikheev

    2009-01-01

    The article presents the most important results ot meta bolic (hormonal) study of dosed vibration training (DVT).The author presents vibrating training as an alternative to anabolie steroids on the basis of a comparison of the effective ness of two types of stimulants-forbidden (doping) and non medicinal non-invasive, relating to permitted physical means.The study shows that the level of androgens (testosterone), cortieosteroids (cortisol), thyroid hormones (thyroxine,triiodothyronine) ,hormones of adenohypophysis (prolaetin) increased under the effect of dosed vibration training. At the same time the level of hormones have no changes under traditional strength training with the use of a synthetic anabolie steroid (retabolil). For the duration of a limited period of time (1 mieroeyeles) dosed vibrotraining causes a more powerful secretion of testosterone than the traditional strength training with the use of anabolic steroids. In this case,the overall time spent on the performance of the DVT training program comprises not more than 15% of the time spent on the traditional training exercises.

  17. Waves & vibrations

    OpenAIRE

    Nicolas, Maxime

    2016-01-01

    Engineering school; This course is designed for students of Polytech Marseille, engineering school. It covers first the physics of vibration of the harmonic oscillator with damping and forcing, coupled oscillators. After a presentation of the wave equation, the vibration of strings, beams and membranes are studied.

  18. Torsion Vibration Dynamics of Shafting System with Cardan Joints%十字轴万向节串联轴系扭转动力学分析

    Institute of Scientific and Technical Information of China (English)

    陈晓红; 董海军; 葛文杰; 柏龙

    2011-01-01

    利用集中质量分析法,视传动轴为弹性体、万向节为刚体,建立了十字轴万向节串联轴系扭振分析的等效模型.根据该等效模型,在考虑万向节的传动效率和传动轴的阻尼等条件下,推导了轴系的扭振分析动力学方程.在此基础上分析了中间传动轴刚度和轴间夹角分别对轴系振动角速度响应、传动精度和传动比的影响.通过实例对比分析了不同传动轴刚度和轴间夹角对串联轴系扭转振动影响.研究结果对用于飞机上的十字万向节串联轴系中如何降低轴系质量、减小扭振具有指导意义.%Based on concentration mass method, torsion vibration equivalent model of shafting system with multiple cardan joints is established, as well as torsion vibration dynamical equations of shafting system are presented by considering the transmission efficiency of cardan joints and the damper of transmission shafts. Accordingly, the effect of the stiffness of intermediate shafts and the angle between shafts on the response of shafting system angular velocity, the transmission accuracy and the transmission ratio are analyzed. Finally, the effect of different stiffness of shafts on shafting system is analyzed by instance solution. It provides theoretical references for keeping the torsion vibration of shafting systems used in aeroplane under restraint in its design, and for reducing the mass of driveline.

  19. Calculation of the structure, potential energy surface, vibrational dynamics, and electric dipole properties for the Xe:HI van der Waals complex.

    Science.gov (United States)

    Preller, M; Grunenberg, J; Bulychev, V P; Bulanin, M O

    2011-05-07

    We report the structure and spectroscopic characteristics for the Xe:HI van der Waals binary isomers determined from variational solutions of two-dimensional and three-dimensional (3D) vibrational Schrödinger equations. The solutions are based on a potential energy surface computed at the coupled-cluster level of theory including single and double excitations and a non-iterative perturbation treatment of triple excitations [CCSD(T)]. The dipole moment surface was calculated using quadratic configuration interaction (QCISD). The global potential minimum is shown to be located at the anti-hydrogen-bonded Xe-IH isomer, 21 cm(-1) below the secondary local minimum associated with the hydrogen-bonded Xe-HI isomeric form. The dissociation energy from the global minimum is 245.9 cm(-1). 3D Schrödinger equations are solved for the rotational quantum numbers J = k = 0, 1, and 2, without invoking an adiabatic separation of high- and low-frequency degrees of freedom. The vibrational ground state resides in the Xe-HI potential well, while the first excited state, 8.59 cm(-1) above the ground, occupies the Xe-IH well. We find that intra-complex dynamics exhibits a sudden transformation upon increase of the r(HI) bond length, accompanied by abrupt changes in the geometric and dipole parameters. A similar chaotic behavior is predicted to occur for Xe:DI at a shorter r(DI) bond length, which implies stronger coupling between low- and high-frequency motions in the heavier complex. Our calculations confirm a strong enhancement for the r(HI) stretch fundamental and a significant weakening for the first overtone vibrational transitions in Xe:HI, as compared to those in the free HI molecule. A qualitative explanation of this, earlier experimentally detected effect is suggested.

  20. Study of hydrogen-bonding, vibrational dynamics and structure-activity relationship of genistein using spectroscopic techniques coupled with DFT

    Science.gov (United States)

    Singh, Harshita; Singh, Swapnil; Srivastava, Anubha; Tandon, Poonam; Bharti, Purnima; Kumar, Sudhir; Dev, Kapil; Maurya, Rakesh

    2017-02-01

    The conformational and hydrogen bonding studies of genistein have been performed by combined spectroscopic and quantum chemical approach. The vibrational spectra (FT-IR and FT-Raman), UV-visible and 1H and 13C NMR absorption spectra of genistein have been recorded and examined. The vibrational wavenumbers of optimized geometry and total energy for isolated molecule and hydrogen-bonded dimers of genistein have been determined using the quantum chemical calculation (DFT/B3LYP) with extended 6-311++G (d,p) basis set. The vibrational assignments for the observed FT-IR and FT-Raman spectra of genistein are provided by calculations on monomer and hydrogen-bonded dimer. The quantum theory of atoms in molecules (QTAIM) is used for investigating the nature and strength of hydrogen-bonds. UV-visible spectrum of the genistein was recorded in methanol solvent and the electronic properties were calculated by using time-dependent density functional theory (TD-DFT). The computed HOMO and LUMO energies predicted the type of transition as π → π*. The 1H and 13C NMR signals of the genistein were computed by the Gauge including atomic orbital (GIAO) approach. Natural bond orbital (NBO) analysis predicted the stability of molecules due to charge delocalization and hyper conjugative interactions. NBO analysis shows that there is an Osbnd H⋯O inter and intramolecular hydrogen bond, and π → π* transition in the monomer and dimer, which is consistent with the conclusion obtained by the investigation of molecular structure and assignment of UV-visible spectra.

  1. ANALYSIS OF THE DYNAMIC OF SMALL VIBRATION UNDER GENERALIZED COORDINATE%广义坐标下小振动的分析

    Institute of Scientific and Technical Information of China (English)

    张飞昊; 姜孟瑞

    2011-01-01

    对广义坐标下的小振动进行了研究,应用QR-分解对小振动的矩阵方程进行分析,将广义特征值问题简化为特征值问题,得到特征值的特性.用矩阵分析的结果及里兹方法得到力学体系稳定条件.将广义坐标矩阵方程与利用振形叠加法得到的运动方程进行类比,最终得出结论:体系频率为在广义坐标系中将全部质点选为参考点并进行归一化后所得到刚度矩阵的特征值.%The principle about the dynamic of small vibration under generalized coordinate was studied. The generalized eigenvalue problem was transformed into typical generalized eigenvalue problem , by applying QR decomposition into the analysis of the matrix equation of small vibration. Therefore, the characteristic of the eigenvalue was obtained. The stability condition of the mechanics system was obtained based on the analysis of matrix about the Ritz principle . Finally, the conclusion that the frequency is the eigenvalue of the normalized stiffness matrix, by setting the particles as the reference point, the system under the generalized coordinate is drawn.

  2. Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations

    Science.gov (United States)

    Beegum, Shargina; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armaković, Stevan; Armaković, Sanja J.; Zitko, Jan; Dolezal, Martin; Van Alsenoy, C.

    2017-03-01

    Using density functional theory technique in the B3LYP approximation and cc-pVDZ (5D, 7F) basis set, the molecular structural parameters and vibrational wave numbers of two cyanopyrazine-2-carboxamide derivatives have been investigated. On the basis of potential energy distribution detailed vibrational assignments of observed FT-IR and FT-Raman bands have been proposed. Using molecular electrostatic potential map relative reactivities towards electrophilic and nucleophilic attack are predicted. The first and second hyperpolarizabilities are calculated and the first hyperpolarizability of the title compounds are greater than that of the standard NLO material urea. Molecular studies reveal that the predicted binding affinities of the best poses were -8.7 kcal/mol for BACPC, -9.0 kcal/mol for CBACPC, and -8.8 kcal/mol for the original inhibitor. Efforts were made in order to investigate local reactivity properties of title compounds as well. In order to do so we have calculated average local ionization energy (ALIE) surfaces, Fukui functions, bond dissociation energies (BDE) (within the framework of DFT calculations) and radial distribution functions (RDF) (within the molecular dynamics simulations). ALIE surfaces and Fukui functions gave us initial information on the site reactivity towards electrophilic and nucleophilic attacks. BDE indicated locations that might be prone to autoxidation mechanism, while RDF indicated which atoms of title molecules are having pronounced interactions with water.

  3. Vibrational dynamics of the CN stretching mode of [Ru(CN)6]4- in D2O studied by nonlinear infrared spectroscopy

    Institute of Scientific and Technical Information of China (English)

    Jumpei; TAYAMA; Motohiro; BANNO; Kaoru; OHTA; Keisuke; TOMINAGA

    2010-01-01

    We have studied vibrational dynamics of the T1u mode of the CN stretching mode of [Ru(CN)6 ]4- in D2O by infrared(IR) nonlinear spectroscopy such as an IR three-pulse photon echo experiment and polarization-sensitive IR pump-probe spectroscopy. The isotropic component of the pump-probe signal shows a bi-exponential decay with time constants of 0.8 ps and 20.8 ps. The fast and slow components correspond to the rapid equilibration between the T1u mode and the Raman active modes of the CN stretching mode and the vibrational population relaxation from the v=1 state of the T1u mode,respectively. Anisotropy of the pump-probe signal decays with a time constant of 3.1 ps,which is due to the time evolution of the superposition states of the triply degenerate T1u modes. Three pulse photon echo measurements showed that the time correlation function of the frequency fluctuation decays bi-exponentially with time constants of 80 fs and 1.4 ps. These time constants depend only on the solute and are independent of the solvent,whereas the amplitudes depend on both the solute and solvent.

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

    Science.gov (United States)

    Boulesbaa, Abdelaziz; Borguet, Eric

    2014-02-06

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

  5. 基于磁流变的动力吸振器特性分析%Characteristics of Dynamic Vibration Absorber Based on Magnetorheological Fluids

    Institute of Scientific and Technical Information of China (English)

    周乾; 黄其柏

    2013-01-01

    A intelligent dynamic vibration absorber (DVA) based on magnetorheological fluid (MRF) is presented. MRF has controllable shear modulus when it is exposed to an external magnetic field. It is used as a controllable elastic and damping element here. When the applied current is changed, the magnetic field through MRF will change,then the resonance frequency of the DVA will shift and increase the band of vibration absorption. The structure parameters of DVA are studied, and easy to control the system to select the parameters, intelligent adjust the DVA.%设计了一种基于磁流变液的智能动力吸振器,它利用磁流变液作为吸振器的弹性和阻尼元件,通过改变外加磁场,控制磁流变液的剪切模量来改变吸振器的固有频率,增大吸振器的吸振频带.并对吸振器的结构参数进行了研究,便于控制系统选择参数,智能调节吸振器.

  6. Dynamic Analysis on Vibration Absorber of PVDF Grain Detecting Sensor%PVDF谷物传感器减振结构的动力学分析

    Institute of Scientific and Technical Information of China (English)

    赵湛; 李耀明; 陈义; 梁振伟

    2013-01-01

    为了实现联合收割机工作过程中谷物损失量的实时测量,研究以聚偏氟乙烯(polyvinylidene fluoride,简称PVDF)压电薄膜作为敏感元件的谷物检测传感器,通过由电荷放大、带通滤波、包络检波和电压比较器等构成的信号调制电路,实现谷物冲击信号的检测.为了减小联合收割机振动的干扰,传感器设计为双层隔振结构,分析了减振系统的动力学特性,数值模拟瞬时冲击作用下的响应.将传感器安装在联合收割机振动筛尾端支架上进行谷物检测实验,结果表明,通过合理选择减振材料和调制电路参数,传感器能够从振动噪声背景中有效提取谷粒冲击信号.%To measure the grain loss of combine harvester in real-time, a grain detecting sensor using piezo-electric polyvinylidene fluoride (PVDF) films as sensitive material is presented. Signal processing circuit which is composed of a charge amplifier, band-pass filter, envelope detector and voltage comparator is designed to detect grain impact signal. Double-layer vibration isolation is incorporated in the sensor to e-liminate the influence of combine harvester's vibration. Based on the dynamic analysis of the absorbing system, the sensor response under instantaneous triangular wave-impact is numerical simulated. Then, grain detecting experiments are carried out by assembling the sensor on a support stand which fixed on the vibrating cleaning sieve, the results show that with proper setting the parameters of damping material and processing circuit, the sensor can identify grain impact signal effectively from vibrating noise.

  7. Vibration control of ELTs

    Science.gov (United States)

    Pott, J.-U.

    2011-09-01

    MPIA is the PI institute of the MCAO-supported Fizeau imager LINC-NIRVANA at the LBT, and a partner of the E-ELT first light NIR imager MICADO (both SCAO and MCAO assisted). LINC-NIRVANA is a true pathfinder for future ELT-AO imagers both in terms of size and technology. I will present our vibration control strategies, involving accelerometer based real-time vibration measurements, feedforward and feedback optical path control, predictive filtering, vibration sensitive active control of actuators, and the development of a dynamical model of the entire telescope. Our experiences, made with LINC-NIRVANA, will be fed into the MICADO structural AO design to reach highest on-sky sensitivity.

  8. T dependence of vibrational dynamics of water in ion-exchanged zeolites A: a detailed Fourier transform infrared attenuated total reflection study.

    Science.gov (United States)

    Crupi, Vincenza; Longo, Francesca; Majolino, Domenico; Venuti, Valentina

    2005-10-15

    In order to explore the influence of cation substitution on the vibrational dynamics of water molecules in zeolites, the evolution of structural properties of the O-H stretching band of water in fully hydrated Na-A and Mg-exchanged A zeolites has been studied, for different percentages of induced ion exchange, by Fourier transform infrared attenuated total reflection spectroscopy as a function of temperature. The differences revealed in the O-H stretching band shapes have been accounted by fitting the spectra as a sum of four components, corresponding to water molecules exhibiting different types of hydrogen bonding. The dependencies of the relative intensities, peak wave numbers, and bandwidths of the resolved components on temperature and Mg2+ content have been discussed. Evidence of the "structure-maker" role played by a zeolitic surface on physisorbed water, systematically enhanced by increasing the percentage of induced ion exchange, is given in the whole explored temperature range.

  9. On the vibrational behavior of single- and double-walled carbon nanotubes under the physical adsorption of biomolecules in the aqueous environment: a molecular dynamics study.

    Science.gov (United States)

    Ajori, S; Ansari, R; Darvizeh, M

    2016-03-01

    The adsorption of biomolecules on the walls of carbon nanotubes (CNTs) in an aqueous environment is of great importance in the field of nanobiotechnology. In this study, molecular dynamics (MD) simulations were performed to understand the mechanical vibrational behavior of single- and double-walled carbon nanotubes (SWCNTs and DWCNTs) under the physical adsorption of four important biomolecules (L-alanine, guanine, thymine, and uracil) in vacuum and an aqueous environment. It was observed that the natural frequencies of these CNTs in vacuum reduce under the physical adsorption of biomolecules. In the aqueous environment, the natural frequency of each pure CNT decreased as compared to its natural frequency in vacuum. It was also found that the frequency shift for functionalized CNTs as compared to pure CNTs in the aqueous environment was dependent on the radius and the number of walls of the CNT, and could be positive or negative.

  10. 中厚椭球壳自由振动动力刚度法分析%Free vibration analysis of moderately thick elliptical shells using the dynamic stiffness method

    Institute of Scientific and Technical Information of China (English)

    陈旭东; 叶康生

    2016-01-01

    The application of exact dynamic stiffness method to the free vibration analysis of moderately thick elliptical shells was introduced.The free vibration of moderately thick elliptical shells was decomposed into a series of one-dimensional vibration problems corresponding to structural vibration modes with different circumferential wave numbers. For each one-dimensional vibration problem,the governing equation was written in Hamilton form,from which the dynamic stiffness expression of the one-dimensional problem was derived.The governing equations were solved by using the ordinary differential equations solver COLSYS and the dynamic stiffnesses of elements were obtained.By applying the Wittrick-Williams algorithm,the natural frequencies under the vibration mode with a specific circumferential wave number were found.Numerical examples of moderately thick spherical and elliptical shells with different boundary conditions were given,showing that the dynamic stiffness method is robust,reliable and accurate.%介绍精确动力刚度法分析中厚椭球壳自由振动具体实施方法,据环向波数不同将中厚椭球壳自由振动分解为一系列确定环向波数的一维振动;利用控制方程 Hamilton 形式建立动力刚度关系,用常微分方程求解器 COLSYS 求解控制方程获得单元动力刚度,用 Wittrick-Williams 算法求得该环向波数下椭球壳自振频率。数值算例给出中厚圆球壳及椭球壳不同边界条件的自振频率,验证动力刚度法高效、可靠、精确。

  11. Commentary on "T.G. Ritto, M.R. Escalante, Rubens Sampaio, M.B. Rosales, Drill-string horizontal dynamics with uncertainty on the frictional force, Journal of Sound and Vibration 332 (2013) 145-153"

    Science.gov (United States)

    Ritto, T. G.; Sampaio, Rubens; Rosales, M. B.

    2016-12-01

    The goal of this article is to clarify some points of the formulation presented in the "T.G. Ritto, M.R. Escalante, Rubens Sampaio, M.B. Rosales, Drill-string horizontal dynamics with uncertainty on the frictional force, Journal of Sound and Vibration 332 (2013) 145-153".

  12. Good Vibrations

    OpenAIRE

    Panesar, Lucy

    2007-01-01

    Good Vibrations was a market research exercise conducted by Felicity (my alter-ego) and assistants to help develop marketing and packaging for an electro-therapeutic device (vibrator) used to treat hysteria and other female stress related disorders. It was a live art work commissioned by The Live Art Development Agency for East End Collaborations on 6th May 2007 and the South London Gallery for Bonkersfest on 2nd June 2007.

  13. Vibration sensors

    Science.gov (United States)

    Gupta, Amita; Singh, Ranvir; Ahmad, Amir; Kumar, Mahesh

    2003-10-01

    Today, vibration sensors with low and medium sensitivities are in great demand. Their applications include robotics, navigation, machine vibration monitoring, isolation of precision equipment & activation of safety systems e.g. airbags in automobiles. Vibration sensors have been developed at SSPL, using silicon micromachining to sense vibrations in a system in the 30 - 200 Hz frequency band. The sensing element in the silicon vibration sensor is a seismic mass suspended by thin silicon hinges mounted on a metallized glass plate forming a parallel plate capacitor. The movement of the seismic mass along the vertical axis is monitored to sense vibrations. This is obtained by measuring the change in capacitance. The movable plate of the parallel plate capacitor is formed by a block connected to a surrounding frame by four cantilever beams located on sides or corners of the seismic mass. This element is fabricated by silicon micromachining. Several sensors in the chip sizes 1.6 cm x 1.6 cm, 1 cm x 1 cm and 0.7 cm x 0.7 cm have been fabricated. Work done on these sensors, techniques used in processing and silicon to glass bonding are presented in the paper. Performance evaluation of these sensors is also discussed.

  14. The origins of vibration theory

    Science.gov (United States)

    Dimarogonas, A. D.

    1990-07-01

    The Ionian School of natural philosophy introduced the scientific method of dealing with natural phenomena and the rigorous proofs for abstract propositions. Vibration theory was initiated by the Pythagoreans in the fifth century BC, in association with the theory of music and the theory of acoustics. They observed the natural frequency of vibrating systems and proved that it is a system property and that it does not depend on the excitation. Pythagoreans determined the fundamental natural frequencies of several simple systems, such as vibrating strings, pipes, vessels and circular plates. Aristoteles and the Peripatetic School founded mechanics and developed a fundamental understanding of statics and dynamics. In Alexandrian times there were substantial engineering developments in the field of vibration. The pendulum as a vibration, and probably time, measuring device was known in antiquity, and was further developed by the end of the first millennium AD.

  15. Communication: Ro-vibrational control of chemical reactivity in H+CH{sub 4}→ H{sub 2}+CH{sub 3} : Full-dimensional quantum dynamics calculations and a sudden model

    Energy Technology Data Exchange (ETDEWEB)

    Welsch, Ralph, E-mail: rwelsch@uni-bielefeld.de; Manthe, Uwe, E-mail: uwe.manthe@uni-bielefeld.de [Theoretische Chemie, Fakultät für Chemie, Universität Bielefeld, Universitätsstr. 25, D-33615 Bielefeld (Germany)

    2014-08-07

    The mode-selective chemistry of the title reaction is studied by full-dimensional quantum dynamics simulation on an accurate ab initio potential energy surface for vanishing total angular momentum. Using a rigorous transition state based approach and multi-configurational time-dependent Hartree wave packet propagation, initial state-selected reaction probabilities for many ro-vibrational states of methane are calculated. The theoretical results are compared with experimental trends seen in reactions of methane. An intuitive interpretation of the ro-vibrational control of the chemical reactivity provided by a sudden model based on the quantum transition state concept is discussed.

  16. Constructing Periodic Phase Space Orbits from ab Initio Molecular Dynamics Trajectories to Analyze Vibrational Spectra: Case Study of the Zundel (H5O2(+)) Cation.

    Science.gov (United States)

    Dietrick, Scott M; Iyengar, Srinivasan S

    2012-12-11

    A method of analysis is introduced to probe the spectral features obtained from ab initio molecular dynamics simulations. Here, the instantaneous mass-weighted velocities are projected onto irreducible representations constructed from discrete time translation groups comprising operations that invoke the time-domain symmetries (or periodic phase space orbits) reflected in the spectra. The projected velocities are decomposed using singular value decomposition (SVD) to construct a set of "modes" pertaining to a given frequency domain. These modes now include all anharmonicities, as sampled during the dynamics simulations. In this approach, the underlying motions are probed in a manner invariant with respect to coordinate transformations, operations being performed along the time axis rather than coordinate axes, making the analysis independent of choice of reference frame. The method is used to probe the underlying motions responsible for the doublet at ∼1000 cm(-1) in the vibrational spectrum of the H5O2(+), Zundel cation. The associated analysis results are confirmed by projecting the Fourier transformed velocities onto the harmonic normal mode coordinates and a set of mass-weighted, symmetrized Jacobi coordinates. It is found that the two peaks of the doublet are described and differentiated by their respective contributions from the proton transfer, water-water stretch, and water wag coordinates, as these are defined. Temperature dependent effects are also briefly noted.

  17. Water Orientation at Ceramide/Water Interfaces Studied by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulation

    KAUST Repository

    Adhikari, Aniruddha

    2016-10-10

    Lipid/water interaction is essential for many biological processes. The water structure at the nonionic lipid interface remains little known, and there is no scope of a priori prediction of water orientation at nonionic interfaces, either. Here, we report our study combining advanced nonlinear spectroscopy and molecular dynamics simulation on the water orientation at the ceramide/water interface. We measured χ spectrum in the OH stretch region of ceramide/isotopically diluted water interface using heterodyne-detected vibrational sum-frequency generation spectroscopy and found that the interfacial water prefers an overall hydrogen-up orientation. Molecular dynamics simulation indicates that this preferred hydrogen-up orientation of water is determined by a delicate balance between hydrogen-up and hydrogen-down orientation induced by lipid-water and intralipid hydrogen bonds. This mechanism also suggests that water orientation at neutral lipid interfaces depends highly on the chemical structure of the lipid headgroup, in contrast to the charged lipid interfaces where the net water orientation is determined solely by the charge of the lipid headgroup.

  18. Max Launch Abort System (MLAS) Pad Abort Test Vehicle (PATV) II Attitude Control System (ACS) Integration and Pressurization Subsystem Dynamic Random Vibration Analysis

    Science.gov (United States)

    Ekrami, Yasamin; Cook, Joseph S.

    2011-01-01

    In order to mitigate catastrophic failures on future generation space vehicles, engineers at the National Aeronautics and Space Administration have begun to integrate a novel crew abort systems that could pull a crew module away in case of an emergency at the launch pad or during ascent. The Max Launch Abort System (MLAS) is a recent test vehicle that was designed as an alternative to the baseline Orion Launch Abort System (LAS) to demonstrate the performance of a "tower-less" LAS configuration under abort conditions. The MLAS II test vehicle will execute a propulsive coast stabilization maneuver during abort to control the vehicles trajectory and thrust. To accomplish this, the spacecraft will integrate an Attitude Control System (ACS) with eight hypergolic monomethyl hydrazine liquid propulsion engines that are capable of operating in a quick pulsing mode. Two main elements of the ACS include a propellant distribution subsystem and a pressurization subsystem to regulate the flow of pressurized gas to the propellant tanks and the engines. The CAD assembly of the Attitude Control System (ACS) was configured and integrated into the Launch Abort Vehicle (LAV) design. A dynamic random vibration analysis was conducted on the Main Propulsion System (MPS) helium pressurization panels to assess the response of the panel and its components under increased gravitational acceleration loads during flight. The results indicated that the panels fundamental and natural frequencies were farther from the maximum Acceleration Spectral Density (ASD) vibrations which were in the range of 150-300 Hz. These values will direct how the components will be packaged in the vehicle to reduce the effects high gravitational loads.

  19. Measurement of the membrane dipole electric field in DMPC vesicles using vibrational shifts of p-cyanophenylalanine and molecular dynamics simulations.

    Science.gov (United States)

    Shrestha, Rebika; Cardenas, Alfredo E; Elber, Ron; Webb, Lauren J

    2015-02-19

    The magnitude of the membrane dipole field was measured using vibrational Stark effect (VSE) shifts of nitrile oscillators placed on the unnatural amino acid p-cyanophenylalanine (p-CN-Phe) added to a peptide sequence at four unique positions. These peptides, which were based on a repeating alanine-leucine motif, intercalated into small unilamellar DMPC vesicles which formed an α-helix as confirmed by circular dichroic (CD) spectroscopy. Molecular dynamics simulations of the membrane-intercalated helix containing two of the nitrile probes, one near the headgroup region of the lipid (αLAX(25)) and one buried in the interior of the bilayer (αLAX(16)), were used to examine the structure of the nitrile with respect to the membrane normal, the assumed direction of the dipole field, by quantifying both a small tilt of the helix in the bilayer and conformational rotation of the p-CN-Phe side chain at steady state. Vibrational absorption energies of the nitrile oscillator at each position showed a systematic blue shift as the nitrile was stepped toward the membrane interior; for several different concentrations of peptide, the absorption energy of the nitrile located in the middle of the bilayer was ∼3 cm(-1) greater than that of the nitrile closest to the surface of the membrane. Taken together, the measured VSE shifts and nitrile orientations within the membrane resulted in an absolute magnitude of 8-11 MV/cm for the dipole field, at the high end of the range of possible values that have been accumulated from a variety of indirect measurements. Implications for this are discussed.

  20. Urban vibrations

    DEFF Research Database (Denmark)

    Morrison, Ann; Knudsen, L.; Andersen, Hans Jørgen

    2012-01-01

    In   this   paper   we   describe   a   field   study   conducted   with   a   wearable   vibration   belt   where   we   test   to   determine   the   vibration   intensity   sensitivity   ranges   on   a   large   diverse   group   of   participants   with   evenly   distributed  ages  and......   lab   studies   in   that   we   found   a   decreased   detection   rate   in   busy   environments.   Here   we   test   with   a   much   larger   sample   and   age   range,   and   contribute   with   the   first   vibration  sensitivity  testing  outside  the  lab  in  an  urban   public...

  1. Heat and Mass Transfer Enforcement of Vibrating Fluidized Bed

    Institute of Scientific and Technical Information of China (English)

    ChuZhide; YangJunhong; 等

    1994-01-01

    This paper briefly introduces the development of vibrating fluidized bed at home and abroad,elaborates the vibration properties of vibrating fluidized bed.the fluidizing velocity and pressure drop of the bed layer,it also deduces the non-steady state drying dynamic equations of vibrating fluidized bed,analyzes main factors which influence the drying rate and inquires into drying rules of fixed bed and vibrating fluidized bed.

  2. Automated data-based damage localization under ambient vibration using local modal filters and dynamic strain measurements: Experimental applications

    Science.gov (United States)

    Tondreau, Gilles; Deraemaeker, Arnaud

    2014-12-01

    This paper deals with the experimental application of modal filters for automated damage localization using dynamic strain measurements. Previously developed for damage detection, the extension of modal filtering to damage localization consists in splitting a very large network of dynamic strain sensors into several independent local sensor networks. An efficient signal processing coupled to control charts allows a fully automated data-based damage localization once the modal filters are initialized. The method is tested experimentally on a small clamped-free steel plate and a 3.78 m long steel I-beam, both instrumented with a network of cheap piezoelectric patches to measure the dynamic strains. A removable damage is introduced at different positions by means of a small removable damage device. For both applications, the method can successfully detect and locate all damage cases considered, showing the potentiality of the method for field applications.

  3. Finite element model for arch bridge vibration dynamics considering effect of suspender length adjustment on geometry stiffness matrix

    Institute of Scientific and Technical Information of China (English)

    ZHONG Yi-feng; WANG Rui; YING Xue-gang; CHEN Huai

    2006-01-01

    In this paper, we established a finite element (FEM) model to analyze the dynamic characteristics of arch bridges. In this model, the effects of adjustment to the length of a suspender on its geometry stiffness matrix are stressed. The FEM equations of mechanics characteristics, natural frequency and main mode are set up based on the first order matrix perturbation theory. Applicantion of the proposed model to analyze a real arch bridge proved the improvement in the simulation precision of dynamical characteristics of the arch bridge by considering the effects of suspender length variation.

  4. Direct Dynamics Studies of a Binuclear Metal Complex in Solution: The Interplay Between Vibrational Relaxation, Coherence, and Solvent Effects

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Jónsson, Elvar Örn; Kjær, Kasper Skov

    2014-01-01

    By using a newly implemented QM/MM multiscale MD method to simulate the excited state dynamics of the Ir2(dimen)42+ (dimen = 1,8-diisocyano-p-menthane) complex, we not only report on results that support the two experimentally observed coherent dynamical modes in the molecule but also reveal...... a third mode, not distinguishable by spectroscopic methods. We directly follow the channels of energy dissipation to the solvent and report that the main cause for coherence decay is the initial wide range of configurations in the excited state population. We observe that the solvent can actually extend...

  5. solution of free harmonic vibration equation of simply supported ...

    African Journals Online (AJOL)

    user

    The free vibration analysis of rectangular plates is significant for controlling ... vibrating plate, which values are used in the computation of dynamic ... and efficient computational method. (ii) the solution of complex plate problems is simplified.

  6. Large amplitude forced vibration analysis of cross-beam system ...

    African Journals Online (AJOL)

    user

    governing nonlinear differential equation of dynamic equilibrium for forced vibration of a ...... ω is the first natural frequency of the corresponding beam. ..... Although a separate free vibration analysis of the system is not carried out in course.

  7. Contribution to Experimental Validation of Linear and Non-Linear Dynamic Models for Representing Rotor-Blade Parametric Coupled Vibrations

    DEFF Research Database (Denmark)

    Santos, Ilmar; Saracho, C.M.; Smith, J.T.

    2004-01-01

    This work gives a theoretical and experimental contribution to the problem of rotor-blades dynamic interaction. A validation procedure of mathematical models is carried out with help of a simple test rig, built by a mass-spring system attached to four flexible rotating blades. With this test rig,...

  8. Dynamics Laboratory

    Data.gov (United States)

    Federal Laboratory Consortium — The Dynamics Lab replicates vibration environments for every Navy platform. Testing performed includes: Flight Clearance, Component Improvement, Qualification, Life...

  9. Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD).

    Science.gov (United States)

    Li, Junjie; Li, Xiaohu; Iyengar, Srinivasan S

    2014-06-10

    We discuss a multiconfigurational treatment of the "on-the-fly" electronic structure within the quantum wavepacket ab initio molecular dynamics (QWAIMD) method for coupled treatment of quantum nuclear effects with electronic structural effects. Here, multiple single-particle electronic density matrices are simultaneously propagated with a quantum nuclear wavepacket and other classical nuclear degrees of freedom. The multiple density matrices are coupled through a nonorthogonal configuration interaction (NOCI) procedure to construct the instantaneous potential surface. An adaptive-mesh-guided set of basis functions composed of Gaussian primitives are used to simplify the electronic structure calculations. Specifically, with the replacement of the atom-centered basis functions positioned on the centers of the quantum-mechanically treated nuclei by a mesh-guided band of basis functions, the two-electron integrals used to compute the electronic structure potential surface become independent of the quantum nuclear variable and hence reusable along the entire Cartesian grid representing the quantum nuclear coordinates. This reduces the computational complexity involved in obtaining a potential surface and facilitates the interpretation of the individual density matrices as representative diabatic states. The parametric nuclear position dependence of the diabatic states is evaluated at the initial time-step using a Shannon-entropy-based sampling function that depends on an approximation to the quantum nuclear wavepacket and the potential surface. This development is meant as a precursor to an on-the-fly fully multireference electronic structure procedure embedded, on-the-fly, within a quantum nuclear dynamics formalism. We benchmark the current development by computing structural, dynamic, and spectroscopic features for a series of bihalide hydrogen-bonded systems: FHF(-), ClHCl(-), BrHBr(-), and BrHCl(-). We find that the donor-acceptor structural features are in good

  10. Vibrational spectroscopy

    Science.gov (United States)

    Umesh P. Agarwal; Rajai Atalla

    2010-01-01

    Vibrational spectroscopy is an important tool in modern chemistry. In the past two decades, thanks to significant improvements in instrumentation and the development of new interpretive tools, it has become increasingly important for studies of lignin. This chapter presents the three important instrumental methods-Raman spectroscopy, infrared (IR) spectroscopy, and...

  11. Vibrating minds

    CERN Document Server

    2009-01-01

    Ed Witten is one of the leading scientists in the field of string theory, the theory that describes elementary particles as vibrating strings. This week he leaves CERN after having spent a few months here on sabbatical. His wish is that the LHC will unveil supersymmetry.

  12. Dynamics of Rhodobacter capsulatus [2Fe-2S] Ferredoxin VI and Aquifex aeolicus Ferredoxin 5 Via Nuclear Resonance Vibrational Spectroscopy (NRVS) and Resonance Raman Spectroscopy.

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Yuming; Tan, Ming-Liang; Ichiye, Toshiko; Wang, Hongxin; Guo, Yisong; Smith, Matt C.; Meyer, Jacques; Sturhahn, Wolfgang; Alp, E. E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2008-06-24

    We have used (57)Fe nuclear resonance vibrational spectroscopy (NRVS) to study the Fe(2)S(2)(Cys)(4) sites in oxidized and reduced [2Fe-2S] ferredoxins from Rhodobacter capsulatus (Rc FdVI) and Aquifex aeolicus (Aa Fd5). In the oxidized forms, nearly identical NRVS patterns are observed, with strong bands from Fe-S stretching modes peaking around 335 cm(-1), and additional features observed as high as the B(2u) mode at approximately 421 cm(-1). Both forms of Rc FdVI have also been investigated by resonance Raman (RR) spectroscopy. There is good correspondence between NRVS and Raman frequencies, but because of different selection rules, intensities vary dramatically between the two kinds of spectra. For example, the B(3u) mode at approximately 288 cm(-1), attributed to an asymmetric combination of the two FeS(4) breathing modes, is often the strongest resonance Raman feature. In contrast, it is nearly invisible in the NRVS, as there is almost no Fe motion in such FeS(4) breathing. NRVS and RR analysis of isotope shifts with (36)S-substituted into bridging S(2-) ions in Rc FdVI allowed quantitation of S(2-) motion in different normal modes. We observed the symmetric Fe-Fe stretching mode at approximately 190 cm(-1) in both NRVS and RR spectra. At still lower energies, the NRVS presents a complex envelope of bending, torsion, and protein modes, with a maximum at 78 cm(-1). The (57)Fe partial vibrational densities of states (PVDOS) were interpreted by normal-mode analysis with optimization of Urey-Bradley force fields. Progressively more complex D(2h) Fe(2)S(2)S'(4), C(2h) Fe(2)S(2)(SCC)(4), and C(1) Fe(2)S(2)(Cys)(4) models were optimized by comparison with the experimental spectra. After modification of the CHARMM22 all-atom force field by the addition of refined Fe-S force constants, a simulation employing the complete protein structure was used to reproduce the PVDOS, with better results in the low frequency protein mode region. This process was then repeated

  13. Photoinduced processes in riboflavin: superposition of pi pi*-n pi* states by vibronic coupling, transfer of vibrational coherence, and population dynamics under solvent control.

    Science.gov (United States)

    Weigel, Alexander; Dobryakov, Alexander L; Veiga, Manoel; Pérez Lustres, J Luis

    2008-11-27

    Femtosecond dynamics of riboflavin, the parent chromophore of biological blue-light receptors, was measured by broadband transient absorption and stationary optical spectroscopy in polar solution. Rich photochemistry is behind the small spectral changes observed: (i) loss of oscillator strength around time zero, (ii) sub-picosecond (ps) spectral relaxation of stimulated emission (SE), and (iii) coherent vibrational motion along a' (in-) and a'' (out-of-plane) modes. Loss of oscillator strength is deduced from the differences in the time-zero spectra obtained in water and DMSO, with stationary spectroscopy and fluorescence decay measurements providing additional support. The spectral difference develops faster than the time resolution (20 fs) and is explained by formation of a superposition state between the optically active (1pi pi*) S1 and closely lying dark (1n pi*) states via vibronic coupling. Subsequent spectral relaxation involves decay of weak SE in the blue, 490 nm, together with rise and red shift of SE at 550 nm. The process is controlled by solvation (characteristic times 0.6 and 0.8 ps in water and DMSO, respectively). Coherent oscillations for a' and a'' modes show up in different regions of the SE band. a'' modes emerge in the blue edge of the SE and dephase faster than solvation. In turn, a' oscillations are found in the SE maximum and dephase on the solvation timescale. The spectral distribution of coherent oscillations according to mode symmetry is used to assign the blue edge of the SE band to a 1n pi*-like state (A''), whereas the optically active 1pi pi* (A') state emits around the SE maximum. The following model comes out: optical excitation occurs to the Franck-Condon pi pi* state, a pi pi*-n pi* superposition state is formed on an ultrafast timescale, vibrational coherence is transferred from a' to a'' modes by pi pi*-n pi* vibronic coupling, and subsequent solvation dynamics alters the pi pi*/n pi* population ratio.

  14. Dynamic modeling of combined reaction wheel and vibration isolation platform system%飞轮隔振平台组合系统的动力学建模

    Institute of Scientific and Technical Information of China (English)

    黄庭轩; 张尧; 徐世杰

    2013-01-01

    为分析隔振平台对星上飞轮扰动的衰减效果,研究了飞轮隔振平台组合系统的动力学建模问题.首先推导出含有静动不平衡量的飞轮加隔振平台组合系统的动力学模型.从模型中得出,飞轮和平台之间存在耦合;转子的静动不平衡会体现为飞轮的多项扰动力和扰动力矩.其次,对这些扰动项进行量级分析,并据此简化系统方程.最后利用数值仿真将简化模型与之前的完整模型作对比,验证了此简化模型的合理性;并通过初步的整星系统仿真,说明了隔振系统对航天器姿态稳定度的改善效果.%To analyze the attenuation effect of vibration isolation platform for reaction wheel (RW) disturbances , the dynamic modeling problem of the combined system which includes an imbalance RW and a passive Stewart platform with kinetic base platform was studied. The precise dynamics formulation was derived. The equations show that there are coupling effects between the RW and the platform, and rotor imbalance can also produce additional coupling disturbances other than tonal disturbances. The magnitudes of these disturbances were investigated and a reduction of the system model was made accordingly. Numerical simulations were conducted to compare the reduced system model to the complete one, which check the validity of the reduced model. And a primary simulation for whole spacecraft system shows that the vibration isolation system could improve the attitude stability effectively.

  15. Dynamic instability of vibrating carbon nanotubes near small layers of graphite sheets based on nonlocal continuum elasticity

    Science.gov (United States)

    Sedighi, H. M.; Yaghootian, A.

    2016-01-01

    This article presents a new asymptotic method to predict dynamic pull-in instability of nonlocal clamped-clamped carbon nanotubes (CNTs) near graphite sheets. Nonlinear governing equations of carbon nanotubes actuated by an electric field are derived. With due allowance for the van der Waals effects, the pull-in instability and the natural frequency-amplitude relationship are investigated by a powerful analytical method, namely, the parameter expansion method. It is demonstrated that retaining two terms in series expansions is sufficient to produce an acceptable solution. The obtained results from numerical methods verify the strength of the analytical procedure. The qualitative analysis of system dynamics shows that the equilibrium points of the autonomous system include center points and unstable saddle points. The phase portraits of the carbon nanotube actuator exhibit periodic and homoclinic orbits.

  16. Three-dimensional quantum dynamics study of vibrational predissociation of HeI2 van der Waals molecule for low vibrational excitation using the time-dependent wave packet method

    Institute of Scientific and Technical Information of China (English)

    关大任; 赵显; 邓从豪; John Z.H.Zhang

    1997-01-01

    Three-dimensional quantum mechanical calculations for vibrational predissociation of HeI2(B) van der Waals molecules are presented using the time-dependent wave packet technique within the golden rule approxima tion.The total and partial decay widths,lifetimes,rates and their dependence on initial vibrational states were obtained for HeI2 at low initial vibrational excited levels.Our calculations show that the calculated tota decay widths,lifetimes and rates agree well with those extrapolated from experimental data available The predicted total decay widths as a function of initial vibrational states exhibit highly nonlinear behavior.The very short propagation time (less.than 1 ps) required in the golden rule wave packet calculation is determined by the duration time of the final state inter-action between the fragments on the vibrationally deexcited adiabatic potential surface.The final state interaction between the fragments is shown to play an important role in determining the final rotational distri

  17. 双质体振动磨动力学建模及参数优化%Dynamic modeling and parametric optimization for a double-mass vibration mill

    Institute of Scientific and Technical Information of China (English)

    贾民平; 周浩; 杨小兰; 刘极峰; 汪震

    2016-01-01

    针对多自由度振动磨系统建模困难以及动力学参数优化设计的需要,根据拉格朗日方程建立双质体振动磨6自由度动力学方程,利用数值分析方法分析了系统的动力学响应,并通过振动测试试验验证了模型的有效性。在振动微分方程的基础上研究了激振器转速对振动磨动力学特性的影响,仿真结果表明在一定范围内,转速越大,振动强度越大,但振动幅值越小。为了使振动磨产生更好的粉磨效果,对激振参数进行优化分析。利用模态分析获得双质体振动磨的固有频率和振型,分别从振动强度和共振频率两个角度确定系统激振器转速的上下限,得到转速的最佳取值范围。在实验室振动磨样机上进行参数优化后的粉磨试验,实验结果表明,改进后的振动磨机金刚石粉体产品 d50达到0.27μm,较之前有所细化,验证了参数优化具有一定的工程效果,为振动磨超微粉碎的动力学设计和产品开发奠定了基础。%Aiming at the needs of modelling and dynamic parametric optimization design of vibration grinding systems with multi-DOF,the dynamic equations with 6-DOF of a double-mass vibration mill based on Lagrange equation were established.The dynamic response of the double mass vibration mill was analyzed using the numerical analysis method and the model was verrified to be effective with vibration tests.The relationship between the double mass vibration mill's dynamic characters and the rotating speed of its exciter was studied with the help of the established model.It was shown that the larger the rotating speed,the bigger the vibration intensity,but the smaller the vibration amplitude.In order to achieve the better effect of grinding,the excitation parameters were optimized.With the help of modal analysis, the natural frequencies and vibration modal shapes of the system were obtained.The upper limit of the rotating speed was

  18. A 1-channel 3-band wide dynamic range compression chip for vibration transducer of implantable hearing aids.

    Science.gov (United States)

    Kim, Dongwook; Seong, Kiwoong; Kim, Myoungnam; Cho, Jinho; Lee, Jyunghyun

    2014-01-01

    In this paper, a digital audio processing chip which uses a wide dynamic range compression (WDRC) algorithm is designed and implemented for implantable hearing aids system. The designed chip operates at a single voltage of 3.3V and drives a 16 bit parallel input and output at 32 kHz sample. The designed chip has 1-channel 3-band WDRC composed of a FIR filter bank, a level detector, and a compression part. To verify the performance of the designed chip, we measured the frequency separations of bands and compression gain control to reflect the hearing threshold level.

  19. STRUCTURAL PHASE TRANSITION OF ALIPHATIC NYLONS VIEWED FROM THE WAXD/SAXS AND VIBRATIONAL SPECTRAL MEASUREMENTS AND MOLECULAR DYNAMICS CALCULATION

    Institute of Scientific and Technical Information of China (English)

    Kohji Tashiro

    2007-01-01

    The crystalline phase transition of aliphatic nylon 10/10 has been investigated on the basis of the simultaneous measurement of wide-angle and small-angle X-ray scatterings, the infrared spectral measurement and the molecular dynamics calculation. An interpretation of infrared spectra taken for a series of nylon samples and the corresponding model compounds was successfully made, allowing us to assign the infrared bands of the planar-zigzag methylene segments reasonably. As a result the methylene segmental parts of molecular chains were found to experience an order-to-disorder transition in the Brill transition region, where the intermolecular hydrogen bonds are kept alive although the bond strength becomes weaker at higher temperature. The small-angle X-ray scattering data revealed a slight change in lamellar stacking mode in the transition region. The crystal structure has been found to change more remarkably in the temperature region immediately below the melting point, where the conformationally disordered chains experienced drastic rotational and translational motions without any constraints by hydrogen bonds, and the lamellar thickness increased largely along the chain axis. These experimental results were reasonably reproduced by the molecular dynamics calculation performed at the various temperatures.

  20. Adaptive Piezoelectric Absorber for Active Vibration Control

    Directory of Open Access Journals (Sweden)

    Sven Herold

    2016-02-01

    Full Text Available Passive vibration control solutions are often limited to working reliably at one design point. Especially applied to lightweight structures, which tend to have unwanted vibration, active vibration control approaches can outperform passive solutions. To generate dynamic forces in a narrow frequency band, passive single-degree-of-freedom oscillators are frequently used as vibration absorbers and neutralizers. In order to respond to changes in system properties and/or the frequency of excitation forces, in this work, adaptive vibration compensation by a tunable piezoelectric vibration absorber is investigated. A special design containing piezoelectric stack actuators is used to cover a large tuning range for the natural frequency of the adaptive vibration absorber, while also the utilization as an active dynamic inertial mass actuator for active control concepts is possible, which can help to implement a broadband vibration control system. An analytical model is set up to derive general design rules for the system. An absorber prototype is set up and validated experimentally for both use cases of an adaptive vibration absorber and inertial mass actuator. Finally, the adaptive vibration control system is installed and tested with a basic truss structure in the laboratory, using both the possibility to adjust the properties of the absorber and active control.

  1. Low temperature vibrational spectra, lattice dynamics, and phase transitions in some potassium hexahalometallates: K2[XY6] with X=Sn or Te and Y=Cl or Br

    DEFF Research Database (Denmark)

    Chodos, Steven L.; Berg, Rolf W.

    1979-01-01

    This paper deals with the observation and identification of phonon frequencies resulting from the low temperature phase transitions in K2XY6 crystals. By means of a simple lattice dynamical model, the vibrational Raman and IR data available in the literature and obtained here have been analyzed....... The model used is an extension of one previously used to explain the vibronic spectra of several related compounds. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....

  2. Specific features of low-frequency vibrational dynamics and low-temperature heat capacity of double-walled carbon nanotubes

    Science.gov (United States)

    Avramenko, M. V.; Roshal, S. B.

    2016-05-01

    A continuous model has been constructed for low-frequency dynamics of a double-walled carbon nanotube. The formation of the low-frequency part of the phonon spectrum of a double-walled nanotube from phonon spectra of its constituent single-walled nanotubes has been considered in the framework of the proposed approach. The influence of the environment on the phonon spectrum of a single double-walled carbon nanotube has been analyzed. A combined method has been proposed for estimating the coefficients of the van der Waals interaction between the walls of the nanotube from the spectroscopic data and the known values of the elastic moduli of graphite. The low-temperature specific heat has been calculated for doublewalled carbon nanotubes, which in the field of applicability of the model ( T nanotubes forming it.

  3. Characterizing the deformational isomers of bimetallic Ir2(dimen)4(2+) (dimen = 1,8-diisocyano-p-menthane) with vibrational wavepacket dynamics.

    Science.gov (United States)

    Hartsock, Robert W; Zhang, Wenkai; Hill, Michael G; Sabat, Bridgett; Gaffney, Kelly J

    2011-04-14

    We studied the Ir(2)(dimen)(4)(2+) complex with ultrafast transient absorption spectroscopy and density functional theory and concluded that it possesses two singlet ground state isomers in room temperature solution. The molecule can adopt either a paddle wheel or a propeller conformation in solution, where the paddle wheel structure possesses a metal-metal bond of 4.4 Å and a dihedral angle between the quasi-C(4v) planes of 0° and the propeller structure has a metal-metal bond of 3.6 Å and a dihedral angle of 17° when crystallized. Each conformation has a distinct absorption in the visible attributed to a (1)(dσ(z)* → pσ(z)) excitation, with the long eclipsed structure absorbing at 475 nm and the short twisted structure absorbing at 585 nm. We independently pumped at each of these visible transitions to form vibrational wavepackets on the ground and excited state potential energy surfaces, which modulated the ground state bleach and stimulated emission signals, respectively. We found that the ground state wavepacket oscillates with a frequency of 48 cm(-1) when pumping the red peak and 11 cm(-1) when pumping the blue peak. We assign these frequencies to the Ir-Ir symmetric stretch, with the variation in frequency reflecting the variation in metal-metal bond strength in support of our assignment of the blue peak to the longer Ir-Ir bond length conformer and the red peak to the shorter Ir-Ir bond length conformer. When pumping the red peak, we found two modes with frequencies of 80 and 119 cm(-1) in the stimulated emission and only one mode at 75 cm(-1) when pumping the blue peak. We assign the 75-80 cm(-1) frequency to the Ir-Ir stretch and the 119 cm(-1) vibration to the dihedral angle twist in the excited state. The variation in the excited state dynamics does not result from the excitation of different electronic states, but rather from excitation to different Franck-Condon regions of the same electronic excited state potential energy surface. This

  4. Vibration mechanism analysis and dynamic model development of magnetically suspended rigid rotor system%磁悬浮刚性转子系统振动机理分析与动力学建模

    Institute of Scientific and Technical Information of China (English)

    房建成; 张会娟; 刘虎

    2014-01-01

    By the virtue of active magnetic bearing, magnetically suspended inertia actuators can make micro-vibration come true through active vibration control. However, there still exist vibrations with some frequencies in magnetically suspended inertia actuators. Firstly, the vibration mechanism of Magnet Runout is analyzed based on the analysis of rotor unbalance and Sensor Runout, then the dynamic model of the magnetically suspended rigid rotor system composing of three vibration sources is developed and divided into translational motion and torsional motion. The analysis dedicates that rotor unbalance, Magnet Runout and Sensor Runout will arise vibrations through different channels, and that the vibrations include the fundamental frequencies and their harmonics. Lastly, the requirements of active vibration control are proposed for the magnetically suspended rigid rotor system, and are useful for the future research.%磁悬浮惯性执行机构采用磁轴承支承,可通过主动控制实现极微振动,但磁悬浮惯性执行机构仍存在频谱分量丰富的振动。首先在转子动静不平衡和Sensor Runout振动机理分析的基础上,重点分析了Magnet Runout产生振动机理;然后,建立包含多振动源的系统动力学建模,并将整个动力学模型分解为平动和转动子系统,分析表明转子动静不平衡、Sensor Runout和Magnet Runout是通过不同的途径产生振动,不仅产生同频振动还包含倍频振动;最后,提出磁悬浮刚性转子系统主动振动控制的要求,为以后的主动振动控制研究奠定基础。

  5. Characteristics of forced torsional vibration and dynamic load for vehicle multistage planetary transmission%车辆多级行星传动系统强迫扭转振动与动载特性

    Institute of Scientific and Technical Information of China (English)

    蔡仲昌; 刘辉; 项昌乐; 张喜清; 王明正

    2012-01-01

    A model was built for the forced torsional vibration excited by the dynamic torque of the engine in the vehicle multistage planetary transmission using the lumped parameter method,and the differential equations were derived by the Lagrangian equation and solved.The amplitude characteristics of the different parts in the same gear shift were analyzed,and their vibration behaviors were revealed.The vibrations of the planetary gear under different gear shifts were investigated,and the difference between the torsional vibrations of the planetary gear under load state and no-load state were obtained.The fluctuation of the meshing force of the planetary gear and the dynamic load coefficient were calculated,providing a basis for the design and the dynamic analysis of the multistage planetary transmission.%针对某车辆行星传动系统,以发动机动态转矩为激励,采用集中参数法建立纯扭转强迫振动模型,利用拉格朗日方程建立系统微分方程并进行求解。分析了各部件在同一档位的振幅特性,得出不同部件的振动特点。研究了不同档位下行星排的振动,得出行星排在空载与受载时扭振的差异。最后对行星排啮合力波动量和动载荷系数进行计算,为行星传动系统设计和动态分析提供了依据。

  6. Chaotic vortex induced vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, J.; Sheridan, J. [Fluids Laboratory for Aeronautical and Industrial Research (FLAIR), Department of Mechanical and Aerospace Engineering, Monash University, Melbourne, Victoria 3800 (Australia); Leontini, J. S. [Department of Mechanical and Product Design Engineering, Swinburne University of Technology, Hawthorn, Victoria 3122 (Australia); Lo Jacono, D. [Institut de Mécanique des Fluides de Toulouse (IMFT), CNRS, UPS and Université de Toulouse, 31400 Toulouse (France)

    2014-12-15

    This study investigates the nature of the dynamic response of an elastically mounted cylinder immersed in a free stream. A novel method is utilized, where the motion of the body during a free vibration experiment is accurately recorded, and then a second experiment is conducted where the cylinder is externally forced to follow this recorded trajectory. Generally, the flow response during both experiments is identical. However, particular regimes exist where the flow response is significantly different. This is taken as evidence of chaos in these regimes.

  7. Man-Induced Vibrations

    DEFF Research Database (Denmark)

    Jönsson, Jeppe; Hansen, Lars Pilegaard

    1994-01-01

    Human motion can cause various types of periodic or transient dynamic loads. The periodic loads are mainly due to jumping, running, dancing, walking and body rocking. Transient loads primarily result from single impulse loads, such as jumping and falling from elevated positions. The response...... concerned with spectator-induced vertical vibrations on grandstands. The idea is to use impulse response analysis and base the load description on the load impulse. If the method is feasable, it could be used in connection with the formulation of requirements in building codes. During the last two decades...

  8. Vibration signature analysis of multistage gear transmission

    Science.gov (United States)

    Choy, F. K.; Tu, Y. K.; Savage, M.; Townsend, D. P.

    1989-01-01

    An analysis is presented for multistage multimesh gear transmission systems. The analysis predicts the overall system dynamics and the transmissibility to the gear box or the enclosed structure. The modal synthesis approach of the analysis treats the uncoupled lateral/torsional model characteristics of each stage or component independently. The vibration signature analysis evaluates the global dynamics coupling in the system. The method synthesizes the interaction of each modal component or stage with the nonlinear gear mesh dynamics and the modal support geometry characteristics. The analysis simulates transient and steady state vibration events to determine the resulting torque variations, speeds, changes, rotor imbalances, and support gear box motion excitations. A vibration signature analysis examines the overall dynamic characteristics of the system, and the individual model component responses. The gear box vibration analysis also examines the spectral characteristics of the support system.

  9. Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study.

    Science.gov (United States)

    Iwahashi, Takashi; Ishiyama, Tatsuya; Sakai, Yasunari; Morita, Akihiro; Kim, Doseok; Ouchi, Yukio

    2015-10-14

    IR-visible sum-frequency generation (IV-SFG) vibrational spectroscopy and a molecular dynamics (MD) simulation were used to study the local layering order at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6), a room-temperature ionic liquid (RTIL). The presence of a local non-polar layer at the interface of the two polar liquids was successfully demonstrated. In the SFG spectra of 1-butanol-d9, we observed significant reduction and enhancement in the strength of the CD3 symmetric stretching (r(+)) mode and the antisymmetric stretching (r(-)) mode peaks, respectively. The results can be well explained by the presence of an oppositely oriented quasi-bilayer structure of butanol molecules, where the bottom layer is strongly bound by hydrogen-bonding with the PF6(-) anion. MD simulations reveal that the hydrogen-bonding of butanol with the PF6(-) anion causes the preferential orientation of the butanols; the restriction on the rotational distribution of the terminal methyl group along their C3 axis enhances the r(-) mode. As for the [bmim](+) cations, the SFG spectra taken within the CH stretch region indicate that the butyl chain of [bmim](+) points away from the bulk RTIL phase to the butanol phase at the interface. Combining the SFG spectroscopy and MD simulation results, we propose an interfacial model structure of layering, in which the butyl chains of the butanol molecules form a non-polar interfacial layer with the butyl chains of the [bmim](+) cations at the interface.

  10. Vibrational Quantum Decoherence in Liquid Water.

    Science.gov (United States)

    Joutsuka, Tatsuya; Thompson, Ward H; Laage, Damien

    2016-02-18

    Traditional descriptions of vibrational energy transfer consider a quantum oscillator interacting with a classical environment. However, a major limitation of this simplified description is the neglect of quantum decoherence induced by the different interactions between two distinct quantum states and their environment, which can strongly affect the predicted energy-transfer rate and vibrational spectra. Here, we use quantum-classical molecular dynamics simulations to determine the vibrational quantum decoherence time for an OH stretch vibration in liquid heavy water. We show that coherence is lost on a sub-100 fs time scale due to the different responses of the first shell neighbors to the ground and excited OH vibrational states. This ultrafast decoherence induces a strong homogeneous contribution to the linear infrared spectrum and suggests that resonant vibrational energy transfer in H2O may be more incoherent than previously thought.

  11. Coherent Ro-vibrational Revivals in a Thermal Molecular Ensemble

    CERN Document Server

    Bitter, Martin; Milner, Valery

    2012-01-01

    We report an experimental and theoretical study of the evolution of vibrational coherence in a thermal ensemble of nitrogen molecules. Rotational dephasing and rephasing of the vibrational coherence is detected by coherent anti-Stokes Raman scattering. The existence of ro-vibrational coupling and the discrete energy spectrum of the rotational bath lead to a whole new class of full and fractional ro-vibrational revivals. Following the rich ro-vibrational dynamics on a nanosecond time scale with sub-picosecond time resolution enables us to determine the second-order ro-vibrational constant $gamma_e$ and assess new possibilities of controlling decoherence.

  12. Optimal active vibration absorber - Design and experimental results

    Science.gov (United States)

    Lee-Glauser, Gina; Juang, Jer-Nan; Sulla, Jeffrey L.

    1993-01-01

    An optimal active vibration absorber can provide guaranteed closed-loop stability and control for large flexible space structures with collocated sensors/actuators. The active vibration absorber is a second-order dynamic system which is designed to suppress any unwanted structural vibration. This can be designed with minimum knowledge of the controlled system. Two methods for optimizing the active vibration absorber parameters are illustrated: minimum resonant amplitude and frequency matched active controllers. The Controls-Structures Interaction Phase-1 Evolutionary Model at NASA LaRC is used to demonstrate the effectiveness of the active vibration absorber for vibration suppression. Performance is compared numerically and experimentally using acceleration feedback.

  13. Optimal active vibration absorber: Design and experimental results

    Science.gov (United States)

    Lee-Glauser, Gina; Juang, Jer-Nan; Sulla, Jeffrey L.

    1992-01-01

    An optimal active vibration absorber can provide guaranteed closed-loop stability and control for large flexible space structures with collocated sensors/actuators. The active vibration absorber is a second-order dynamic system which is designed to suppress any unwanted structural vibration. This can be designed with minimum knowledge of the controlled system. Two methods for optimizing the active vibration absorber parameters are illustrated: minimum resonant amplitude and frequency matched active controllers. The Controls-Structures Interaction Phase-1 Evolutionary Model at NASA LaRC is used to demonstrate the effectiveness of the active vibration absorber for vibration suppression. Performance is compared numerically and experimentally using acceleration feedback.

  14. Torsional Vibration Analysis of an FR Driveline System

    Institute of Scientific and Technical Information of China (English)

    任少云; 朱正礼; 张建武

    2004-01-01

    Towing tractor drivelines are lightly damped non-linear systems. Interactions between components can cause dynamic behavors such as gear gap impact in gear transmissions, shuffle and clonk phenomena in driveline. The torsional vibration of driveline has an important effect on grand engineering vehicle vibration and noise. Through analyzing torsional vibration equations of driveline, torsional vibration model of driveline is developed by using Matlab/Simulink software, Shuffle and clonk phenomena are observed in torsional vibration. The modeling method of analysizing driveline torsional vibration can be used to research and improve similar engineering vehicle driveline behavors.

  15. Reliability Analysis of Random Vibration Transmission Path Systems

    Directory of Open Access Journals (Sweden)

    Wei Zhao

    2017-01-01

    Full Text Available The vibration transmission path systems are generally composed of the vibration source, the vibration transfer path, and the vibration receiving structure. The transfer path is the medium of the vibration transmission. Moreover, the randomness of transfer path influences the transfer reliability greatly. In this paper, based on the matrix calculus, the generalized second moment technique, and the stochastic finite element theory, the effective approach for the transfer reliability of vibration transfer path systems was provided. The transfer reliability of vibration transfer path system with uncertain path parameters including path mass and path stiffness was analyzed theoretically and computed numerically, and the correlated mathematical expressions were derived. Thus, it provides the theoretical foundation for the dynamic design of vibration systems in practical project, so that most random path parameters can be considered to solve the random problems for vibration transfer path systems, which can avoid the system resonance failure.

  16. Passive and Active Vibration Control of Renewable Energy Structures

    OpenAIRE

    Zhang, Zili

    2015-01-01

    The present thesis deals with fundamental researches on passive and active vibration control of renewable energy structures, and provides useful models for practical applications. Effective and robust vibration control methods have been explored for mitigating the lightly damped edgewise blade vibration and lateral tower vibration, with the main focus on structural control devices. Rigorous theoretical modeling of different dynamic system has been established, based on which detailed design a...

  17. Evidence of Ultrafast Charge Transfer Driven by Coherent Lattice Vibrations.

    Science.gov (United States)

    Rury, Aaron S; Sorenson, Shayne A; Dawlaty, Jahan M

    2017-01-05

    We report evidence that intermolecular vibrations coherently drive charge transfer between the sites of a material on ultrafast time scales. Following a nonresonant stimulated Raman pump pulse that excites the organic material quinhydrone, we observe the initial appearance of oscillations due to intermolecular lattice vibrations and then the delayed appearance of a higher-frequency oscillation that we assign to a totally symmetric intramolecular vibration. We use the coherent dynamics of the transient reflectivity signal to propose that coherence transfer drives excitation of this intramolecular vibration. Furthermore, we conclude that the dynamical frequency shift of the intramolecular vibration reports the formation of a quasi-stable charge-separated state on ultrafast time scales. We calculate model dynamics using the extended Hubbard Hamiltonian to explain coherence transfer due to vibrationally driven charge transfer. These results demonstrate that the coherent excitation of low-frequency vibrations can drive charge transfer in the solid state and control material properties.

  18. Gear Noise and Vibration : A Literature Survey

    OpenAIRE

    Åkerblom, Mats

    2001-01-01

    This paper is a survey of the literature on gear noise and vibration. It is divided into three parts, “Transmission error”, “Dynamic models” and “Noise and vibration measurement”. Transmission error (TE) is considered to be an important excitation mechanism for gear noise and vibration. The definition of transmission error is “The difference between the actual position of the output gear and the position it would occupy if the gear drive were perfectly conjugate”. Dynamic models of the system...

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

    Science.gov (United States)

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

    2017-06-01

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

  20. Vibrational dynamics of 3D granular media composed with polyhedral grains -- Din\\'amica vibracional de un medio granular 3D compuesto de part\\'iculas poli\\'edricas

    CERN Document Server

    Azema, Émilien; Peyroux, R; Dubois, Frédéric; Saussine, G

    2008-01-01

    By means of tree-dimensional contact dynamics simulations, we analyze the vibrational dynamics of a confined granular layer in response to harmonic forcing. The sample is composed of polyedric grains with a shape derived from digitalized ballast. The system involves a jammed state separating passive (loading) and active (unloading) states. We show that an approximate expression of the packing resistance force as a function of the displacement of the free retaining wall from the jamming position provides a good description of the dynamics. We study in detail the scaling of displacements and velocities with loading parameters. In particular, we find that, for a wide range of frequencies, the data collapse by scaling the displacements with the inverse square of frequency, the inverse of the force amplitude and the square of gravity. We show that the mean compaction rate increases linearly with frequency up to a characteristic frequency of 10 Hz and then it declines in inverse proportion to frequency.

  1. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

    CERN Document Server

    Reddy, Sandeep K; Bajaj, Pushp; Pham, C Huy; Riera, Marc; Moberg, Daniel R; Morales, Miguel A; Knight, Chris; Gotz, Andreas W; Paesani, Francesco

    2016-01-01

    The MB-pol many-body potential has recently emerged as an accurate molecular model for water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol is systematically assessed across the three phases of water through extensive comparisons with experimental data and high-level ab initio calculations. Individual many-body contributions to the interaction energies as well as vibrational spectra of water clusters calculated with MB-pol are in excellent agreement with reference data obtained at the coupled cluster level. Several structural, thermodynamic, and dynamical properties of the liquid phase at atmospheric pressure are investigated through classical molecular dynamics simulations as a function of temperature. The structural properties of the liquid phase are in nearly quantitative agreement with X-ray diffraction data available over the temperature range from 268 to 368 K. The analysis of other thermodynamic and dynamical quantities emphasizes the importance of explicitly inc...

  2. Vibration analysis of atomising discs

    Energy Technology Data Exchange (ETDEWEB)

    Deng, H; Ouyang, H, E-mail: H.Ouyang@liverpool.ac.u [Department of Engineering, University of Liverpool, Liverpool L69 3GH (United Kingdom)

    2009-08-01

    The centrifugal atomisation of metallic melts using a spinning disc is an important process for powder production and spray deposition. In the manufacturing process the high-temperature melt flows down to the surface of the atomising disc spinning at very high speed. It is observed that there is a hydraulic jump of the melt flow prior to atomisation. In this paper, the dynamic model of the atomising disc as a spinning Kirchhoff plate with this hydraulic jump is established. The flowing melt is modelled as moving mass and weight force in the radial direction. Using a Galerkin method, it is found that the vibration properties of the atomising disc vary with the disc clamping ratio. The amplitude of the vibration is largely raised when the clamping ratio is smaller than the critical jump radius ratio. It is also found that the disc vibration is non-stationary before becoming steady and the amplitude decreases with increasing disc speed.

  3. Experimental Research on Dynamic Characteristics and Coupled Vibration of a Maglev Train System%磁浮列车系统动力特性及耦合振动试验研究

    Institute of Scientific and Technical Information of China (English)

    唐怀平; 高芳清

    2001-01-01

    In this paper, the results of dynamic test conducted on a scaledmodel of a maglev train system are presented. The resonant characteristics of the sub-structures of the maglev train system, the structural dynamic responses at levitated and running state, coherence of the levitated train body, the variation of the air gaps between the magnets and tracks, and the coupled vibration of the sub-structures are analyzed. Some methods to lower and control the structural dynamic responses and the coupled vibration of maglev systems are put worword%结合比例模型的动力试验,系统地描述了磁浮列车系统各子结构的自振特性,在悬浮和行驶状态下结构动态响应,悬浮模块之间的相关特性以及气隙变化,对系统各子结构的耦合振动问题及其起因进行分析,并对如何减小结构响应、控制耦合振动提出解决方法。

  4. Influence of dynamic stiffness of primary suspension on vehicle-track coupled vibration%一系螺旋弹簧动刚度对车辆-轨道耦合振动影响分析

    Institute of Scientific and Technical Information of China (English)

    孙文静; 宫岛; 周劲松; 李卓

    2015-01-01

    The dynamic model of helical spring in axle box of primary suspension,which can be solved by using dynamic stiffness matrix method,was established to get its dynamic stiffness for studying the effect of waves propagating in helical spring on the vibration isolation performance of primary suspension.Then,the dynamic stiffness characteristics were introduced into the vehicle-track coupled dynamic model which was then solved with Green's function method for comparing the dynamic performances between the models with constant stiffness and dynamic stiffness.The results show that the frequency-dependent stiffness can be calculated efficiently with the dynamic stiffness matrix method and the spring stiffness has a thousand-flod dramatic change at the frequency higher than the first modal frequency.This conclusion was verified with the finite element method.This change led to high vibration displacement transmission rate from wheel to bogie at high frequencies,it was shown that it is nearly equal to 1,while the tramission rate from wheel to car body is about 10 -3 .There are lots of vibration peaks at high frequencies on car body and bogie in vehicle-track coupled dynamic simulation,which are much stronger than those on wheel or rail;the vehicle model including dynamic stiffness of primary suspension spring is more realistic;in order to reduce vehicle vibration,the modal frequency of spring should be raised and the varying of dynamic stiffness amplitude should be as small as possible.%建立准确表征一系悬挂轴箱螺旋弹簧波动特性的力学模型,运用动刚度矩阵法求解,研究其对悬挂系统隔振性能影响。结合基于格林函数法的车辆-轨道耦合动力学模型,引入弹簧刚度频变特性,对比分析考虑一系螺旋弹簧频变刚度前后车辆动力学性能之间的差异。结果表明,动刚度矩阵法可以精确求解螺旋弹簧随频率变化的动刚度特性,在一阶模态振动

  5. Robust Control of Machine-Tool Vibration in a Lathe

    OpenAIRE

    Claesson, Ingvar; Håkansson, Lars; Lagö, Thomas L.

    1999-01-01

    In the turning operation the relative dynamic motion between cutting tool and workpiece, or vibration, is a frequent problem, which affects the result of the machining, and, in particular, the surface finish. Tool life is also influenced by vibration. Severe acoustic noise in the working environment frequently occurs as a result of dynamic motion between the cutting tool and the workpiece. These problems can be reduced substantially by active control of the machine-tool vibration. Adaptive fe...

  6. Influence of water on anharmonicity, stability, and vibrational energy distribution of hydrogen-bonded adducts in atmospheric reactions: case study of the OH + isoprene reaction intermediate using ab initio molecular dynamics.

    Science.gov (United States)

    Dietrick, Scott M; Pacheco, Alexander B; Phatak, Prasad; Stevens, Philip S; Iyengar, Srinivasan S

    2012-01-12

    The effect of water on the stability and vibrational states of a hydroxy-isoprene adduct is probed through the introduction of 1-15 water molecules. It is found that when a static nuclear harmonic approximation is invoked there is a substantial red-shift of the alcohol O-H stretch (of the order of 800 cm(-1)) as a result of introduction of water. When potential energy surface sampling and associated anharmonicities are introduced through finite temperature ab initio dynamics, this hydroxy-isoprene OH stretch strongly couples with all the water vibrational modes as well as the hydroxy-isoprene OH bend modes. A new computational technique is introduced to probe the coupling between these modes. The method involves a two-dimensional, time-frequency analysis of the finite temperature vibrational properties. Such an analysis not only provides information about the modes that are coupled as a result of finite-temperature analysis, but also the temporal evolution of such coupling.

  7. 基于动力吸振理论的车辆ISD悬架设计与性能分析%Design and Performances Analysis of Vehicle ISD Suspension Based on Dynamic Vibration Absorber Theory

    Institute of Scientific and Technical Information of China (English)

    杨晓峰; 沈钰杰; 陈龙; 汪若尘; 孙晓强

    2014-01-01

    ISD( inerter-spring-damper)悬架是由惯容器、弹簧和阻尼器构成的一种新型车辆被动悬架。本文中基于动力吸振器在振动控制中的作用,利用惯容器动力学特性,建立了ISD悬架的单轮模型,设计出含有动力吸振器结构的ISD悬架,并对其进行仿真,用多目标遗传算法确定元件参数,分析ISD悬架的主频率特性和各性能指标(车身加速度、悬架动行程和轮胎动载荷)的振动传递特性。仿真结果表明,在0~15Hz低频段,与等刚度的传统被动悬架相比,ISD悬架改善了各性能指标的振动传递幅频特性,降低了各性能指标在共振频率1Hz附近的功率谱密度峰值。%Inerter-spring-damper( ISD) suspension is a new type of vehicle passive suspension, consisting of inerter, spring and damper. In this paper, based on the role of dynamic vibration absorber( DVA) in vibration con-trol, and by utilizing the dynamic characteristics of inerter, a single wheel model for ISD suspension is built and an ISD suspension incorporating the structure of DVA is designed. Then a simulation on ISD suspension is conducted, in which the parameters of its components are determined with multi-objective genetic algorithm, and its main fre-quency characteristics and the vibration transmission characteristics for all three performance indicators( vehicle body acceleration, suspension dynamic travel and dynamic tire load) are analyzed. Simulation results show that compared with traditional passive suspension with same stiffness, the amplitude-frequency characteristics of vibration transmis-sion for all suspension performance indicators are improved at low frequency range of 0 ~15Hz, and the peaks of power spectral density for all performance indicators are reduced effectively at resonance frequency near 1Hz.

  8. The modelling of industrial robot manipulator vibration

    Energy Technology Data Exchange (ETDEWEB)

    Marcham, L.J.; Rao, B.K.N.; Noroozi, S.; Penson, R.P. [Southampton Inst. (United Kingdom). Systems Engineering Research Centre

    1996-11-01

    The work reported in this paper addresses the modelling of robot manipulator vibration, with the specific aim of producing a model suitable to be employed within an active compensation controller. An overview of existing work on the modelling of robot dynamics, both mathematically and empirically, is reported. A model of the dynamics of an industrial manipulator, inclusive of vibration, derived using Lagrangian mechanics is presented and further developed through the application of experimental modal analysis, by which the position dependent modal parameters of an industrial robot manipulator are determined. The model results are compared with experimental vibration data taken from the end-effector of a PUMA562C industrial manipulator using laser interferometry. Control of an end-effector located, active compensator for vibration suppression, based upon the derived model is discussed and recommendations which form the basis of further investigations, currently being undertaken, are presented.

  9. Mechanical Vibrations of Thermally Actuated Silicon Membranes

    Directory of Open Access Journals (Sweden)

    Lynn Fuller

    2012-03-01

    Full Text Available A thermally-actuated micro-electro-mechanical (MEMS device based on a vibrating silicon membrane has been proposed as a viscosity sensor by the authors. In this paper we analyze the vibration mode of the sensor as it vibrates freely at its natural frequency. Analytical examination is compared to finite element analysis, electrical measurements and the results obtained through real-time dynamic optical surface profilometry. The vertical movement of the membrane due to the applied heat is characterized statically and dynamically. The natural vibration mode is determined to be the (1,1 mode and good correlation is found between the analytical predictions, the simulation analysis, the observed mechanical displacement and the electrical measurements.

  10. Granular avalanches down inclined and vibrated planes

    Science.gov (United States)

    Gaudel, Naïma; Kiesgen de Richter, Sébastien; Louvet, Nicolas; Jenny, Mathieu; Skali-Lami, Salaheddine

    2016-09-01

    In this article, we study granular avalanches when external mechanical vibrations are applied. We identify conditions of flow arrest and compare with the ones classically observed for nonvibrating granular flows down inclines [Phys. Fluids 11, 542 (1999), 10.1063/1.869928]. We propose an empirical law to describe the thickness of the deposits with the inclination angle and the vibration intensity. The link between the surface velocity and the depth of the flow highlights a competition between gravity and vibrations induced flows. We identify two distinct regimes: (a) gravity-driven flows at large angles where vibrations do not modify dynamical properties but the deposits (scaling laws in this regime are in agreement with the literature for nonvibrating granular flows) and (b) vibrations-driven flows at small angles where no flow is possible without applied vibrations (in this last regime, the flow behavior can be properly described by a vibration induced activated process). We show, in this study, that granular flows down inclined planes can be finely tuned by external mechanical vibrations.

  11. 用变步长法研究电力机车蛇形振动%Dynamic Analysis of the Locomotive Crawl Vibration

    Institute of Scientific and Technical Information of China (English)

    邵建敏; 刘建秀

    2001-01-01

    Suppose we view a locomotive as a whole system,the space configuration of each locomotive is described by a 17-freedomed in horizon surface.Taking into account the elastic supporting of first and second system,hanging equipment and resistance characteristic,a space vibration model of four-axis bogie vehicle crawl vibration is presented.The characteristic root of the model is calculated.The stability of vehicle crawl vibration and critical velocity is researched.The result is that increasing vertical and horizontal stiffness and resistance of every wheel can decrease crawl vibration of bogies and carriages.And the optimization parameters are given.The improvements lie in using electromagnetic or crawl vibration absorber to replace hydraulic pressure vibration one and using awl spring to replace old pillar one.%将机车作为一个整体系统,用17个自由度描述机车在一般情况下横向平面的空间位置.考虑到一系、二系悬挂装置的弹性支承以及减振器的阻尼特性,建立了四轴转向架式车辆蛇形运动力学模型,列出运动微分方程.用变步长法求出的特征值研究车辆蛇形运动稳定性及机车临界速度,结论为:增大轮对的横向及纵向刚度和阻尼,可以减小转向架和车体的蛇形运动.得出了合理的优化参数,并提出了改进措施:将液压减振器改为电磁液压减振器或蛇形减振器,用锥式弹簧代替原来的柱式弹簧.

  12. Random torsional vibration in automobile transmissions

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The action of a road profile to the torsional vibrations in automobile transmissions is studied. The model to calculate the random torsional vibrations in the transmissions is proposed and the values of the model parameters are determined by both computation and experiment. Furthermore, the dynamic characteristics and the responses of automobile transmissions to the random excitation of road profile are calculated. The results of road experiment demonstrate that the theoretic analyses and the calculation are correct, which imply that the low frequency torsional vibrations in automobile transmissions are caused by the random excitation of a road profile.

  13. Material Model Research on Rubber Vibration Isolators

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A viscohyperelastic constitutive model is proposed to describe the mechanical behaviour of vibration isolation rubber under broad-band vibration. This constitutive model comprises two parts: a component with three parameters to characterize the hyperelastic static properties of rubber materials,and the other component incorporating two relaxation time parameters, corresponding to high and low strain rates, respectively, to describe the dynamic response under vibration and impact loadings. Based on this proposed constitutive model, a series of experiments were performed on two types of rubber materials over a wide strain rate range. The results predicted from this model are in good agreement with the experimental data.

  14. Inelastic surface vibrations versus energy-dependent nucleus–nucleus potential in sub-barrier fusion dynamics of $^{6}_{3}$ Li + $^{144} -{62}$Sm system

    Indian Academy of Sciences (India)

    GAUTAM MANJEET SINGH

    2016-05-01

    Limitations of the static Woods–Saxon potential and the applicability of the energy dependent Woods–Saxon potential (EDWSP) model within the framework of one-dimensional Wong formula to explore the sub-barrier fusion data are highlighted. The inelastic surface excitations of the fusing nuclei are found to be dominating in the enhancement of sub-barrier fusion excitation function data and the effects of such dominant vibrational states are exploited through the coupled channel calculations obtained by using the code CCFULL. It is worth mentioning here that the influence of multiphonon vibrational states of the reactants can be simulated by introducing the energy dependence in the nucleus–nucleus potential.

  15. Prediction of Ground Vibration from Freight Trains

    Science.gov (United States)

    Jones, C. J. C.; Block, J. R.

    1996-05-01

    Heavy freight trains emit ground vibration with predominant frequency components in the range 4-30 Hz. If the amplitude is sufficient, this may be felt by lineside residents, giving rise to disturbance and concern over possible damage to their property. In order to establish the influence of parameters of the track and rolling stock and thereby enable the design of a low vibration railway, a theoretical model of both the generation and propagation of vibration is required. The vibration is generated as a combination of the effects of dynamic forces, due to the unevenness of the track, and the effects of the track deformation under successive axle loads. A prediction scheme, which combines these effects, has been produced. A vehicle model is used to predict the dynamic forces at the wheels. This includes the non-linear effects of friction damped suspensions. The loaded track profile is measured by using a track recording coach. The dynamic loading and the effects of the moving axles are combined in a track response model. The predicted track vibration is compared to measurements. The transfer functions from the track to a point in the ground can be calculated by using a coupled track and a three-dimensional layered ground model. The propagation effects of the ground layers are important but the computation of the transfer function from each sleeper, which would be required for a phase coherent summation of the vibration in the ground, would be prohibitive. A compromise summation is used and results are compared with measurements.

  16. Transversal vibrations of double-plate systems

    Institute of Scientific and Technical Information of China (English)

    Katica(Stevanovi(c)) Hedrih

    2006-01-01

    This paper presents an analytical and numerical analysis of free and forced transversal vibrations of an elastically connected double-plate system. Analytical solutions of a system of coupled partial differential equations, which describe corresponding dynamical free and forced processes, are obtained using Bernoulli's particular integral and Lagrange's method of variation constants. It is shown that one-mode vibrations correspond to two-frequency regime for free vibrations induced by initial conditions and to three-frequency regime for forced vibrations induced by one-frequency external excitation and corresponding initial conditions. The analytical solutions show that the elastic connection between plates leads to the appearance of twofrequency regime of time function, which corresponds to one eigenamplitude function of one mode, and also that the time functions of different vibration modes are uncoupled, for each shape of vibrations. It has been proven that for both elastically connected plates, for every pair of m and n. two possibilities for appearance of the resonance dynamical states, as well as for appearance of the dynamical absorption, are present. Using the MathCad program, the corresponding visualizations of the characteristic forms of the plate middle surfaces through time are presented.

  17. Vibration reduction in electric bus during acceleration and gear shifting

    Directory of Open Access Journals (Sweden)

    Jia-Shiun Chen

    2015-03-01

    Full Text Available Electric vehicles have replaced many gasoline vehicles in urban environments. The magnitude of vibrations and emissions from electric vehicles are less than those from conventional gasoline-powered vehicles. However, electric vehicles still have mechanical vibrations, such as those created by the power system. During vehicle acceleration, driveline vibration is very prominent. This work focuses on vehicle vibration caused by the electric powertrain in electric vehicles under rapid acceleration/deceleration and gear shifting. Since the dynamic response of an electric motor is rapid, driving torsional vibration arising from acceleration/deceleration and gear shifting is typically transmitted from driveline to vehicle’s body, adversely affecting a driver’s comfort. This work presents a novel effective control logic that reduces vibrations from an electric driveline system. This system controls the electric motor to suppress driveline torsional vibration transmitted to the driver’s seat, effectively reducing vertical vibrations and enhancing driver comfort. This work conducts simulations and hardware tests. In the development of the driveline and motor control logic, Adaptive Modeling Environment for Simulation analytical software is applied to create the driveline system model. To model structural vibrations, HyperMesh is used, and LS DYNA is applied to simulate free vibration and forced vibration. The analytical results for free vibration are compared with empirical data. The analytical results for driveline dynamics are applied as input for the finite element model to analyze forced vibration. Vibrations from the electric driveline move through the motor mount and frame to the driver’s seat track. The simulation results demonstrate this control logic strategy applied to an electric bus motor controller effectively reduces fluctuation in driveline torque during acceleration by up to 84.19% and during gear shifting by up to 44.96%. The

  18. Portable vibration exciter

    Science.gov (United States)

    Beecher, L. C.; Williams, F. T.

    1970-01-01

    Gas-driven vibration exciter produces a sinusoidal excitation function controllable in frequency and in amplitude. It allows direct vibration testing of components under normal loads, removing the possibility of component damage due to high static pressure.

  19. Control System Damps Vibrations

    Science.gov (United States)

    Kopf, E. H., Jr.; Brown, T. K.; Marsh, E. L.

    1983-01-01

    New control system damps vibrations in rotating equipment with help of phase-locked-loop techniques. Vibrational modes are controlled by applying suitable currents to drive motor. Control signals are derived from sensors mounted on equipment.

  20. Surveying techniques in vibration measurement

    Directory of Open Access Journals (Sweden)

    Kuras Przemyslaw

    2015-01-01

    Full Text Available In order to determine the actual dynamic characteristics of engineering structures, it is necessary to perform direct measurements. The paper focuses on the problem of using various devices to measure vibration, with particular emphasis on surveying instruments. The main tool used in this study is the radar interferometer, which has been compared to: robotic total station, GNSS receivers and sensors (accelerometer and encoder. The results of four dynamic experiments are presented. They were performed on: industrial chimney, drilling tower, railway bridge and pedestrian footbridge. The obtained results have been discussed in terms of the requirements imposed by the standard ISO 4866:2010.