Sample records for model coupling vibrational

  1. Study on the Vehicle Dynamic Load Considering the Vehicle-Pavement Coupled Effect

    NASA Astrophysics Data System (ADS)

    Xu, H. L.; He, L.; An, D.

    2017-11-01

    The vibration of vehicle-pavement interaction system is sophisticated random vibration process and the vehicle-pavement coupled effect was not considered in the previous study. A new linear elastic model of the vehicle-pavement coupled system was established in the paper. The new model was verified with field measurement which could reflect the real vibration between vehicle and pavement. Using the new model, the study on the vehicle dynamic load considering the vehicle-pavement coupled effect showed that random forces (centralization) between vehicle and pavement were influenced largely by vehicle-pavement coupled effect. Numerical calculation indicated that the maximum of random forces in coupled model was 2.4 times than that in uncoupled model. Inquiring the reason, it was found that the main vibration frequency of the vehicle non-suspension system was similar with that of the vehicle suspension system in the coupled model and the resonance vibration lead to vehicle dynamic load increase significantly.

  2. Modal simulation of gearbox vibration with experimental correlation

    NASA Technical Reports Server (NTRS)

    Choy, Fred K.; Ruan, Yeefeng F.; Zakrajsek, James J.; Oswald, Fred B.

    1992-01-01

    A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predictions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

  3. An electromechanical coupling model of a bending vibration type piezoelectric ultrasonic transducer.

    PubMed

    Zhang, Qiang; Shi, Shengjun; Chen, Weishan

    2016-03-01

    An electromechanical coupling model of a bending vibration type piezoelectric ultrasonic transducer is proposed. The transducer is a Langevin type transducer which is composed of an exponential horn, four groups of PZT ceramics and a back beam. The exponential horn can focus the vibration energy, and can enlarge vibration amplitude and velocity efficiently. A bending vibration model of the transducer is first constructed, and subsequently an electromechanical coupling model is constructed based on the vibration model. In order to obtain the most suitable excitation position of the PZT ceramics, the effective electromechanical coupling coefficient is optimized by means of the quadratic interpolation method. When the effective electromechanical coupling coefficient reaches the peak value of 42.59%, the optimal excitation position (L1=22.52 mm) is found. The FEM method and the experimental method are used to validate the developed analytical model. Two groups of the FEM model (the Group A center bolt is not considered, and but the Group B center bolt is considered) are constructed and separately compared with the analytical model and the experimental model. Four prototype transducers around the peak value are fabricated and tested to validate the analytical model. A scanning laser Doppler vibrometer is employed to test the bending vibration shape and resonance frequency. Finally, the electromechanical coupling coefficient is tested indirectly through an impedance analyzer. Comparisons of the analytical results, FEM results and experiment results are presented, and the results show good agreement. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Direct simulation with vibration-dissociation coupling

    NASA Technical Reports Server (NTRS)

    Hash, David B.; Hassan, H. A.

    1992-01-01

    The majority of implementations of the Direct Simulation Monte Carlo (DSMC) method of Bird do not account for vibration-dissociation coupling. Haas and Boyd have proposed the vibrationally-favored dissociation model to accomplish this task. This model requires measurements of induction distance to determine model constants. A more general expression has been derived that does not require any experimental input. The model is used to calculate one-dimensional shock waves in nitrogen and the flow past a lunar transfer vehicle (LTV). For the conditions considered in the simulation, the influence of vibration-dissociation coupling on heat transfer in the stagnation region of the LTV can be significant.

  5. Diesel engine torsional vibration control coupling with speed control system

    NASA Astrophysics Data System (ADS)

    Guo, Yibin; Li, Wanyou; Yu, Shuwen; Han, Xiao; Yuan, Yunbo; Wang, Zhipeng; Ma, Xiuzhen

    2017-09-01

    The coupling problems between shafting torsional vibration and speed control system of diesel engine are very common. Neglecting the coupling problems sometimes lead to serious oscillation and vibration during the operation of engines. For example, during the propulsion shafting operation of a diesel engine, the oscillation of engine speed and the severe vibration of gear box occur which cause the engine is unable to operate. To find the cause of the malfunctions, a simulation model coupling the speed control system with the torsional vibration of deformable shafting is proposed and investigated. In the coupling model, the shafting is simplified to be a deformable one which consists of several inertias and shaft sections and with characteristics of torsional vibration. The results of instantaneous rotation speed from this proposed model agree with the test results very well and are successful in reflecting the real oscillation state of the engine operation. Furthermore, using the proposed model, the speed control parameters can be tuned up to predict the diesel engine a stable and safe running. The results from the tests on the diesel engine with a set of tuned control parameters are consistent with the simulation results very well.

  6. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1994-01-01

    The primary accomplishments of the project were as follows: (1) From an overall standpoint, the primary accomplishment of this research was the development of a complete gasdynamic-radiatively coupled nonequilibrium viscous shock layer solution method for axisymmetric blunt bodies. This method can be used for rapid engineering modeling of nonequilibrium re-entry flowfields over a wide range of conditions. (2) Another significant accomplishment was the development of an air radiation model that included local thermodynamic nonequilibrium (LTNE) phenomena. (3) As part of this research, three electron-electronic energy models were developed. The first was a quasi-equilibrium electron (QEE) model which determined an effective free electron temperature and assumed that the electronic states were in equilibrium with the free electrons. The second was a quasi-equilibrium electron-electronic (QEEE) model which computed an effective electron-electronic temperature. The third model was a full electron-electronic (FEE) differential equation model which included convective, collisional, viscous, conductive, vibrational coupling, and chemical effects on electron-electronic energy. (4) Since vibration-dissociation coupling phenomena as well as vibrational thermal nonequilibrium phenomena are important in the nonequilibrium zone behind a shock front, a vibrational energy and vibration-dissociation coupling model was developed and included in the flowfield model. This model was a modified coupled vibrational dissociation vibrational (MCVDV) model and also included electron-vibrational coupling. (5) Another accomplishment of the project was the usage of the developed models to investigate radiative heating. (6) A multi-component diffusion model which properly models the multi-component nature of diffusion in complex gas mixtures such as air, was developed and incorporated into the blunt body model. (7) A model was developed to predict the magnitude and characteristics of the shock wave precursor ahead of vehicles entering the Earth's atmosphere. (8) Since considerable data exists for radiating nonequilibrium flow behind normal shock waves, a normal shock wave version of the blunt body code was developed. (9) By comparing predictions from the models and codes with available normal shock data and the flight data of Fire II, it is believed that the developed flowfield and nonequilibrium radiation models have been essentially validated for engineering applications.

  7. Direct observation of methyl rotor and vib-rotor states of S0 toluene: a revised torsional barrier due to torsion-vibration coupling.

    PubMed

    Gascooke, Jason R; Virgo, Edwina A; Lawrance, Warren D

    2015-01-14

    We report a two dimensional, laser induced fluorescence study of the lowest 345 cm(-1) region of S0 toluene. Methyl rotor levels of 00 up to m = 6 and of 201 up to m = 4 are observed. The rotor levels of 00 and 201 have quite different energy spacings that are well fit by a model that includes strong torsion-vibration coupling between them. The model requires that the rotor barrier height be revised from -4.84 cm(-1) (methyl hydrogens in a staggered conformation) to +1.57 cm(-1) (eclipsed conformation). However, the 3a2″ state lies below the 3a1″ state as expected for a staggered conformation due to energy shifts associated with the torsion-vibration coupling. It is shown that the rotor wave-functions exhibit little localization at the torsional energy minima. The variation in the m = 0 wavefunction probability distribution with torsional angle is shown to be very similar for the previously accepted negative V6 value and the torsion-vibration coupling model as this coupling shifts the phase of the wavefunction by 30° compared with its phase for V6 alone. The presence of a strong Δυ = ± 1 torsion-vibration coupling involving the lowest frequency vibrational mode provides a potential pathway for rapid intramolecular vibrational energy redistribution at higher energies.

  8. Field Telemetry of Blade-rotor Coupled Torsional Vibration at Matuura Power Station Number 1 Unit

    NASA Technical Reports Server (NTRS)

    Isii, Kuniyoshi; Murakami, Hideaki; Otawara, Yasuhiko; Okabe, Akira

    1991-01-01

    The quasi-modal reduction technique and finite element model (FEM) were used to construct an analytical model for the blade-rotor coupled torsional vibration of a steam turbine generator of the Matuura Power Station. A single rotor test was executed in order to evaluate umbrella vibration characteristics. Based on the single rotor test results and the quasi-modal procedure, the total rotor system was analyzed to predict coupled torsional frequencies. Finally, field measurement of the vibration of the last stage buckets was made, which confirmed that the double synchronous resonance was 124.2 Hz, meaning that the machine can be safely operated. The measured eigen values are very close to the predicted value. The single rotor test and this analytical procedure thus proved to be a valid technique to estimate coupled torsional vibration.

  9. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer

    NASA Astrophysics Data System (ADS)

    Peters, William K.; Tiwari, Vivek; Jonas, David M.

    2017-11-01

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

  10. Nodeless vibrational amplitudes and quantum nonadiabatic dynamics in the nested funnel for a pseudo Jahn-Teller molecule or homodimer.

    PubMed

    Peters, William K; Tiwari, Vivek; Jonas, David M

    2017-11-21

    The nonadiabatic states and dynamics are investigated for a linear vibronic coupling Hamiltonian with a static electronic splitting and weak off-diagonal Jahn-Teller coupling through a single vibration with a vibrational-electronic resonance. With a transformation of the electronic basis, this Hamiltonian is also applicable to the anti-correlated vibration in a symmetric homodimer with marginally strong constant off-diagonal coupling, where the non-adiabatic states and dynamics model electronic excitation energy transfer or self-exchange electron transfer. For parameters modeling a free-base naphthalocyanine, the nonadiabatic couplings are deeply quantum mechanical and depend on wavepacket width; scalar couplings are as important as the derivative couplings that are usually interpreted to depend on vibrational velocity in semiclassical curve crossing or surface hopping theories. A colored visualization scheme that fully characterizes the non-adiabatic states using the exact factorization is developed. The nonadiabatic states in this nested funnel have nodeless vibrational factors with strongly avoided zeroes in their vibrational probability densities. Vibronic dynamics are visualized through the vibrational coordinate dependent density of the time-dependent dipole moment in free induction decay. Vibrational motion is amplified by the nonadiabatic couplings, with asymmetric and anisotropic motions that depend upon the excitation polarization in the molecular frame and can be reversed by a change in polarization. This generates a vibrational quantum beat anisotropy in excess of 2/5. The amplitude of vibrational motion can be larger than that on the uncoupled potentials, and the electronic population transfer is maximized within one vibrational period. Most of these dynamics are missed by the adiabatic approximation, and some electronic and vibrational motions are completely suppressed by the Condon approximation of a coordinate-independent transition dipole between adiabatic states. For all initial conditions investigated, the initial nonadiabatic electronic motion is driven towards the lower adiabatic state, and criteria for this directed motion are discussed.

  11. Vibration-translation energy transfer in vibrationally excited diatomic molecules. Ph.D. Thesis - York Univ., Toronto

    NASA Technical Reports Server (NTRS)

    Mckenzie, R. L.

    1976-01-01

    A semiclassical collision model is applied to the study of energy transfer rates between a vibrationally excited diatomic molecule and a structureless atom. The molecule is modeled as an anharmonic oscillator with a multitude of dynamically coupled vibrational states. Three main aspects in the prediction of vibrational energy transfer rates are considered. The applicability of the semiclassical model to an anharmonic oscillator is first evaluated for collinear encounters. Second, the collinear semiclassical model is applied to obtain numerical predictions of the vibrational energy transfer rate dependence on the initial vibrational state quantum number. Thermally averaged vibration-translation rate coefficients are predicted and compared with CO-He experimental values for both ground and excited initial states. The numerical model is also used as a basis for evaluating several less complete but analytic models. Third, the role of rational motion in the dynamics of vibrational energy transfer is examined. A three-dimensional semiclassical collision model is constructed with coupled rotational motion included. Energy transfer within the molecule is shown to be dominated by vibration-rotation transitions with small changes in angular momentum. The rates of vibrational energy transfer in molecules with rational frequencies that are very small in comparison to their vibrational frequency are shown to be adequately treated by the preceding collinear models.

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

    NASA Astrophysics Data System (ADS)

    Choi, Jun-Ho; Cho, Minhaeng

    2013-05-01

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

  13. The effect of inertial coupling in the dynamics and control of flexible robotic manipulators

    NASA Technical Reports Server (NTRS)

    Tesar, Delbert; Curran, Carol Cockrell; Graves, Philip Lee

    1988-01-01

    A general model of the dynamics of flexible robotic manipulators is presented, including the gross motion of the links, the vibrations of the links and joints, and the dynamic coupling between the gross motions and vibrations. The vibrations in the links may be modeled using lumped parameters, truncated modal summation, a component mode synthesis method, or a mixture of these methods. The local link inertia matrix is derived to obtain the coupling terms between the gross motion of the link and the vibrations of the link. Coupling between the motions of the links results from the kinematic model, which utilizes the method of kinematic influence. The model is used to simulate the dynamics of a flexible space-based robotic manipulator which is attached to a spacecraft, and is free to move with respect to the inertial reference frame. This model may be used to study the dynamic response of the manipulator to the motions of its joints, or to externally applied disturbances.

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

    NASA Astrophysics Data System (ADS)

    Hamm, Peter; Edler, Julian

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

  15. Dynamic modeling and experiments on the coupled vibrations of building and elevator ropes

    NASA Astrophysics Data System (ADS)

    Yang, Dong-Ho; Kim, Ki-Young; Kwak, Moon K.; Lee, Seungjun

    2017-03-01

    This study is concerned with the theoretical modelling and experimental verification of the coupled vibrations of building and elevator ropes. The elevator ropes consist of a main rope which supports the cage and the compensation rope which is connected to the compensation sheave. The elevator rope is a flexible wire with a low damping, so it is prone to vibrations. In the case of a high-rise building, the rope length also increases significantly, so that the fundamental frequency of the elevator rope approaches the fundamental frequency of the building thus increasing the possibility of resonance. In this study, the dynamic model for the analysis of coupled vibrations of building and elevator ropes was derived by using Hamilton's principle, where the cage motion was also considered. An experimental testbed was built to validate the proposed dynamic model. It was found that the experimental results are in good agreement with the theoretical predictions thus validating the proposed dynamic model. The proposed model was then used to predict the vibrations of real building and elevator ropes.

  16. Computational Study of Nonequilibrium Chemistry in High Temperature Flows

    NASA Astrophysics Data System (ADS)

    Doraiswamy, Sriram

    Recent experimental measurements in the reflected shock tunnel CUBRC LENS-I facility raise questions about our ability to correctly model the recombination processes in high enthalpy flows. In the carbon dioxide flow, the computed shock standoff distance over the Mars Science Laboratory (MSL) shape was less than half of the experimental result. For the oxygen flows, both pressure and heat transfer data on the double cone geometry were not correctly predicted. The objective of this work is to investigate possible reasons for these discrepancies. This process involves systematically addressing different factors that could possibly explain the differences. These factors include vibrational modeling, role of electronic states and chemistry-vibrational coupling in high enthalpy flows. A state-specific vibrational model for CO2, CO, O2 and O system is devised by taking into account the first few vibrational states of each species. All vibrational states with energies at or below 1 eV are included in the present work. Of the three modes of vibration in CO2 , the antisymmetric mode is considered separately from the symmetric stretching mode and the doubly degenerate bending modes. The symmetric and the bending modes are grouped together since the energy transfer rates between the two modes are very large due to Fermi resonance. The symmetric and bending modes are assumed to be in equilibrium with the translational and rotational modes. The kinetic rates for the vibrational-translation energy exchange reactions, and the intermolecular and intramolecular vibrational-vibrational energy exchange reactions are based on experimental data to the maximum extent possible. Extrapolation methods are employed when necessary. This vibrational model is then coupled with an axisymmetric computational fluid dynamics code to study the expansion of CO2 in a nozzle. The potential role of low lying electronic states is also investigated. Carbon dioxide has a single excited state just below the dissociation limit. CO and O recombine exclusively to this excited state and then relaxes to the ground electronic state. A simple model is proposed to represent the effect of this intermediate state in the recombination process. Preliminary results show that this excited electronic state is a potential reason for increased shock standoff distance observed in LENS facility. The general role of chemistry-vibrational coupling in modeling recombination dominated flows is also investigated. A state-specific model is developed to analyze the complex chemistry-vibration coupling present in high enthalpy nozzle flows. A basic model is formulated assuming molecules are formed at a specific vibrational level and then allowed to relax through a series of vibration-vibration and vibration-translation processes. This is carried out assuming that the molecules behave as either harmonic or anharmonic oscillators. The results are compared with the standard vibration-chemistry model for high enthalpy nozzle flows. Next, a prior recombination model that accounts for the rotational-vibrational coupling is used to obtain prior recombination distribution. A distribution of recombining states is obtained as a function of the total energy available to the system. The results of this model are compared with recent experiments. Additionally, a reduced model is formulated using the concepts of the state-specific model. The results of this reduced model is compared with the state specific model.

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

    NASA Astrophysics Data System (ADS)

    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. Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex

    NASA Astrophysics Data System (ADS)

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

    2017-09-01

    The multilayer multiconfiguration time-dependent Hartree method is used to study the coupled exciton-vibrational dynamics in a high-dimensional nonameric model of the LH2 antenna complex of purple bacteria. The exciton-vibrational coupling is parametrized within the Huang-Rhys model according to phonon and intramolecular vibrational modes derived from an experimental bacteriochlorophyll spectral density. In contrast to reduced density matrix approaches, the Schrödinger equation is solved explicitly, giving access to the full wave function. This facilitates an unbiased analysis in terms of the coupled dynamics of excitonic and vibrational degrees of freedom. For the present system, we identify spectator modes for the B800 to B800 transfer and we find a non-additive effect of phonon and intramolecular vibrational modes on the B800 to B850 exciton transfer.

  19. Signature of nonadiabatic coupling in excited-state vibrational modes.

    PubMed

    Soler, Miguel A; Nelson, Tammie; Roitberg, Adrian E; Tretiak, Sergei; Fernandez-Alberti, Sebastian

    2014-11-13

    Using analytical excited-state gradients, vibrational normal modes have been calculated at the minimum of the electronic excited-state potential energy surfaces for a set of extended conjugated molecules with different coupling between them. Molecular model systems composed of units of polyphenylene ethynylene (PPE), polyphenylenevinylene (PPV), and naphthacene/pentacene (NP) have been considered. In all cases except the NP model, the influence of the nonadiabatic coupling on the excited-state equilibrium normal modes is revealed as a unique highest frequency adiabatic vibrational mode that overlaps with the coupling vector. This feature is removed by using a locally diabatic representation in which the effect of NA interaction is removed. Comparison of the original adiabatic modes with a set of vibrational modes computed in the locally diabatic representation demonstrates that the effect of nonadiabaticity is confined to only a few modes. This suggests that the nonadiabatic character of a molecular system may be detected spectroscopically by identifying these unique state-specific high frequency vibrational modes.

  20. Global dynamic modeling of a transmission system

    NASA Technical Reports Server (NTRS)

    Choy, F. K.; Qian, W.

    1993-01-01

    The work performed on global dynamic simulation and noise correlation of gear transmission systems at the University of Akron is outlined. The objective is to develop a comprehensive procedure to simulate the dynamics of the gear transmission system coupled with the effects of gear box vibrations. The developed numerical model is benchmarked with results from experimental tests at NASA Lewis Research Center. The modal synthesis approach is used to develop the global transient vibration analysis procedure used in the model. Modal dynamic characteristics of the rotor-gear-bearing system are calculated by the matrix transfer method while those of the gear box are evaluated by the finite element method (NASTRAN). A three-dimensional, axial-lateral coupled bearing model is used to couple the rotor vibrations with the gear box motion. The vibrations between the individual rotor systems are coupled through the nonlinear gear mesh interactions. The global equations of motion are solved in modal coordinates and the transient vibration of the system is evaluated by a variable time-stepping integration scheme. The relationship between housing vibration and resulting noise of the gear transmission system is generated by linear transfer functions using experimental data. A nonlinear relationship of the noise components to the fundamental mesh frequency is developed using the hypercoherence function. The numerically simulated vibrations and predicted noise of the gear transmission system are compared with the experimental results from the gear noise test rig at NASA Lewis Research Center. Results of the comparison indicate that the global dynamic model developed can accurately simulate the dynamics of a gear transmission system.

  1. An efficient model for coupling structural vibrations with acoustic radiation

    NASA Technical Reports Server (NTRS)

    Frendi, Abdelkader; Maestrello, Lucio; Ting, LU

    1993-01-01

    The scattering of an incident wave by a flexible panel is studied. The panel vibration is governed by the nonlinear plate equations while the loading on the panel, which is the pressure difference across the panel, depends on the reflected and transmitted waves. Two models are used to calculate this structural-acoustic interaction problem. One solves the three dimensional nonlinear Euler equations for the flow-field coupled with the plate equations (the fully coupled model). The second uses the linear wave equation for the acoustic field and expresses the load as a double integral involving the panel oscillation (the decoupled model). The panel oscillation governed by a system of integro-differential equations is solved numerically and the acoustic field is then defined by an explicit formula. Numerical results are obtained using the two models for linear and nonlinear panel vibrations. The predictions given by these two models are in good agreement but the computational time needed for the 'fully coupled model' is 60 times longer than that for 'the decoupled model'.

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

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2018-03-01

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

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

    NASA Astrophysics Data System (ADS)

    Bank, Balázs; Sujbert, László

    2005-04-01

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

  5. Investigation of the torsional stiffness of flexible disc coupling

    NASA Astrophysics Data System (ADS)

    Buryy, A.; Simonovsky, V.; Obolonik, V.

    2017-08-01

    Calculation of flexible coupling torsional stiffness is required when analyzing the torsional vibrations of the reciprocating machinery train. While having the lowest torsional stiffness of all the elements of the train, flexible coupling has a significant influence on the natural frequencies of torsional vibration. However, considering structural complexity of coupling, precise definition of its torsional stiffness is quite a difficult task. The paper presents a method for calculating the torsional stiffness of flexible disc coupling based on the study of its finite element model response under the action of torque. The analysis of the basic parameters that quantitatively and qualitatively affect the coupling torsional stiffness has been also provided. The results of the calculation as well as model adequacy, sufficient for practical application, have been confirmed at the experimental measurement of flexible disc coupling torsional stiffness. The obtained elastic characteristics (dependences of applied torque and torsional stiffness versus twist angle) are nonlinear in the initial stage of loading. This feature should be taken into account when creating reliable mathematical models of torsional vibrations of reciprocating machinery trains containing flexible disc couplings.

  6. Mode-selective vibrational modulation of charge transport in organic electronic devices

    PubMed Central

    Bakulin, Artem A.; Lovrincic, Robert; Yu, Xi; Selig, Oleg; Bakker, Huib J.; Rezus, Yves L. A.; Nayak, Pabitra K.; Fonari, Alexandr; Coropceanu, Veaceslav; Brédas, Jean-Luc; Cahen, David

    2015-01-01

    The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500–1,700 cm−1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron–phonon coupling and charge dynamics in (bio)molecular materials. PMID:26246039

  7. Mode-selective vibrational modulation of charge transport in organic electronic devices

    NASA Astrophysics Data System (ADS)

    Bakulin, Artem A.; Lovrincic, Robert; Yu, Xi; Selig, Oleg; Bakker, Huib J.; Rezus, Yves L. A.; Nayak, Pabitra K.; Fonari, Alexandr; Coropceanu, Veaceslav; Brédas, Jean-Luc; Cahen, David

    2015-08-01

    The soft character of organic materials leads to strong coupling between molecular, nuclear and electronic dynamics. This coupling opens the way to influence charge transport in organic electronic devices by exciting molecular vibrational motions. However, despite encouraging theoretical predictions, experimental realization of such approach has remained elusive. Here we demonstrate experimentally that photoconductivity in a model organic optoelectronic device can be modulated by the selective excitation of molecular vibrations. Using an ultrafast infrared laser source to create a coherent superposition of vibrational motions in a pentacene/C60 photoresistor, we observe that excitation of certain modes in the 1,500-1,700 cm-1 region leads to photocurrent enhancement. Excited vibrations affect predominantly trapped carriers. The effect depends on the nature of the vibration and its mode-specific character can be well described by the vibrational modulation of intermolecular electronic couplings. This presents a new tool for studying electron-phonon coupling and charge dynamics in (bio)molecular materials.

  8. Coupled rotor/airframe vibration analysis

    NASA Technical Reports Server (NTRS)

    Sopher, R.; Studwell, R. E.; Cassarino, S.; Kottapalli, S. B. R.

    1982-01-01

    A coupled rotor/airframe vibration analysis developed as a design tool for predicting helicopter vibrations and a research tool to quantify the effects of structural properties, aerodynamic interactions, and vibration reduction devices on vehicle vibration levels is described. The analysis consists of a base program utilizing an impedance matching technique to represent the coupled rotor/airframe dynamics of the system supported by inputs from several external programs supplying sophisticated rotor and airframe aerodynamic and structural dynamic representation. The theoretical background, computer program capabilities and limited correlation results are presented in this report. Correlation results using scale model wind tunnel results show that the analysis can adequately predict trends of vibration variations with airspeed and higher harmonic control effects. Predictions of absolute values of vibration levels were found to be very sensitive to modal characteristics and results were not representative of measured values.

  9. High precision NC lathe feeding system rigid-flexible coupling model reduction technology

    NASA Astrophysics Data System (ADS)

    Xuan, He; Hua, Qingsong; Cheng, Lianjun; Zhang, Hongxin; Zhao, Qinghai; Mao, Xinkai

    2017-08-01

    This paper proposes the use of dynamic substructure method of reduction of order to achieve effective reduction of feed system for high precision NC lathe feeding system rigid-flexible coupling model, namely the use of ADAMS to establish the rigid flexible coupling simulation model of high precision NC lathe, and then the vibration simulation of the period by using the FD 3D damper is very effective for feed system of bolt connection reduction of multi degree of freedom model. The vibration simulation calculation is more accurate, more quickly.

  10. Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model

    NASA Astrophysics Data System (ADS)

    Fujisaki, Hiroshi; Yagi, Kiyoshi; Kikuchi, Hiroto; Takami, Toshiya; Stock, Gerhard

    2017-01-01

    Performing comprehensive quantum-chemical calculations, a vibrational Hamiltonian of acetylbenzonitrile is constructed, on the basis of which a quantum-mechanical "tier model" is developed that describes the vibrational dynamics following excitation of the CN stretch mode. Taking into account 36 vibrational modes and cubic and quartic anharmonic couplings between up to three different modes, the tier model calculations are shown to qualitatively reproduce the main findings of the experiments of Rubtsov and coworkers (2011), including the energy relaxation of the initially excited CN mode and the structure-dependent vibrational transport. Moreover, the calculations suggest that the experimentally measured cross-peak among the CN and CO modes does not correspond to direct excitation of the CO normal mode but rather reflects excited low-frequency vibrations that anharmonically couple to the CO mode. Complementary quasiclassical trajectory calculations are found to be in good overall agreement with the quantum calculations.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. Coupled rotor-body vibrations with inplane degrees of freedom

    NASA Technical Reports Server (NTRS)

    Ming-Sheng, H.; Peters, D. A.

    1985-01-01

    In an effort to understand the vibration mechanisms of helicopters, the following basic studies are considered. A coupled rotor-fuselage vibration analysis including inplane degrees of freedom of both rotor and airframe is performed by matching of rotor and fuselage impedances at the hub. A rigid blade model including hub motion is used to set up the rotor flaplag equations. For the airframe, 9 degrees of freedom and hub offsets are used. The equations are solved by harmonic balance. For a 4-bladed rotor, the coupled responses and hub loads are calculated for various parameters in forward flight. The results show that the addition of inplane degrees of freedom does not significantly affect the vertical vibrations for the cases considered, and that inplane vibrations have similar resonance trends as do flapping vibrations.

  13. Vibrations and structureborne noise in space station

    NASA Technical Reports Server (NTRS)

    Vaicaitis, R.; Lyrintzis, C. S.; Bofilios, D. A.

    1987-01-01

    Analytical models were developed to predict vibrations and structureborne noise generation of cylindrical and rectangular acoustic enclosures. These models are then used to determine structural vibration levels and interior noise to random point input forces. The guidelines developed could provide preliminary information on acoustical and vibrational environments in space station habitability modules under orbital operations. The structural models include single wall monocoque shell, double wall shell, stiffened orthotropic shell, descretely stiffened flat panels, and a coupled system composed of a cantilever beam structure and a stiffened sidewall. Aluminum and fiber reinforced composite materials are considered for single and double wall shells. The end caps of the cylindrical enclosures are modeled either as single or double wall circular plates. Sound generation in the interior space is calculated by coupling the structural vibrations to the acoustic field in the enclosure. Modal methods and transfer matrix techniques are used to obtain structural vibrations. Parametric studies are performed to determine the sensitivity of interior noise environment to changes in input, geometric and structural conditions.

  14. Nonlinear dynamics of magnetically coupled beams for multi-modal vibration energy harvesting

    NASA Astrophysics Data System (ADS)

    Abed, I.; Kacem, N.; Bouhaddi, N.; Bouazizi, M. L.

    2016-04-01

    We investigate the nonlinear dynamics of magnetically coupled beams for multi-modal vibration energy harvesting. A multi-physics model for the proposed device is developed taking into account geometric and magnetic nonlinearities. The coupled nonlinear equations of motion are solved using the Galerkin discretization coupled with the harmonic balance method and the asymptotic numerical method. Several numerical simulations have been performed showing that the expected performances of the proposed vibration energy harvester are significantly promising with up to 130 % in term of bandwidth and up to 60 μWcm-3g-2 in term of normalized harvested power.

  15. Fluid-structure coupling in the guide vanes cascade of a pump-turbine scale model

    NASA Astrophysics Data System (ADS)

    Roth, S.; Hasmatuchi, V.; Botero, F.; Farhat, M.; Avellan, F.

    2010-08-01

    The present study concerns fluid-structure coupling phenomena occurring in a guide vane cascade of a pump-turbine scale model placed in the EPFL PF3 test rig. An advanced instrument set is used to monitor both vibrating structures and the surrounding flow. The paper highlights the interaction between vibrating guide vanes and the flow behavior. The pressure fluctuations in the stay vanes region are found to be strongly influenced by the amplitude of the vibrating guide vanes. Moreover, the flow induces different hydrodynamic damping on the vibrating guide vanes depending on the operating point of the pump-turbine.

  16. Polariton condensation with saturable molecules dressed by vibrational modes

    DOE PAGES

    Cwik, Justyna A.; Reja, Sahinur; Littlewood, Peter B.; ...

    2014-02-01

    Here, polaritons, mixed light-matter quasiparticles, undergo a transition to a condensed, macroscopically coherent state at low temperatures or high densities. Recent experiments show that coupling light to organic molecules inside a microcavity allows condensation at room temperature. The molecules act as saturable absorbers with transitions dressed by molecular vibrational modes. Motivated by this, we calculate the phase diagram and spectrum of a modified Tavis-Cummings model, describing vibrationally dressed two-level systems, coupled to a cavity mode. Coupling to vibrational modes can induce re-entrance, i.e. a normal-condensed-normal sequence with decreasing temperature and can drive the transition first-order.

  17. Correlation of AH-1G airframe flight vibration data with a coupled rotor-fuselage analysis

    NASA Technical Reports Server (NTRS)

    Sangha, K.; Shamie, J.

    1990-01-01

    The formulation and features of the Rotor-Airframe Comprehensive Analysis Program (RACAP) is described. The analysis employs a frequency domain, transfer matrix approach for the blade structural model, a time domain wake or momentum theory aerodynamic model, and impedance matching for rotor-fuselage coupling. The analysis is applied to the AH-1G helicopter, and a correlation study is conducted on fuselage vibration predictions. The purpose of the study is to evaluate the state-of-the-art in helicopter fuselage vibration prediction technology. The fuselage vibration predicted using RACAP are fairly good in the vertical direction and somewhat deficient in the lateral/longitudinal directions. Some of these deficiencies are traced to the fuselage finite element model.

  18. Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering

    NASA Astrophysics Data System (ADS)

    Zammit, Mark; Fursa, Dmitry; Savage, Jeremy; Bray, Igor

    2016-09-01

    Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering have been calculated using the single-centre molecular convergent close-coupling (CCC) method. The adiabatic-nuclei approximation was utilized to model the above scattering processes and obtain the vibrationally resolved positron-H2 scattering length. As previously demonstrated, the CCC results are converged and accurately account for virtual and physical positronium formation by coupling basis functions with large orbital angular momentum. Here vibrationally resolved integrated and differential cross sections are presented over a wide energy range and compared with previous calculations and available experiments. Los Alamos National Laboratory and Curtin University.

  19. Electronic damping of anharmonic adsorbate vibrations at metallic surfaces

    NASA Astrophysics Data System (ADS)

    Tremblay, Jean Christophe; Monturet, Serge; Saalfrank, Peter

    2010-03-01

    The nonadiabatic coupling of an adsorbate close to a metallic surface leads to electronic damping of adsorbate vibrations and line broadening in vibrational spectroscopy. Here, a perturbative treatment of the electronic contribution to the lifetime broadening serves as a building block for a new approach, in which anharmonic vibrational transition rates are calculated from a position-dependent coupling function. Different models for the coupling function will be tested, all related to embedding theory. The first two are models based on a scattering approach with (i) a jellium-type and (ii) a density functional theory based embedding density, respectively. In a third variant a further refined model is used for the embedding density, and a semiempirical approach is taken in which a scaling factor is chosen to match harmonic, single-site, first-principles transition rates, obtained from periodic density functional theory. For the example of hydrogen atoms on (adsorption) and below (subsurface absorption) a Pd(111) surface, lifetimes of and transition rates between vibrational levels are computed. The transition rates emerging from different models serve as input for the selective subsurface adsorption of hydrogen in palladium starting from an adsorption site, by using sequences of infrared laser pulses in a laser distillation scheme.

  20. Modeling Quantum Dynamics in Multidimensional Systems

    NASA Astrophysics Data System (ADS)

    Liss, Kyle; Weinacht, Thomas; Pearson, Brett

    2017-04-01

    Coupling between different degrees-of-freedom is an inherent aspect of dynamics in multidimensional quantum systems. As experiments and theory begin to tackle larger molecular structures and environments, models that account for vibrational and/or electronic couplings are essential for interpretation. Relevant processes include intramolecular vibrational relaxation, conical intersections, and system-bath coupling. We describe a set of simulations designed to model coupling processes in multidimensional molecular systems, focusing on models that provide insight and allow visualization of the dynamics. Undergraduates carried out much of the work as part of a senior research project. In addition to the pedagogical value, the simulations allow for comparison between both explicit and implicit treatments of a system's many degrees-of-freedom.

  1. Effects of poroelastic coefficients on normal vibration modes in vocal-fold tissues.

    PubMed

    Tao, Chao; Liu, Xiaojun

    2011-02-01

    The vocal-fold tissue is treated as a transversally isotropic fluid-saturated porous material. Effects of poroelastic coefficients on eigenfrequencies and eigenmodes of the vocal-fold vibration are investigated using the Ritz method. The study demonstrates that the often-used elastic model is only a particular case of the poroelastic model with an infinite fluid-solid mass coupling parameter. The elastic model may be considered appropriate for the vocal-fold tissue when the absolute value of the fluid-solid mass coupling parameter is larger than 10(5) kg/m(3). Otherwise, the poroelastic model may be more accurate. The degree of compressibility of the vocal tissue can also been described by the poroelastic coefficients. Finally, it is revealed that the liquid and solid components in a poroelastic model could have different modal shapes when the coupling between them is weak. The mode decoupling could cause desynchronization and irregular vibration of the folds.

  2. Vibro-acoustic model of a piezoelectric-based stethoscope for chest sound measurements

    NASA Astrophysics Data System (ADS)

    Nelson, G.; Rajamani, R.; Erdman, A.

    2015-09-01

    This article focuses on the influence of noise and vibration on chest sound measurements with a piezoelectric stethoscope. Two types of vibrations, namely inputs through the patient chest and disturbances from the physician, influence the acoustic measurement. The goal of this work is to develop a model to understand the propagation of these vibrational noises through the stethoscope and to the piezoelectric sensing element. Using the model, methods to reduce the influence of disturbances acting on the stethoscope from the physician handling the device are explored. A multi-DOF rigid body vibration model consisting of discrete connected components is developed for the piezoelectric stethoscope. Using a two-port lumped parameter model, the mechanical vibrations are related to the resulting electrical signal. The parameterized state space model is experimentally validated and its parameters are identified by using a thorax simulator and vibration shaker. Based on predictions from the model, the introduction of vibration isolation to reduce the influence of physician noise on the transducer is then pursued. It is shown that direct vibration isolation between the transducer and the rest of the stethoscope structure leads to a reduction in coupling with the patient’s chest. However, if isolation is instead introduced between the transducer housing and the rest of the stethoscope, then vibration isolation from the physician is achieved with far less reduction in patient coupling. Experimental results are presented to study the influence of the proposed design changes and confirm the predicted model behavior.

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

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

    Schulze, Jan; Kühn, Oliver, E-mail: oliver.kuehn@uni-rostock.de; Shibl, Mohamed F., E-mail: mfshibl@qu.edu.qa

    2016-05-14

    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 motionmore » 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.« less

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

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

  5. Piezoelectric actuator models for active sound and vibration control of cylinders

    NASA Technical Reports Server (NTRS)

    Lester, Harold C.; Lefebvre, Sylvie

    1993-01-01

    Analytical models for piezoelectric actuators, adapted from flat plate concepts, are developed for noise and vibration control applications associated with vibrating circular cylinders. The loadings applied to the cylinder by the piezoelectric actuators for the bending and in-plane force models are approximated by line moment and line force distributions, respectively, acting on the perimeter of the actuator patch area. Coupling between the cylinder and interior acoustic cavity is examined by studying the modal spectra, particularly for the low-order cylinder modes that couple efficiently with the cavity at low frequencies. Within the scope of this study, the in-plane force model produced a more favorable distribution of low-order modes, necessary for efficient interior noise control, than did the bending model.

  6. Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

    NASA Technical Reports Server (NTRS)

    Carlson, Leland A.

    1993-01-01

    The period from Jan. 1993 thru Aug. 1993 is covered. The primary tasks during this period were the development of a single and multi-vibrational temperature preferential vibration-dissociation coupling model, the development of a normal shock nonequilibrium radiation-gasdynamic coupling model based upon the blunt body model, and the comparison of results obtained with these models with experimental data. In addition, an extensive series of computations were conducted using the blunt body model to develop a set of reference results covering a wide range of vehicle sizes, altitudes, and entry velocities.

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

    NASA Technical Reports Server (NTRS)

    Rutkowski, M. J.

    1983-01-01

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

  8. Dynamic modelling and control of a rotating Euler-Bernoulli beam

    NASA Astrophysics Data System (ADS)

    Yang, J. B.; Jiang, L. J.; Chen, D. CH.

    2004-07-01

    Flexible motion of a uniform Euler-Bernoulli beam attached to a rotating rigid hub is investigated. Fully coupled non-linear integro-differential equations, describing axial, transverse and rotational motions of the beam, are derived by using the extended Hamilton's principle. The centrifugal stiffening effect is included in the derivation. A finite-dimensional model, including couplings of axial and transverse vibrations, and of elastic deformations and rigid motions, is obtained by the finite element method. By neglecting the axial motion, a simplified modelling, suitable for studying the transverse vibration and control of a beam with large angle and high-speed rotation, is presented. And suppressions of transverse vibrations of a rotating beam are simulated with the model by combining positive position feedback and momentum exchange feedback control laws. It is indicated that an improved performance for vibration control can be achieved with the method.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

    The soft under baseplate pad of WJ-8 rail fastener frequently used in China's high-speed railways was taken as the study subject, and a laboratory test was performed to measure its temperature and frequency-dependent dynamic performance at 0.3 Hz and at -60°C to 20°C with intervals of 2.5°C. Its higher frequency-dependent results at different temperatures were then further predicted based on the time-temperature superposition (TTS) and Williams-Landel-Ferry (WLF) formula. The fractional derivative Kelvin-Voigt (FDKV) model was used to represent the temperature- and frequency-dependent dynamic properties of the tested rail pad. By means of the FDKV model for rail pads and vehicle-track coupled dynamic theory, high-speed vehicle-track coupled vibrations due to temperature- and frequency-dependent dynamic properties of rail pads was investigated. Finally, further combining with the measured frequency-dependent dynamic performance of vehicle's rubber primary suspension, the high-speed vehicle-track coupled vibration responses were discussed. It is found that the storage stiffness and loss factor of the tested rail pad are sensitive to low temperatures or high frequencies. The proposed FDKV model for the frequency-dependent storage stiffness and loss factors of the tested rail pad can basically meet the fitting precision, especially at ordinary temperatures. The numerical simulation results indicate that the vertical vibration levels of high-speed vehicle-track coupled systems calculated with the FDKV model for rail pads in time domain are higher than those calculated with the ordinary Kelvin-Voigt (KV) model for rail pads. Additionally, the temperature- and frequency-dependent dynamic properties of the tested rail pads would alter the vertical vibration acceleration levels (VALs) of the car body and bogie in 1/3 octave frequencies above 31.5 Hz, especially enlarge the vertical VALs of the wheel set and rail in 1/3 octave frequencies of 31.5-100 Hz and above 315 Hz, which are the dominant frequencies of ground vibration acceleration and rolling noise (or bridge noise) caused by high-speed railways respectively. Since the fractional derivative value of the adopted rubber primary suspension, unlike the tested rail pad, is very close to 1, its frequency-dependent dynamic performance has little effect on high-speed vehicle-track coupled vibration responses.

  10. A general higher-order nonlocal couple stress based beam model for vibration analysis of porous nanocrystalline nanobeams

    NASA Astrophysics Data System (ADS)

    Ebrahimi, Farzad; Barati, Mohammad Reza

    2017-12-01

    This paper develops a higher order refined beam model with a parabolic shear strain function for vibration analysis of porous nanocrystalline nanobeams based on nonlocal couple stress theory. Nanocrystalline nanobeam is composed from three phases which are nano-grains, nano-voids and interface. Nano-voids or porosities inside the material have a stiffness-softening impact on the nanobeam. Nonlocal elasticity theory of Eringen is applied in analysis of nanocrystalline nanobeams for the first time. Also, modified couple stress theory is employed to capture grains rigid rotations. The governing equations obtained from Hamilton's principle are solved applying an analytical approach which satisfies various boundary conditions. The reliability of present approach is verified by comparing obtained results with those provided in literature. Finally the influences of nonlocal parameter, couple stress, grain size, porosities and shear deformation on the vibration characteristics of nanocrystalline nanobeams are explored.

  11. Nonlinear modal resonances in low-gravity slosh-spacecraft systems

    NASA Technical Reports Server (NTRS)

    Peterson, Lee D.

    1991-01-01

    Nonlinear models of low gravity slosh, when coupled to spacecraft vibrations, predict intense nonlinear eigenfrequency shifts at zero gravity. These nonlinear frequency shifts are due to internal quadratic and cubic resonances between fluid slosh modes and spacecraft vibration modes. Their existence has been verified experimentally, and they cannot be correctly modeled by approximate, uncoupled nonlinear models, such as pendulum mechanical analogs. These predictions mean that linear slosh assumptions for spacecraft vibration models can be invalid, and may lead to degraded control system stability and performance. However, a complete nonlinear modal analysis will predict the correct dynamic behavior. This paper presents the analytical basis for these results, and discusses the effect of internal resonances on the nonlinear coupled response at zero gravity.

  12. Vibration modelling and verifications for whole aero-engine

    NASA Astrophysics Data System (ADS)

    Chen, G.

    2015-08-01

    In this study, a new rotor-ball-bearing-casing coupling dynamic model for a practical aero-engine is established. In the coupling system, the rotor and casing systems are modelled using the finite element method, support systems are modelled as lumped parameter models, nonlinear factors of ball bearings and faults are included, and four types of supports and connection models are defined to model the complex rotor-support-casing coupling system of the aero-engine. A new numerical integral method that combines the Newmark-β method and the improved Newmark-β method (Zhai method) is used to obtain the system responses. Finally, the new model is verified in three ways: (1) modal experiment based on rotor-ball bearing rig, (2) modal experiment based on rotor-ball-bearing-casing rig, and (3) fault simulations for a certain type of missile turbofan aero-engine vibration. The results show that the proposed model can not only simulate the natural vibration characteristics of the whole aero-engine but also effectively perform nonlinear dynamic simulations of a whole aero-engine with faults.

  13. Aeroelastic Model of Vocal-Fold Vibrating Element for Studying the Phonation Threshold

    NASA Astrophysics Data System (ADS)

    Horáček, J.; Švec, J. G.

    2002-10-01

    An original theoretical model for vibration onset of the vocal folds in the air-flow coming from the human subglottal tract is designed, which allows studying the influence of the physical properties of the vocal folds (e.g., geometrical shape, mass, viscosity) on their vibration characteristics (such as the natural frequencies, mode shapes of vibration and the thresholds of instability). The mathematical model of the vocal fold is designed as a simplified dynamic system of two degrees of freedom (rotation and translation) vibrating on an elastic foundation in the wall of a channel conveying air. An approximate unsteady one-dimensional flow theory for the inviscid incompressible fluid is presented for the phonatory air-flow. A generally defined shape of the vocal-fold surface is considered for expressing the unsteady aerodynamic forces in the glottis. The parameters of the mechanical part of the model, i.e., the mass, stiffness and damping matrices, are related to the geometry and material density of the vocal folds as well as to the fundamental natural frequency and damping known from experiments. The coupled numerical solution yields the vibration characteristics (natural frequencies, damping and mode shapes of vibration), including the instability thresholds of the aeroelastic system. The vibration characteristics obtained from the coupled numerical solution of the system appear to be in reasonable qualitative agreement with the physiological data and clinical observations. The model is particularly suitable for studying the phonation threshold, i.e., the onset of vibration of the vocal folds.

  14. Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    DOE PAGES

    Gali, Adam; Demján, Tamás; Vörös, Márton; ...

    2016-04-22

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential tomore » properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Furthermore, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect.« less

  15. Electron–vibration coupling induced renormalization in the photoemission spectrum of diamondoids

    PubMed Central

    Gali, Adam; Demján, Tamás; Vörös, Márton; Thiering, Gergő; Cannuccia, Elena; Marini, Andrea

    2016-01-01

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential to properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Moreover, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect. PMID:27103340

  16. Torsion-inversion tunneling patterns in the CH-stretch vibrationally excited states of the G12 family of molecules including methylamine.

    PubMed

    Dawadi, Mahesh B; Bhatta, Ram S; Perry, David S

    2013-12-19

    Two torsion-inversion tunneling models (models I and II) are reported for the CH-stretch vibrationally excited states in the G12 family of molecules. The torsion and inversion tunneling parameters, h(2v) and h(3v), respectively, are combined with low-order coupling terms involving the CH-stretch vibrations. Model I is a group theoretical treatment starting from the symmetric rotor methyl CH-stretch vibrations; model II is an internal coordinate model including the local-local CH-stretch coupling. Each model yields predicted torsion-inversion tunneling patterns of the four symmetry species, A, B, E1, and E2, in the CH-stretch excited states. Although the predicted tunneling patterns for the symmetric CH-stretch excited state are the same as for the ground state, inverted tunneling patterns are predicted for the asymmetric CH-stretches. The qualitative tunneling patterns predicted are independent of the model type and of the particular coupling terms considered. In model I, the magnitudes of the tunneling splittings in the two asymmetric CH-stretch excited states are equal to half of that in the ground state, but in model II, they differ when the tunneling rate is fast. The model predictions are compared across the series of molecules methanol, methylamine, 2-methylmalonaldehyde, and 5-methyltropolone and to the available experimental data.

  17. Nonlinear vibration of a coupled high- Tc superconducting levitation system

    NASA Astrophysics Data System (ADS)

    Sugiura, T.; Inoue, T.; Ura, H.

    2004-10-01

    High- Tc superconducting levitation can be applied to electro-mechanical systems, such as flywheel energy storage and linear-drive transportation. Such a system can be modeled as a magnetically coupled system of many permanent magnets and high- Tc superconducting bulks. It is a multi-degree-of-freedom dynamical system coupled by nonlinear interaction between levitated magnets and superconducting bulks. This nonlinearly coupled system, with small damping due to no contact support, can easily show complicated phenomena of nonlinear dynamics. In mechanical design, it is important to evaluate this nonlinear dynamics, though it has not been well studied so far. This research deals with forced vibration of a coupled superconducting levitation system. As a simple modeling of a coupled system, a permanent magnet levitated above a superconducting bulk is placed between two fixed permanent magnets without contact. Frequency response of the levitated magnet under excitation of one of the fixed magnets was examined theoretically. The results show typical nonlinear vibration, such as jump, hysteresis, and parametric resonance, which were confirmed in our numerical analyses and experiments.

  18. Coherent Exciton Dynamics in the Presence of Underdamped Vibrations

    DOE PAGES

    Dijkstra, Arend G.; Wang, Chen; Cao, Jianshu; ...

    2015-01-22

    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 themore » 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.« less

  19. High Cycle Fatigue Prediction for Mistuned Bladed Disks with Fully Coupled Fluid-Structural Interaction

    DTIC Science & Technology

    2006-06-01

    response (time domain) structural vibration model for mistuned rotor bladed disk based on the efficient SNM model has been developed. The vi- bration...airfoil and 3D wing, unsteady vortex shedding of a stationary cylinder, induced vibration of a cylinder, forced vibration of a pitching airfoil, induced... vibration and flutter boundary of 2D NACA 64A010 transonic airfoil, 3D plate wing structural response. The predicted results agree well with benchmark

  20. Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

    PubMed

    Dracínský, Martin; Kaminský, Jakub; Bour, Petr

    2009-03-07

    Relative importance of anharmonic corrections to molecular vibrational energies, nuclear magnetic resonance (NMR) chemical shifts, and J-coupling constants was assessed for a model set of methane derivatives, differently charged alanine forms, and sugar models. Molecular quartic force fields and NMR parameter derivatives were obtained quantum mechanically by a numerical differentiation. In most cases the harmonic vibrational function combined with the property second derivatives provided the largest correction of the equilibrium values, while anharmonic corrections (third and fourth energy derivatives) were found less important. The most computationally expensive off-diagonal quartic energy derivatives involving four different coordinates provided a negligible contribution. The vibrational corrections of NMR shifts were small and yielded a convincing improvement only for very accurate wave function calculations. For the indirect spin-spin coupling constants the averaging significantly improved already the equilibrium values obtained at the density functional theory level. Both first and complete second shielding derivatives were found important for the shift corrections, while for the J-coupling constants the vibrational parts were dominated by the diagonal second derivatives. The vibrational corrections were also applied to some isotopic effects, where the corrected values reasonably well reproduced the experiment, but only if a full second-order expansion of the NMR parameters was included. Contributions of individual vibrational modes for the averaging are discussed. Similar behavior was found for the methane derivatives, and for the larger and polar molecules. The vibrational averaging thus facilitates interpretation of previous experimental results and suggests that it can make future molecular structural studies more reliable. Because of the lengthy numerical differentiation required to compute the NMR parameter derivatives their analytical implementation in future quantum chemistry packages is desirable.

  1. Fully-coupled aeroelastic simulation with fluid compressibility — For application to vocal fold vibration

    PubMed Central

    Yang, Jubiao; Wang, Xingshi; Krane, Michael; Zhang, Lucy T.

    2017-01-01

    In this study, a fully-coupled fluid–structure interaction model is developed for studying dynamic interactions between compressible fluid and aeroelastic structures. The technique is built based on the modified Immersed Finite Element Method (mIFEM), a robust numerical technique to simulate fluid–structure interactions that has capabilities to simulate high Reynolds number flows and handles large density disparities between the fluid and the solid. For accurate assessment of this intricate dynamic process between compressible fluid, such as air and aeroelastic structures, we included in the model the fluid compressibility in an isentropic process and a solid contact model. The accuracy of the compressible fluid solver is verified by examining acoustic wave propagations in a closed and an open duct, respectively. The fully-coupled fluid–structure interaction model is then used to simulate and analyze vocal folds vibrations using compressible air interacting with vocal folds that are represented as layered viscoelastic structures. Using physiological geometric and parametric setup, we are able to obtain a self-sustained vocal fold vibration with a constant inflow pressure. Parametric studies are also performed to study the effects of lung pressure and vocal fold tissue stiffness in vocal folds vibrations. All the case studies produce expected airflow behavior and a sustained vibration, which provide verification and confidence in our future studies of realistic acoustical studies of the phonation process. PMID:29527067

  2. Experimental validation of a numerical model for subway induced vibrations

    NASA Astrophysics Data System (ADS)

    Gupta, S.; Degrande, G.; Lombaert, G.

    2009-04-01

    This paper presents the experimental validation of a coupled periodic finite element-boundary element model for the prediction of subway induced vibrations. The model fully accounts for the dynamic interaction between the train, the track, the tunnel and the soil. The periodicity or invariance of the tunnel and the soil in the longitudinal direction is exploited using the Floquet transformation, which allows for an efficient formulation in the frequency-wavenumber domain. A general analytical formulation is used to compute the response of three-dimensional invariant or periodic media that are excited by moving loads. The numerical model is validated by means of several experiments that have been performed at a site in Regent's Park on the Bakerloo line of London Underground. Vibration measurements have been performed on the axle boxes of the train, on the rail, the tunnel invert and the tunnel wall, and in the free field, both at the surface and at a depth of 15 m. Prior to these vibration measurements, the dynamic soil characteristics and the track characteristics have been determined. The Bakerloo line tunnel of London Underground has been modelled using the coupled periodic finite element-boundary element approach and free field vibrations due to the passage of a train at different speeds have been predicted and compared to the measurements. The correspondence between the predicted and measured response in the tunnel is reasonably good, although some differences are observed in the free field. The discrepancies are explained on the basis of various uncertainties involved in the problem. The variation in the response with train speed is similar for the measurements as well as the predictions. This study demonstrates the applicability of the coupled periodic finite element-boundary element model to make realistic predictions of the vibrations from underground railways.

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

    NASA Technical Reports Server (NTRS)

    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.

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

    NASA Technical Reports Server (NTRS)

    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.

  5. A theoretical and experimental benchmark study of core-excited states in nitrogen

    NASA Astrophysics Data System (ADS)

    Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik

    2018-02-01

    The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

  6. Influences of Quantum Mechanically Mixed Electronic and Vibrational Pigment States in 2D Electronic Spectra of Photosynthetic Systems: Strong Electronic Coupling Cases

    DOE PAGES

    Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito

    2015-09-07

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures.more » However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this paper, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300 K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. Finally, the electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics despite contributing to the enhancement of long-lived quantum beating in the 2D spectra.« less

  7. Adsorbate hopping via vibrational-mode coupling induced by femtosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Ueba, H.; Hayashi, M.; Paulsson, M.; Persson, B. N. J.

    2008-09-01

    We study the heat transfer from femtosecond laser-heated hot electrons in a metal to adsorbates in the presence of vibrational-mode coupling. The theory is successfully applied to the experimental result of atomic oxygen hopping on a vicinal Pt(111) surface. The effective friction coupling between hot electrons and the vibrational mode relevant to the hopping motion depends on the transient temperature of the partner mode excited by hot electrons. The calculated two-pulse correlation and fluence dependence of the hopping probability reproduce the experimental results, which were previously analyzed using the hot-electron temperature (Te) -dependent friction ηa(Te) in a conventional heat transfer equation. A possible elementary process behind such a hypothetic modeling using ηa(Te) is discussed in terms of an indirect heating of the vibrational mode for hopping at the surface.

  8. Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems

    NASA Astrophysics Data System (ADS)

    Schinabeck, C.; Erpenbeck, A.; Härtle, R.; Thoss, M.

    2016-11-01

    Within the hierarchical quantum master equation (HQME) framework, an approach is presented, which allows a numerically exact description of nonequilibrium charge transport in nanosystems with strong electronic-vibrational coupling. The method is applied to a generic model of vibrationally coupled transport considering a broad spectrum of parameters ranging from the nonadiabatic to the adiabatic regime and including both resonant and off-resonant transport. We show that nonequilibrium effects are important in all these regimes. In particular, in the off-resonant transport regime, the inelastic cotunneling signal is analyzed for a vibrational mode in full nonequilibrium, revealing a complex interplay of different transport processes and deviations from the commonly used G0/2 rule of thumb. In addition, the HQME approach is used to benchmark approximate master equation and nonequilibrium Green's function methods.

  9. Coupled lateral-torsional-axial vibrations of a helical gear-rotor-bearing system

    NASA Astrophysics Data System (ADS)

    Li, Chao-Feng; Zhou, Shi-Hua; Liu, Jie; Wen, Bang-Chun

    2014-10-01

    Considering the axial and radial loads, a mathematical model of angular contact ball bearing is deduced with Hertz contact theory. With the coupling effects of lateral, torsional and axial vibrations taken into account, a lumped-parameter nonlinear dynamic model of helical gearrotor-bearing system (HGRBS) is established to obtain the transmission system dynamic response to the changes of different parameters. The vibration differential equations of the drive system are derived through the Lagrange equation, which considers the kinetic and potential energies, the dissipative function and the internal/external excitation. Based on the Runge-Kutta numerical method, the dynamics of the HGRBS is investigated, which describes vibration properties of HGRBS more comprehensively. The results show that the vibration amplitudes have obvious fluctuation, and the frequency multiplication and random frequency components become increasingly obvious with changing rotational speed and eccentricity at gear and bearing positions. Axial vibration of the HGRBS also has some fluctuations. The bearing has self-variable stiffness frequency, which should be avoided in engineering design. In addition, the bearing clearance needs little attention due to its slightly discernible effect on vibration response. It is suggested that a careful examination should be made in modelling the nonlinear dynamic behavior of a helical gear-rotor-bearing system.

  10. Probing the Structure of {sup 74}Ge Nucleus with Coupled-channels Analysis of {sup 74}Ge+{sup 74}Ge Fusion Reaction

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

    Zamrun F, Muhammad; Jurusan Fisika FMIPA, Universitas Haluoleo, Kendari, Sulawesi Tenggara, 93232; Kasim, Hasan Abu

    2010-12-23

    We study the fusion reaction of the {sup 74}Ge+{sup 74}Ge system in term of the full order coupled-channels formalism. We especially calculated the fusion cross section as well as the fusion barrier distribution of this reaction using transition matrix suggested by recent Coulomb excitation experiment. We compare the results with the one obtained by coupling matrix based on pure vibrational and rotational models. The present coupled-channels calculations for the barrier distributions obtained using experiment coupling matrix is in good agreement with the one obtained with vibrational model, in contrast to the rotational model. This is indicates that {sup 74}Ge nucleusmore » favor a spherical shape than a deformed shape in its ground state. Our results will resolve the debates concerning the structure of this nucleus.« less

  11. Physical and numerical investigation of the flow induced vibration of the hydrofoil

    NASA Astrophysics Data System (ADS)

    Wu, Q.; Wang, G. Y.; Huang, B.

    2016-11-01

    The objective of this paper is to investigate the flow induced vibration of a flexible hydrofoil in cavitating flows via combined experimental and numerical studies. The experiments are presented for the modified NACA66 hydrofoil made of POM Polyacetate in the closed-loop cavitation tunnel at Beijing Institute of Technology. The high-speed camera and the single point Laser Doppler Vibrometer are applied to analyze the transient flow structures and the corresponding structural vibration characteristics. The hybrid coupled fluid structure interaction model is conducted to couple the incompressible and unsteady Reynolds Averaged Navier-Stokes solver with a simplified two-degree-of-freedom structural model. The k-ω SST turbulence model with the turbulence viscosity correction and the Zwart cavitation model are introduced to the present simulations. The results showed that with the decreasing of the cavitation number, the cavitating flows display incipient cavitation, sheet cavitation, cloud cavitation and supercavitation. The vibration magnitude increases dramatically for the cloud cavitation and decline for the supercavitation. The cloud cavitation development strongly affects the vibration response, which is corresponding to the periodically developing and shedding of the large-scale cloud cavity. The main frequency of the vibration amplitude is accordance with the cavity shedding frequency and other two frequencies of the vibration amplitude are corresponding to the natural frequencies of the bending and twisting modes.

  12. Understanding the Origins of Dipolar Couplings and Correlated Motion in the Vibrational Spectrum of Water.

    PubMed

    Heyden, Matthias; Sun, Jian; Forbert, Harald; Mathias, Gerald; Havenith, Martina; Marx, Dominik

    2012-08-16

    The combination of vibrational spectroscopy and molecular dynamics simulations provides a powerful tool to obtain insights into the molecular details of water structure and dynamics in the bulk and in aqueous solutions. Applying newly developed approaches to analyze correlations of charge currents, molecular dipole fluctuations, and vibrational motion in real and k-space, we compare results from nonpolarizable water models, widely used in biomolecular modeling, to ab initio molecular dynamics. For the first time, we unfold the infrared response of bulk water into contributions from correlated fluctuations in the three-dimensional, anisotropic environment of an average water molecule, from the OH-stretching region down to the THz regime. Our findings show that the absence of electronic polarizability in the force field model not only results in differences in dipolar couplings and infrared absorption but also induces artifacts into the correlated vibrational motion between hydrogen-bonded water molecules, specifically at the intramolecular bending frequency. Consequently, vibrational motion is partially ill-described with implications for the accuracy of non-self-consistent, a posteriori methods to add polarizability.

  13. Virtual Shaker Testing: Simulation Technology Improves Vibration Test Performance

    NASA Technical Reports Server (NTRS)

    Ricci, Stefano; Peeters, Bart; Fetter, Rebecca; Boland, Doug; Debille, Jan

    2008-01-01

    In the field of vibration testing, the interaction between the structure being tested and the instrumentation hardware used to perform the test is a critical issue. This is particularly true when testing massive structures (e.g. satellites), because due to physical design and manufacturing limits, the dynamics of the testing facility often couples with the test specimen one in the frequency range of interest. A further issue in this field is the standard use of a closed loop real-time vibration control scheme, which could potentially shift poles and change damping of the aforementioned coupled system. Virtual shaker testing is a novel approach to deal with these issues. It means performing a simulation which closely represents the real vibration test on the specific facility by taking into account all parameters which might impact the dynamic behavior of the specimen. In this paper, such a virtual shaker testing approach is developed. It consists of the following components: (1) Either a physical-based or an equation-based coupled electro-mechanical lumped parameter shaker model is created. The model parameters are obtained from manufacturer's specifications or by carrying out some dedicated experiments; (2) Existing real-time vibration control algorithm are ported to the virtual simulation environment; and (3) A structural model of the test object is created and after defining proper interface conditions structural modes are computed by means of the well-established Craig-Bampton CMS technique. At this stage, a virtual shaker test has been run, by coupling the three described models (shaker, control loop, structure) in a co-simulation routine. Numerical results have eventually been correlated with experimental ones in order to assess the robustness of the proposed methodology.

  14. A nonequilibrium model for a moderate pressure hydrogen microwave discharge plasma

    NASA Technical Reports Server (NTRS)

    Scott, Carl D.

    1993-01-01

    This document describes a simple nonequilibrium energy exchange and chemical reaction model to be used in a computational fluid dynamics calculation for a hydrogen plasma excited by microwaves. The model takes into account the exchange between the electrons and excited states of molecular and atomic hydrogen. Specifically, electron-translation, electron-vibration, translation-vibration, ionization, and dissociation are included. The model assumes three temperatures, translational/rotational, vibrational, and electron, each describing a Boltzmann distribution for its respective energy mode. The energy from the microwave source is coupled to the energy equation via a source term that depends on an effective electric field which must be calculated outside the present model. This electric field must be found by coupling the results of the fluid dynamics and kinetics solution with a solution to Maxwell's equations that includes the effects of the plasma permittivity. The solution to Maxwell's equations is not within the scope of this present paper.

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

    NASA Technical Reports Server (NTRS)

    Frendi, A.; Robinson, J. H.

    1993-01-01

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

  16. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

    NASA Astrophysics Data System (ADS)

    Meng, Qingyong; Meyer, Hans-Dieter

    2015-10-01

    Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in the present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.

  17. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

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

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn; Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de

    2015-10-28

    Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in themore » present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.« less

  18. Efficient vibration mode analysis of aircraft with multiple external store configurations

    NASA Technical Reports Server (NTRS)

    Karpel, M.

    1988-01-01

    A coupling method for efficient vibration mode analysis of aircraft with multiple external store configurations is presented. A set of low-frequency vibration modes, including rigid-body modes, represent the aircraft. Each external store is represented by its vibration modes with clamped boundary conditions, and by its rigid-body inertial properties. The aircraft modes are obtained from a finite-element model loaded by dummy rigid external stores with fictitious masses. The coupling procedure unloads the dummy stores and loads the actual stores instead. The analytical development is presented, the effects of the fictitious mass magnitudes are discussed, and a numerical example is given for a combat aircraft with external wing stores. Comparison with vibration modes obtained by a direct (full-size) eigensolution shows very accurate coupling results. Once the aircraft and stores data bases are constructed, the computer time for analyzing any external store configuration is two to three orders of magnitude less than that of a direct solution.

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

    NASA Technical Reports Server (NTRS)

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

    1982-01-01

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

  20. Coupled vibration of isotropic metal hollow cylinders with large geometrical dimensions

    NASA Astrophysics Data System (ADS)

    Lin, Shuyu

    2007-08-01

    In this paper, the coupled vibration of isotropic metal hollow cylinders with large geometrical dimensions is studied by using an approximate analytic method. According to this method, when the equivalent mechanical coupling coefficient that is defined as the stress ratio is introduced, the coupled vibration of a metal hollow cylinder is reduced to two equivalent one-dimensional vibrations, one is an equivalent longitudinal extensional vibration in the height direction of the cylinder, and the other is an equivalent plane radial vibration in the radius direction. These two equivalent vibrations are coupled to each other by the equivalent mechanical coupling coefficient. The resonance frequency equation of metal hollow cylinders in coupled vibration is derived and longitudinal and radial resonance frequencies are computed. For comparison, the resonance frequencies of the hollow cylinders are also computed by using numerical method. The analysis shows that the results from these two methods are in a good agreement with each other.

  1. Single-crystal-material-based induced-shear actuation for vibration reduction of helicopters with composite rotor system

    NASA Astrophysics Data System (ADS)

    Pawar, Prashant M.; Jung, Sung Nam

    2008-12-01

    In this study, an assessment is made for the helicopter vibration reduction of composite rotor blades using an active twist control concept. Special focus is given to the feasibility of implementing the benefits of the shear actuation mechanism along with elastic couplings of composite blades for achieving maximum vibration reduction. The governing equations of motion for composite rotor blades with surface bonded piezoceramic actuators are obtained using Hamilton's principle. The equations are then solved for dynamic response using finite element discretization in the spatial and time domains. A time domain unsteady aerodynamic theory with free wake model is used to obtain the airloads. A newly developed single-crystal piezoceramic material is introduced as an actuator material to exploit its superior shear actuation authority. Seven rotor blades with different elastic couplings representing stiffness properties similar to stiff-in-plane rotor blades are used to investigate the hub vibration characteristics. The rotor blades are modeled as a box beam with actuator layers bonded on the outer surface of the top and bottom of the box section. Numerical results show that a notable vibration reduction can be achieved for all the combinations of composite rotor blades. This investigation also brings out the effect of different elastic couplings on various vibration-reduction-related parameters which could be useful for the optimal design of composite helicopter blades.

  2. Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

    NASA Technical Reports Server (NTRS)

    Grossman, B.; Cinnella, P.

    1990-01-01

    The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

  3. Lumped Parameter Modeling for Rapid Vibration Response Prototyping and Test Correlation for Electronic Units

    NASA Technical Reports Server (NTRS)

    Van Dyke, Michael B.

    2013-01-01

    Present preliminary work using lumped parameter models to approximate dynamic response of electronic units to random vibration; Derive a general N-DOF model for application to electronic units; Illustrate parametric influence of model parameters; Implication of coupled dynamics for unit/board design; Demonstrate use of model to infer printed wiring board (PWB) dynamics from external chassis test measurement.

  4. Effects of modal truncation and condensation methods on the Frequency Response Function of a stage reducer connected by rigid coupling to a planetary gear system

    NASA Astrophysics Data System (ADS)

    Bouslema, Marwa; Frikha, Ahmed; Abdennadhar, Moez; Fakhfakh, Tahar; Nasri, Rachid; Haddar, Mohamed

    2017-12-01

    The present paper is aimed at the application of a substructure methodology, based on the Frequency Response Function (FRF) simulation technique, to analyze the vibration of a stage reducer connected by a rigid coupling to a planetary gear system. The computation of the vibration response was achieved using the FRF-based substructuring method. First of all, the two subsystems were analyzed separately and their FRF were obtained. Then the coupled model was analyzed indirectly using the substructuring technique. A comparison between the full system response and the coupled model response using the FRF substructuring was investigated to validate the coupling method. Furthermore, a parametric study of the effect of the shaft coupling stiffness on the FRF was discussed and the effects of modal truncation and condensation methods on the FRF of subsystems were analyzed.

  5. The coherence lifetime-borrowing effect in vibronically coupled molecular aggregates under non-perturbative system-environment interactions.

    NASA Astrophysics Data System (ADS)

    Yeh, Shu-Hao; Engel, Gregory S.; Kais, Sabre

    Recently it has been suggested that the long-lived coherences in some photosynthetic pigment-protein systems, such as the Fenna-Matthews-Olson complex, could be attributed to the mixing of the pigments' electronic and vibrational degrees of freedom. In order to verify whether this is the case and to understand its underlying mechanism, a theoretical model capable of including both the electronic excitations and intramolecular vibrational modes of the pigments is necessary. Our model simultaneously considers the electronic and vibrational degrees of freedom, treating the system-environment interactions non-perturbatively by implementing the hierarchical equations of motion approach. Here we report the simulated two-dimensional electronic spectra of vibronically coupled molecular dimers to demonstrate how the electronic coherence lifetimes can be extended by borrowing the lifetime from the vibrational coherences. Funded by Qatar National Research Fund and Qatar Environment and Energy Research Institute.

  6. A theoretical and experimental benchmark study of core-excited states in nitrogen

    DOE PAGES

    Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; ...

    2018-02-14

    The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

  7. A theoretical and experimental benchmark study of core-excited states in nitrogen

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

    Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan

    The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

  8. Communication: Creation of molecular vibrational motions via the rotation-vibration coupling

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

    Shu, Chuan-Cun; School of Engineering and Information Technology, University of New South Wales at the Australian Defence Force Academy, Canberra, ACT 2600; Henriksen, Niels E., E-mail: neh@kemi.dtu.dk

    2015-06-14

    Building on recent advances in the rotational excitation of molecules, we show how the effect of rotation-vibration coupling can be switched on in a controlled manner and how this coupling unfolds in real time after a pure rotational excitation. We present the first examination of the vibrational motions which can be induced via the rotation-vibration coupling after a pulsed rotational excitation. A time-dependent quantum wave packet calculation for the HF molecule shows how a slow (compared to the vibrational period) rotational excitation leads to a smooth increase in the average bond length whereas a fast rotational excitation leads to amore » non-stationary vibrational motion. As a result, under field-free postpulse conditions, either a stretched stationary bond or a vibrating bond can be created due to the coupling between the rotational and vibrational degrees of freedom. The latter corresponds to a laser-induced breakdown of the adiabatic approximation for rotation-vibration coupling.« less

  9. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.

    PubMed

    Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Gambi, Alberto

    2012-06-07

    Difluoromethane (CH(2)F(2), HFC-32) is a molecule used in refrigerant mixtures as a replacement of the more environmentally hazardous, ozone depleting, chlorofluorocarbons. On the other hand, presenting strong vibration-rotation bands in the 9 μm atmospheric window, it is a greenhouse gas which contributes to global warming. In the present work, the vibrational and ro-vibrational properties of CH(2)F(2), providing basic data for its atmospheric modeling, are studied in detail by coupling medium resolution Fourier transform infrared spectroscopy to high-level electronic structure ab initio calculations. Experimentally a full quantum assignment and accurate integrated absorption cross sections are obtained up to 5000 cm(-1). Ab initio calculations are carried out by using CCSD(T) theory and large basis sets of either the correlation consistent or atomic natural orbital hierarchies. By using vibrational perturbation theory to second order a complete set of vibrational and ro-vibrational parameters is derived from the ab initio quartic anharmonic force fields, which well compares with the spectroscopic constants retrieved experimentally. An excellent agreement between theory and experiment is achieved for vibrational energy levels and integrated absorption cross sections: transition frequencies up to four quanta of vibrational excitation are reproduced with a root mean square deviation (RMSD) of 7 cm(-1) while intensities are predicted within few km mol(-1) from the experiment. Basis set performances and core correlation effects are discussed throughout the paper. Particular attention is focused in the understanding of the anharmonic couplings which rule the vibrational dynamics of the |ν(1)>, |2ν(8)>, |2ν(2)> three levels interacting system. The reliability of the potential energy and dipole moment surfaces in reproducing the vibrational eigenvalues and intensities as well as in modeling the vibrational and ro-vibrational mixings over the whole 400-5000 cm(-1) region is also demonstrated by spectacular spectral simulations carried out by using the ro-vibrational Hamiltonian constants, and the relevant coupling terms, obtained from the perturbation treatment of the ab initio anharmonic force field. The present results suggest CH(2)F(2) as a prototype molecule to test ab initio calculations and theoretical models.

  10. Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm-1 studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations

    NASA Astrophysics Data System (ADS)

    Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Charmet, Andrea Pietropolli; Gambi, Alberto

    2012-06-01

    Difluoromethane (CH2F2, HFC-32) is a molecule used in refrigerant mixtures as a replacement of the more environmentally hazardous, ozone depleting, chlorofluorocarbons. On the other hand, presenting strong vibration-rotation bands in the 9 μm atmospheric window, it is a greenhouse gas which contributes to global warming. In the present work, the vibrational and ro-vibrational properties of CH2F2, providing basic data for its atmospheric modeling, are studied in detail by coupling medium resolution Fourier transform infrared spectroscopy to high-level electronic structure ab initio calculations. Experimentally a full quantum assignment and accurate integrated absorption cross sections are obtained up to 5000 cm-1. Ab initio calculations are carried out by using CCSD(T) theory and large basis sets of either the correlation consistent or atomic natural orbital hierarchies. By using vibrational perturbation theory to second order a complete set of vibrational and ro-vibrational parameters is derived from the ab initio quartic anharmonic force fields, which well compares with the spectroscopic constants retrieved experimentally. An excellent agreement between theory and experiment is achieved for vibrational energy levels and integrated absorption cross sections: transition frequencies up to four quanta of vibrational excitation are reproduced with a root mean square deviation (RMSD) of 7 cm-1 while intensities are predicted within few km mol-1 from the experiment. Basis set performances and core correlation effects are discussed throughout the paper. Particular attention is focused in the understanding of the anharmonic couplings which rule the vibrational dynamics of the |ν1⟩, |2ν8⟩, |2ν2⟩ three levels interacting system. The reliability of the potential energy and dipole moment surfaces in reproducing the vibrational eigenvalues and intensities as well as in modeling the vibrational and ro-vibrational mixings over the whole 400-5000 cm-1 region is also demonstrated by spectacular spectral simulations carried out by using the ro-vibrational Hamiltonian constants, and the relevant coupling terms, obtained from the perturbation treatment of the ab initio anharmonic force field. The present results suggest CH2F2 as a prototype molecule to test ab initio calculations and theoretical models.

  11. Effect of magnetic exchange, double exchange, vibronic coupling, and asymmetry on magnetic properties in d2-d3 mixed-valence dimers

    NASA Astrophysics Data System (ADS)

    Yang, Xiaohua; Hu, Haiquan; Chen, Zhida

    The effect of magnetic exchange, double exchange, vibronic coupling, and asymmetry on magnetic properties of d2-d3 systems is discussed. The temperature-dependent magnetic moment was calculated with the semiclassical adiabatic approach. The results show that the vibronic coupling from the out-of-phase breathing vibration on the metal sites (Piepho, Krausz, and Schatz [PKS] model) and the vibronic coupling from the stretching vibration between the metal sites (P model) favor the localization and delocalization of the "extra" electron in mixed-valence dimers, respectively. The magnetic properties are determined by the interplay among magnetic exchange, double exchange, and vibronic coupling. The results obtained by analyzing d2-d3 systems can be generalized to other full delocalized dinuclear mixed valence systems with a unique transferable electron.

  12. Linking structure and vibrational mode coupling using high-resolution infrared spectroscopy: A comparison of gauche and trans 1-chloro-2-fluoroethane

    NASA Astrophysics Data System (ADS)

    Miller, C. Cameron; Stone, Stephen C.; Philips, Laura A.

    1995-01-01

    The high-resolution infrared spectrum of 1-chloro-2-fluoroethane in a molecular beam was collected over the 2975-2994 cm-1 spectral region. The spectral region of 2975-2981 cm-1 contains a symmetric C-H stretching vibrational band of the gauche conformer containing the 35Cl isotope. The spectral region of 2985-2994 cm-1 contains three vibrational bands of the trans conformer. Two of the three bands are assigned as an antisymmetric C-H stretch of each of the two different chlorine isotopes. The third band is assigned as a symmetric C-H stretch of the 35Cl isotope. The gauche conformer of 1-chloro-2-fluoroethane showed doublet patterns similar to those previously observed in 1,2-difluoroethane. The model for 1,2-difluoroethane is further refined in the present work. These refinements suggest that the coupling dark state in 1,2-difluoroethane is composed of 1 quantum C-H bend, 1 quantum C-C stretch, and 12 quanta of torsion. For 1-chloro-2-fluoroethane the dark state could not be identified due to a small data set. The trans conformer of 1-chloro-2-fluoroethane showed no evidence of mode coupling in the three vibrational bands. Including 2-fluoroethanol in this series of molecules, the extent of vibrational mode coupling did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. A correlation was observed between the degree of intramolecular interaction and vibrational mode coupling.

  13. Enhancement of linear/nonlinear optical responses of molecular vibrations using metal nanoantennas

    NASA Astrophysics Data System (ADS)

    Morichika, Ikki; Kusa, Fumiya; Takegami, Akinobu; Ashihara, Satoshi

    2017-04-01

    Plasmonic enhancements of optical near-fields with metal nanostructures offer extensive potential for amplifying lightmatter interactions. We analytically formulate the enhancement of linear and nonlinear optical responses of molecular vibrations through resonant nanoantennas, based on a coupled-dipole model. We apply the formulae to evaluation of signal enhancement factors in the antenna-enhanced vibrational spectroscopy.

  14. Near-Field Infrared Pump-Probe Imaging of Surface Phonon Coupling in Boron Nitride Nanotubes.

    PubMed

    Gilburd, Leonid; Xu, Xiaoji G; Bando, Yoshio; Golberg, Dmitri; Walker, Gilbert C

    2016-01-21

    Surface phonon modes are lattice vibrational modes of a solid surface. Two common surface modes, called longitudinal and transverse optical modes, exhibit lattice vibration along or perpendicular to the direction of the wave. We report a two-color, infrared pump-infrared probe technique based on scattering type near-field optical microscopy (s-SNOM) to spatially resolve coupling between surface phonon modes. Spatially varying couplings between the longitudinal optical and surface phonon polariton modes of boron nitride nanotubes are observed, and a simple model is proposed.

  15. Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

    NASA Astrophysics Data System (ADS)

    Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

    2018-03-01

    The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

  16. Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy.

    PubMed

    Slenkamp, Karla M; Lynch, Michael S; Van Kuiken, Benjamin E; Brookes, Jennifer F; Bannan, Caitlin C; Daifuku, Stephanie L; Khalil, Munira

    2014-02-28

    Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (νCN) vibrations found in [(NH3)5Ru(III)NCFe(II)(CN)5](-) (FeRu) dissolved in D2O and formamide and [(NC)5Fe(II)CNPt(IV)(NH3)4NCFe(II)(CN)5](4-) (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the νCN modes in the electronic ground state. The FTIR spectra of the νCN modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic νCN modes. The vibrational mode anharmonicities of the individual νCN modes range from 14 to 28 cm(-1). The mixed-mode anharmonicities range from 2 to 14 cm(-1). In general, the bridging νCN mode is most weakly coupled to the radial νCN mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four νCN modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D2O. The νCN modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm(-1). This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the νCN modes in cyanide-bridged transition metal mixed valence complexes.

  17. Theoretical modeling and experimental validation of a torsional piezoelectric vibration energy harvesting system

    NASA Astrophysics Data System (ADS)

    Qian, Feng; Zhou, Wanlu; Kaluvan, Suresh; Zhang, Haifeng; Zuo, Lei

    2018-04-01

    Vibration energy harvesting has been extensively studied in recent years to explore a continuous power source for sensor networks and low-power electronics. Torsional vibration widely exists in mechanical engineering; however, it has not yet been well exploited for energy harvesting. This paper presents a theoretical model and an experimental validation of a torsional vibration energy harvesting system comprised of a shaft and a shear mode piezoelectric transducer. The piezoelectric transducer position on the surface of the shaft is parameterized by two variables that are optimized to obtain the maximum power output. The piezoelectric transducer can work in d 15 mode (pure shear mode), coupled mode of d 31 and d 33, and coupled mode of d 33, d 31 and d 15, respectively, when attached at different angles. Approximate expressions of voltage and power are derived from the theoretical model, which gave predictions in good agreement with analytical solutions. Physical interpretations on the implicit relationship between the power output and the position parameters of the piezoelectric transducer is given based on the derived approximate expression. The optimal position and angle of the piezoelectric transducer is determined, in which case, the transducer works in the coupled mode of d 15, d 31 and d 33.

  18. Method development of damage detection in asymmetric buildings

    NASA Astrophysics Data System (ADS)

    Wang, Yi; Thambiratnam, David P.; Chan, Tommy H. T.; Nguyen, Andy

    2018-01-01

    Aesthetics and functionality requirements have caused most buildings to be asymmetric in recent times. Such buildings exhibit complex vibration characteristics under dynamic loads as there is coupling between the lateral and torsional components of vibration, and are referred to as torsionally coupled buildings. These buildings require three dimensional modelling and analysis. In spite of much recent research and some successful applications of vibration based damage detection methods to civil structures in recent years, the applications to asymmetric buildings has been a challenging task for structural engineers. There has been relatively little research on detecting and locating damage specific to torsionally coupled asymmetric buildings. This paper aims to compare the difference in vibration behaviour between symmetric and asymmetric buildings and then use the vibration characteristics for predicting damage in them. The need for developing a special method to detect damage in asymmetric buildings thus becomes evident. Towards this end, this paper modifies the traditional modal strain energy based damage index by decomposing the mode shapes into their lateral and vertical components and to form component specific damage indices. The improved approach is then developed by combining the modified strain energy based damage indices with the modal flexibility method which was modified to suit three dimensional structures to form a new damage indicator. The procedure is illustrated through numerical studies conducted on three dimensional five-story symmetric and asymmetric frame structures with the same layout, after validating the modelling techniques through experimental testing of a laboratory scale asymmetric building model. Vibration parameters obtained from finite element analysis of the intact and damaged building models are then applied into the proposed algorithms for detecting and locating the single and multiple damages in these buildings. The results obtained from a number of different damage scenarios confirm the feasibility of the proposed vibration based damage detection method for three dimensional asymmetric buildings.

  19. Summary of AH-1G flight vibration data for validation of coupled rotor-fuselage analyses

    NASA Technical Reports Server (NTRS)

    Dompka, R. V.; Cronkhite, J. D.

    1986-01-01

    Under a NASA research program designated DAMVIBS (Design Analysis Methods for VIBrationS), four U. S. helicopter industry participants (Bell Helicopter, Boeing Vertol, McDonnell Douglas Helicopter, and Sikorsky Aircraft) are to apply existing analytical methods 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. Bell Helicopter, as the manufacturer of the AH-1G, was asked to provide pertinent rotor data and to collect the OLS flight vibration data needed to perform the correlations. The analytical representation of the fuselage structure is based on a NASTRAN finite element model (FEM) developed by Bell which has been extensively documented and correlated with ground vibration tests.The AH-1G FEM was provided to each of the participants for use in their coupled rotor-fuselage analyses. This report describes the AH-1G OLS flight test program and provides the flight conditions and measured vibration data to be used by each participant in their correlation effort. In addition, the mechanical, structural, inertial and aerodynamic data for the AH-1G two-bladed teetering main rotor system are presented. Furthermore, modifications to the NASTRAN FEM of the fuselage structure that are necessary to make it compatible with the OLS test article are described. The AH-1G OLS flight test data was found to be well documented and provide a sound basis for evaluating currently existing analysis methods used for calculation of coupled rotor-fuselage vibrations.

  20. Exciton-vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

    NASA Astrophysics Data System (ADS)

    Schröter, M.; Ivanov, S. D.; Schulze, J.; Polyutov, S. P.; Yan, Y.; Pullerits, T.; Kühn, O.

    2015-03-01

    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) method will be given in terms of a stochastic decoupling ansatz. This method has become the standard in exciton-vibrational theory and illustrative examples will be presented as well as a comparison with ML-MCTDH. Applications will be shown for generic model systems as well as for small aggregates mimicking those formed by perylene bisimide dyes. Further, photosynthetic antenna complexes will be discussed, including spectral densities and the role of exciton-vibrational coupling in two-dimensional electronic spectroscopy.

  1. Nonadiabatic couplings in the collisional removal of O(2)(b (1)Sigma(g) (+),v) by O(2).

    PubMed

    Dayou, F; Hernández, M I; Campos-Martínez, J; Hernández-Lamoneda, R

    2010-01-28

    The effect of nonadiabatic couplings on the collisional removal of O(2)(b (1)Sigma(g) (+),v) by O(2)(X (3)Sigma(g) (-), v=0) is investigated. Two-dimensional adiabatic and quasidiabatic potential energy surfaces for the excited dimer states and the corresponding nonadiabatic radial couplings have been computed by means of ab initio calculations. Alternately, a two-state theoretical model, based on the Landau-Zener and Rosen-Zener-Demkov assumptions, has been employed to derive analytical forms for the nonadiabatic couplings and an adiabatic-to-diabatic transformation only depending on a reduced set of adiabatic energy terms. Compared to the ab initio results, the predictions of the model are found to be highly accurate. Quantum dynamics calculations for the removal of the first ten vibrational states of O(2)(b (1)Sigma(g) (+),v) indicate a clear dominant contribution of the vibration-electronic relaxation mechanism relative to the vibration-translation energy transfer. Although the present reduced-dimensionality model precludes any quantitative comparison with experiments, it is found that the removal probabilities for v=1-3 are qualitatively consistent with the experimental observations, once the vibrational structure of the fragments is corrected with spectroscopical terms. Besides, the model served to show how the computation of the adiabatic PESs just at the crossing seam was sufficient to describe the nonadiabatic dynamics related to a given geometrical arrangement. This implies considerable savings in the calculations which will eventually allow for larger accuracy in the ab initio calculations as well as higher dimensional treatments.

  2. Accounting for intra-molecular vibrational modes in open quantum system description of molecular systems.

    PubMed

    Roden, Jan; Strunz, Walter T; Whaley, K Birgitta; Eisfeld, Alexander

    2012-11-28

    Electronic-vibrational dynamics in molecular systems that interact with an environment involve a large number of degrees of freedom and are therefore often described by means of open quantum system approaches. A popular approach is to include only the electronic degrees of freedom into the system part and to couple these to a non-Markovian bath of harmonic vibrational modes that is characterized by a spectral density. Since this bath represents both intra-molecular and external vibrations, it is important to understand how to construct a spectral density that accounts for intra-molecular vibrational modes that couple further to other modes. Here, we address this problem by explicitly incorporating an intra-molecular vibrational mode together with the electronic degrees of freedom into the system part and using the Fano theory for a resonance coupled to a continuum to derive an "effective" bath spectral density, which describes the contribution of intra-molecular modes. We compare this effective model for the intra-molecular mode with the method of pseudomodes, a widely used approach in simulation of non-Markovian dynamics. We clarify the difference between these two approaches and demonstrate that the respective resulting dynamics and optical spectra can be very different.

  3. Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging.

    PubMed

    Mort, Brendan C; Autschbach, Jochen

    2006-08-09

    Vibrational corrections (zero-point and temperature dependent) of the H-D spin-spin coupling constant J(HD) for six transition metal hydride and dihydrogen complexes have been computed from a vibrational average of J(HD) as a function of temperature. Effective (vibrationally averaged) H-D distances have also been determined. The very strong temperature dependence of J(HD) for one of the complexes, [Ir(dmpm)Cp*H2]2 + (dmpm = bis(dimethylphosphino)methane) can be modeled simply by the Boltzmann average of the zero-point vibrationally averaged JHD of two isomers. For this complex and four others, the vibrational corrections to JHD are shown to be highly significant and lead to improved agreement between theory and experiment in most cases. The zero-point vibrational correction is important for all complexes. Depending on the shape of the potential energy and J-coupling surfaces, for some of the complexes higher vibrationally excited states can also contribute to the vibrational corrections at temperatures above 0 K and lead to a temperature dependence. We identify different classes of complexes where a significant temperature dependence of J(HD) may or may not occur for different reasons. A method is outlined by which the temperature dependence of the HD spin-spin coupling constant can be determined with standard quantum chemistry software. Comparisons are made with experimental data and previously calculated values where applicable. We also discuss an example where a low-order expansion around the minimum of a complicated potential energy surface appears not to be sufficient for reproducing the experimentally observed temperature dependence.

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

    NASA Astrophysics Data System (ADS)

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

    2000-06-01

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

  5. Vibrational Power Flow Analysis of Rods and Beams

    NASA Technical Reports Server (NTRS)

    Wohlever, James Christopher; Bernhard, R. J.

    1988-01-01

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

  6. Stability analysis of coupled torsional vibration and pressure in oilwell drillstring system

    NASA Astrophysics Data System (ADS)

    Toumi, S.; Beji, L.; Mlayeh, R.; Abichou, A.

    2018-01-01

    To address security issues in oilwell drillstring system, the drilling operation handling which is in generally not autonomous but ensured by an operator may be drill bit destructive or fatal for the machine. To control of stick-slip phenomenon, the drillstring control at the right speed taking only the drillstring vibration is not sufficient as the mud dynamics and the pressure change around the drill pipes cannot be neglected. A coupled torsional vibration and pressure model is presented, and the well-posedness problem is addressed. As a Partial Differential Equation-Ordinary Differential Equation (PDE-ODE) coupled system, and in order to maintain a non destructive downhole pressure, we investigate the control stability with and without the damping term in the wave PDE. In terms of, the torsional variable, the downhole pressure, and the annulus pressure, the coupled system equilibrium is shown to be exponentially stable.

  7. Cooling a magnetic nanoisland by spin-polarized currents.

    PubMed

    Brüggemann, J; Weiss, S; Nalbach, P; Thorwart, M

    2014-08-15

    We investigate cooling of a vibrational mode of a magnetic quantum dot by a spin-polarized tunneling charge current exploiting the magnetomechanical coupling. The spin-polarized current polarizes the magnetic nanoisland, thereby lowering its magnetic energy. At the same time, Ohmic heating increases the vibrational energy. A small magnetomechanical coupling then permits us to remove energy from the vibrational motion and cooling is possible. We find a reduction of the vibrational energy below 50% of its equilibrium value. The lowest vibration temperature is achieved for a weak electron-vibration coupling and a comparable magnetomechanical coupling. The cooling rate increases at first with the magnetomechanical coupling and then saturates.

  8. Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

    NASA Astrophysics Data System (ADS)

    Perlík, Václav; Seibt, Joachim; Cranston, Laura J.; Cogdell, Richard J.; Lincoln, Craig N.; Savolainen, Janne; Šanda, František; Mančal, Tomáš; Hauer, Jürgen

    2015-06-01

    The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system's Hamiltonian, reproduces all measured quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.

  9. Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Singhal, Surendra N.

    1992-01-01

    A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

  10. Synchronous dynamics of a coupled shaft/bearing/housing system with auxiliary support from a clearance bearing: Analysis and experiment

    NASA Technical Reports Server (NTRS)

    Lawen, James L., Jr.; Flowers, George T.

    1995-01-01

    This study examines the response of a flexible rotor supported by load sharing between linear bearings and an auxiliary clearance bearing. The objective is to develop a better understanding of the dynamical behavior of a magnetic bearing supported rotor system interacting with auxiliary bearings during a critical operating condition. Of particular interest is the effect of coupling between the bearing/housing and shaft vibration on the rotordynamical responses. A simulation model is developed and a number of studies are performed for various parametric configurations. An experimental investigation is also conducted to compare and verify the rotordynamic behavior predicted by the simulation studies. A strategy for reducing synchronous shaft vibration through appropriate design of coupled shaft/bearing/housing vibration modes is identified.

  11. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: Electronic versus vibrational coherence

    NASA Astrophysics Data System (ADS)

    Plenio, M. B.; Almeida, J.; Huelga, S. F.

    2013-12-01

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  12. The NASA/Industry Design Analysis Methods for Vibrations (DAMVIBS) Program - A government overview. [of rotorcraft technology development using finite element method

    NASA Technical Reports Server (NTRS)

    Kvaternik, Raymond G.

    1992-01-01

    An overview is presented of government contributions to the program called Design Analysis Methods for Vibrations (DAMV) which attempted to develop finite-element-based analyses of rotorcraft vibrations. NASA initiated the program with a finite-element modeling program for the CH-47D tandem-rotor helicopter. The DAMV program emphasized four areas including: airframe finite-element modeling, difficult components studies, coupled rotor-airframe vibrations, and airframe structural optimization. Key accomplishments of the program include industrywide standards for modeling metal and composite airframes, improved industrial designs for vibrations, and the identification of critical structural contributors to airframe vibratory responses. The program also demonstrated the value of incorporating secondary modeling details to improving correlation, and the findings provide the basis for an improved finite-element-based dynamics design-analysis capability.

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

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

    Mortisugu, Kei; Njunda, Brigitte; Smith, Jeremy C

    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 whilemore » 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.« less

  14. Unstable force analysis for induction motor eccentricity

    NASA Astrophysics Data System (ADS)

    Han, Xu; Palazzolo, Alan

    2016-05-01

    The increasing popularity of motors in machinery trains has led to an intensified interest in the forces they produce that may influence machinery vibration. Motor design typically assumes a uniform air gap, however in practice all motors operate with the rotor slightly displaced from the motor centerline in what is referred to as an eccentric position. Rotor center eccentricity can cause a radially unbalanced magnetic field when the motor is operating. This will results in both a radial force pulling the motor further away from the center, and a tangential force which can induce a vibration stability problem. In this paper, a magnetic equivalent circuit MEC modeling method is proposed to calculate both the radial and tangential motor eccentric force. The treatment of tangential force determination is rarely addressed, but it is very important for rotordynamic vibration stability evaluation. The proposed model is also coupled with the motor electric circuit model to provide capability for transient vibration simulations. FEM is used to verify the MEC model. A parametric study is performed on the motor radial and tangential eccentric forces. Also a Jeffcott rotor model is used to study the influence of the motor eccentric force on mechanical vibration stability and nonlinear behavior. Furthermore, a stability criteria for the bearing damping is provided. The motor radial and tangential eccentric forces are both curved fitted to include their nonlinearity in time domain transient simulation for both a Jeffcott rotor model and a geared machinery train with coupled torsional-lateral motion. Nonlinear motions are observed, including limit cycles and bifurcation induced vibration amplitude jumps.

  15. Modeling the benefits of an artificial gravity countermeasure coupled with exercise and vibration

    NASA Astrophysics Data System (ADS)

    Goel, Rahul; Kaderka, Justin; Newman, Dava

    2012-01-01

    The current, system-specific countermeasures to space deconditioning have limited success with the musculoskeletal system in long duration missions. Artificial gravity (AG) that is produced by short radius centrifugation has been hypothesized as an effective countermeasure because it reintroduces an acceleration field in space; however, AG alone might not be enough stimuli to preserve the musculoskeletal system. A novel combination of AG coupled with one-legged squats on a vibrating platform may preserve muscle and bone in the lower limbs to a greater extent than the current exercise paradigm. The benefits of the proposed countermeasure have been analyzed through the development of a simulation platform. Ground reaction force data and motion data were collected using a motion capture system while performing one-legged and two-legged squats in 1-G. The motion was modeled in OpenSim, an open-source software, and inverse dynamics were applied in order to determine the muscle and reaction forces of lower limb joints. Vibration stimulus was modeled by adding a 20 Hz sinusoidal force of 0.5 body weight to the force plate data. From the numerical model in a 1-G acceleration field, muscle forces for quadriceps femoris, plantar flexors and glutei increased substantially for one-legged squats with vibration compared to one- or two-legged squats without vibration. Additionally, joint reaction forces for one-legged squats with vibration also increased significantly compared to two-legged squats with or without vibration. Higher muscle forces and joint reaction forces might help to stimulate muscle activation and bone modeling and thus might reduce musculoskeletal deconditioning. These results indicate that the proposed countermeasure might surpass the performance of the current space countermeasures and should be further studied as a method of mitigating musculoskeletal deconditioning.

  16. Towards a global model of spin-orbit coupling in the halocarbenes

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

    Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

    We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

  17. Synchronous dynamics of a coupled shaft/bearing/housing system with auxiliary support from a clearance bearing: Analysis and experiment

    NASA Technical Reports Server (NTRS)

    Lawen, James, Jr.; Flowers, George T.

    1992-01-01

    This study examines the response of a flexible rotor supported by load sharing between linear bearings and an auxiliary clearance bearing. The objective of the work is to develop a better understanding of the dynamical behavior of a magnetic bearing supported rotor system interacting with auxiliary bearings during a critical operating condition. Of particular interest is the effect of coupling between the bearing/housing and shaft vibration on the rotordynamical responses. A simulation model is developed and a number of studies are performed for various parametric configurations. An experimental investigation is also conducted to compare and verify the rotordynamic behavior predicted by the simulation studies. A strategy for reducing synchronous shaft vibration through appropriate design of coupled shaft/bearing/housing vibration modes is identified. The results are presented and discussed.

  18. Symplectic analysis of vertical random vibration for coupled vehicle track systems

    NASA Astrophysics Data System (ADS)

    Lu, F.; Kennedy, D.; Williams, F. W.; Lin, J. H.

    2008-10-01

    A computational model for random vibration analysis of vehicle-track systems is proposed and solutions use the pseudo excitation method (PEM) and the symplectic method. The vehicle is modelled as a mass, spring and damping system with 10 degrees of freedom (dofs) which consist of vertical and pitching motion for the vehicle body and its two bogies and vertical motion for the four wheelsets. The track is treated as an infinite Bernoulli-Euler beam connected to sleepers and hence to ballast and is regarded as a periodic structure. Linear springs couple the vehicle and the track. Hence, the coupled vehicle-track system has only 26 dofs. A fixed excitation model is used, i.e. the vehicle does not move along the track but instead the track irregularity profile moves backwards at the vehicle velocity. This irregularity is assumed to be a stationary random process. Random vibration theory is used to obtain the response power spectral densities (PSDs), by using PEM to transform this random multiexcitation problem into a deterministic harmonic excitation one and then applying symplectic solution methodology. Numerical results for an example include verification of the proposed method by comparing with finite element method (FEM) results; comparison between the present model and the traditional rigid track model and; discussion of the influences of track damping and vehicle velocity.

  19. Anomalous torsional tripling in the ν9 and ν10 CH3-deformation modes of ethane 12CH313CH3

    NASA Astrophysics Data System (ADS)

    Lattanzi, F.; di Lauro, C.

    2017-12-01

    We have investigated the anomalous torsional behavior in the coupled ν9 and ν10 vibrational fundamentals of 12CH313CH3, both states exhibiting a splitting into three components, instead of two, only in those rotational levels which are very close to resonance. We conclude that the intrinsic additional splitting, which occurs in the E-torsional components, for these two vibrational states is too small to be detected in the high resolution infrared spectrum, but it is substantively enhanced by their coupling. It is shown that this effect requires the simultaneous action of torsion independent operators, such as Fermi-type and z-Coriolis, not allowed in the more symmetric isotopologue 12CH312CH3, and torsion dependent operators, such as torsional-Coriolis, connecting the two vibrational states. Our conclusions lead to a simple model for the coupling of ν9 and ν10, with effective Fermi-type matrix elements W for the A-torsional components, and W ± w for the two pairs of E-torsional components. This causes the additional splitting in the E-pairs. This model is consistent with the mechanism causing the Coriolis-dependent decrease of the A-E torsional splitting in degenerate vibrational states. Exploratory calculations were performed making use of results from a normal mode analysis, showing that the effects predictable by the proposed model are of the correct order of magnitude compared to the observed features, with coupling parameter values reasonably consistent with those determined by the least squares fit of the observed transition wavenumbers.

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

    Liu, Rumeng; Wang, Lifeng, E-mail: walfe@nuaa.edu.cn

    The nonlinear thermal vibration behavior of a single-walled carbon nanotube (SWCNT) is investigated by molecular dynamics simulation and a nonlinear, nonplanar beam model. Whirling motion with energy transfer between flexural motions is found in the free vibration of the SWCNT excited by the thermal motion of atoms where the geometric nonlinearity is significant. A nonlinear, nonplanar beam model considering the coupling in two vertical vibrational directions is presented to explain the whirling motion of the SWCNT. Energy in different vibrational modes is not equal even over a time scale of tens of nanoseconds, which is much larger than the periodmore » of fundamental natural vibration of the SWCNT at equilibrium state. The energy of different modes becomes equal when the time scale increases to the microsecond range.« less

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface

    NASA Astrophysics Data System (ADS)

    Bouakline, F.; Lorenz, U.; Melani, G.; Paramonov, G. K.; Saalfrank, P.

    2017-10-01

    In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H-Si and D-Si bending modes, coupled to a fully H(D)-covered Si(100)-( 2 × 1 ) surface, at zero temperature. The D-Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H-Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D-Si system and both one- and two-phonon interaction terms in the case of H-Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi's golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D-Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H-Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D-Si and a couple of ps for H-Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show a net exponential decay of the time-dependent survival probability for the H-Si initial vibrational state, allowing an easy extraction of the bending mode "lifetime." This is in contrast with the D-Si system, whose survival probability exhibits a non-monotonic decay, making it difficult to define such a lifetime. This different behavior of the vibrational decay is rationalized in terms of the power spectrum of the adsorbate-surface system. In the case of D-Si, it consists of several, non-uniformly distributed peaks around the bending mode frequency, whereas the H-Si spectrum exhibits a single Lorentzian lineshape, whose width corresponds to the calculated lifetime. The present work gives some insight into mechanisms of vibration-phonon coupling at surfaces. It also serves as a benchmark for multidimensional system-bath quantum dynamics, for comparison with approximate schemes such as reduced, open-system density matrix theory (where the bath is traced out and a Liouville-von Neumann equation is solved) or approximate wavefunction methods to solve the combined system-bath Schrödinger equation.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27874010

  4. Vortex-induced vibrations mitigation through a nonlinear energy sink

    NASA Astrophysics Data System (ADS)

    Dai, H. L.; Abdelkefi, A.; Wang, L.

    2017-01-01

    The passive suppression mechanism of the vortex-induced vibrations (VIV) of the cylinder by means of an essentially nonlinear element, the nonlinear energy sink (NES) is investigated. The flow-induced loads on the cylinder are modeled using a prevalent van der Pol oscillator which is experimentally validated, coupling to the structural vibrations in the presence of the NES structure. Based on the coupled nonlinear governing equations of motion, the performed analysis indicates that the mass and damping of NES have significant effects on the coupled frequency and damping of the aero-elastic system, leading to the shift of synchronization region and mitigation of vibration responses. It is demonstrated that the coupled system of flow-cylinder-NES behaves resonant interactions, showing periodic, aperiodic, and multiple stable responses which depend on the values of the NES parameters. In addition, it is found that the occurrence of multiple stable responses can enhance the nonlinear energy pumping effect, resulting in the increment of transferring energy from the flow via the cylinder to the NES, which is related to the essential nonlinearity of the sink stiffness. This results in a significant reduction in the VIV amplitudes of the primary circular cylinder for appropriate NES parameter values.

  5. Disk/Shaft Vibration Induced by Bearing Clearance Effects: Analysis and Experiment

    NASA Technical Reports Server (NTRS)

    Flowers, George T.; Wu, Fangsheng

    1996-01-01

    This study presents an investigation of the dynamics of a rotor system with bearing clearance. Of particular interest is the influence of such effects on coupled disk/shaft vibration. Experimental results for a rotor system with a flexible disk are presented and compared to predictions from a simulation model. Some insights and conclusions are obtained with regard to the conditions under which such vibration may be significant.

  6. Optimization design of high power ultrasonic circular ring radiator in coupled vibration.

    PubMed

    Xu, Long; Lin, Shuyu; Hu, Wenxu

    2011-10-01

    This paper presents a new high power ultrasonic (HPU) radiator, which consists of a transducer, an ultrasonic horn, and a metal circular ring. Both the transducer and horn in longitudinal vibrations are used to drive a metal circular ring in a radial-axial coupled vibration. This coupled vibration cannot only generate ultrasound in both the radial and axial directions, but also focus the ultrasound inside the circular ring. Except for the radial-axial coupled vibration mode, the third longitudinal harmonic vibration mode with relative large vibration amplitude is also detected, which can be used as another operation mode. Overall, the HPU with these two vibration modes should have good potential to be applied in liquid processing, such as sonochemistry, ultrasonic cleaning, and Chinese herbal medicine extraction. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Analysis on Coupled Vibration of a Radially Polarized Piezoelectric Cylindrical Transducer

    PubMed Central

    Xu, Jie; Lin, Shuyu; Ma, Yan; Tang, Yifan

    2017-01-01

    Coupled vibration of a radially polarized piezoelectric cylindrical transducer is analyzed with the mechanical coupling coefficient method. The method has been utilized to analyze the metal cylindrical transducer and the axially polarized piezoelectric cylindrical transducer. In this method, the mechanical coupling coefficient is introduced and defined as the stress ratio in different directions. Coupled vibration of the cylindrical transducer is regarded as the interaction of the plane radial vibration of a ring and the longitudinal vibration of a tube. For the radially polarized piezoelectric cylindrical transducer, the radial and longitudinal electric admittances as functions of mechanical coupling coefficients and angular frequencies are derived, respectively. The resonance frequency equations are obtained. The dependence of resonance frequency and mechanical coupling coefficient on aspect ratio is studied. Vibrational distributions on the surfaces of the cylindrical transducer are presented with experimental measurement. On the support of experiments, this work is verified and provides a theoretical foundation for the analysis and design of the radially polarized piezoelectric cylindrical transducer. PMID:29292785

  8. Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy

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

    Slenkamp, Karla M.; Lynch, Michael S.; Van Kuiken, Benjamin E.

    2014-02-28

    Using polarization-selective two-dimensional infrared (2D IR) spectroscopy, we measure anharmonic couplings and angles between the transition dipole moments of the four cyanide stretching (ν{sub CN}) vibrations found in [(NH{sub 3}){sub 5}Ru{sup III}NCFe{sup II}(CN){sub 5}]{sup −} (FeRu) dissolved in D{sub 2}O and formamide and [(NC){sub 5}Fe{sup II}CNPt{sup IV}(NH{sub 3}){sub 4}NCFe{sup II}(CN){sub 5}]{sup 4−} (FePtFe) dissolved in D{sub 2}O. These cyanide-bridged transition metal complexes serve as model systems for studying the role of high frequency vibrational modes in ultrafast photoinduced charge transfer reactions. Here, we focus on the spectroscopy of the ν{sub CN} modes in the electronic ground state. The FTIR spectramore » of the ν{sub CN} modes of the bimetallic and trimetallic systems are strikingly different in terms of frequencies, amplitudes, and lineshapes. The experimental 2D IR spectra of FeRu and FePtFe and their fits reveal a set of weakly coupled anharmonic ν{sub CN} modes. The vibrational mode anharmonicities of the individual ν{sub CN} modes range from 14 to 28 cm{sup −1}. The mixed-mode anharmonicities range from 2 to 14 cm{sup −1}. In general, the bridging ν{sub CN} mode is most weakly coupled to the radial ν{sub CN} mode, which involves the terminal CN ligands. Measurement of the relative transition dipole moments of the four ν{sub CN} modes reveal that the FeRu molecule is almost linear in solution when dissolved in formamide, but it assumes a bent geometry when dissolved in D{sub 2}O. The ν{sub CN} modes are modelled as bilinearly coupled anharmonic oscillators with an average coupling constant of 6 cm{sup −1}. This study elucidates the role of the solvent in modulating the molecular geometry and the anharmonic vibrational couplings between the ν{sub CN} modes in cyanide-bridged transition metal mixed valence complexes.« less

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

    NASA Astrophysics Data System (ADS)

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

    2017-07-01

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

  10. Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

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

    Perlík, Václav; Seibt, Joachim; Šanda, František

    The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system’s Hamiltonian, reproduces all measuredmore » quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.« less

  11. Research on mining truck vibration control based on particle damping

    NASA Astrophysics Data System (ADS)

    Liming, Song; Wangqiang, Xiao; Zeguang, Li; Haiquan, Guo; Zhe, Yang

    2018-03-01

    More and more attentions were got by people about the research on mining truck driving comfort. As the vibration transfer terminal, cab is one of the important part of mining truck vibration control. In this paper, based on particle damping technology and its application characteristics, through the discrete element modeling, DEM & FEM coupling simulation and analysis, lab test verification and actual test in the truck, particle damping technology was successfully used in driver’s seat base of mining truck, cab vibration was reduced obviously, meanwhile applied research and method of particle damping technology in mining truck vibration control were provided.

  12. Multi-Source Generation Mechanisms for Low Frequency Noise Induced by Flood Discharge and Energy Dissipation from a High Dam with a Ski-Jump Type Spillway

    PubMed Central

    Lian, Jijian; Zhang, Wenjiao; Ma, Bin; Liu, Dongming

    2017-01-01

    As excess water is discharged from a high dam, low frequency noise (air pulsation lower than 10 Hz, LFN) is generated and propagated in the surrounding areas, causing environmental hazards such as the vibration of windows and doors and the discomfort of local residents. To study the generation mechanisms and key influencing factors of LFN induced by flood discharge and energy dissipation from a high dam with a ski-jump type spillway, detailed prototype observations and analyses of LFN are carried out. The discharge flow field is simulated and analyzed using a gas-liquid turbulent flow model. The acoustic response characteristics of the air cavity, which is formed between the discharge nappe and dam body, are analyzed using an acoustic numerical model. The multi-sources generation mechanisms are first proposed basing on the prototype observation results, vortex sound model, turbulent flow model and acoustic numerical model. Two kinds of sources of LFN are studied. One comes from the energy dissipation of submerged jets in the plunge pool, the other comes from nappe-cavity coupled vibration. The results of the analyses reveal that the submerged jets in the plunge pool only contribute to an on-site LFN energy of 0–1.0 Hz, and the strong shear layers around the high-velocity submerged jets and wall jet development areas are the main acoustic source regions of LFN in the plunge pool. In addition, the nappe-cavity coupled vibration, which is induced when the discharge nappe vibrates with close frequency to the model frequency of the cavity, can induce on-site LFN energy with wider frequency spectrum energy within 0–4.0 Hz. By contrast, the contribution degrees to LFN energy from two acoustic sources are almost same, while the contribution degree from nappe-cavity coupled vibration is slightly higher. PMID:29189750

  13. Modeling and Application of Piezoelectric Materials in Repair of Engineering Structures

    NASA Astrophysics Data System (ADS)

    Wu, Nan

    The shear horizontal wave propagation and vibration of piezoelectric coupled structures under an open circuit electrical boundary condition are studied. Following the studies on the dynamic response of piezoelectric coupled structures, the repair of both crack/notch and delaminated structures using piezoelectric materials are conducted. The main contribution was the proposed the active structural repair design using piezoelectric materials for different structures. An accurate model for the piezoelectric effect on the shear wave propagation is first proposed to guide the application of piezoelectric materials as sensors and actuators in the repair of engineering structures. A vibration analysis of a circular steel substrate surface bonded by a piezoelectric layer with open circuit is presented. The mechanical models and solutions for the wave propagation and vibration analysis of piezoelectric coupled structures are established based on the Kirchhoff plate model and Maxwell equation. Following the studies of the dynamic response of piezoelectric coupled structures, a close-loop feedback control repair methodology is proposed for a vibrating delaminated beam structure by using piezoelectric patches. The electromechanical characteristic of the piezoelectric material is employed to induce a local shear force above the delamination area via an external actuation voltage, which is designed as a feedback of the deflection of a vibrating beam and a delaminated plate, to reduce the stress singularity around the delamination tips. Furthermore, an experimental realization of an effective repair of a notched cantilever beam structure subjected to a dynamic loading by use of piezoelectric patches is reported. A small piezoelectric patch used as a sensor is placed on the notch position to monitor the severity of the stress singularity around the notch area by measuring the charge output on the sensor, and a patch used as an actuator is located around the notch area to generate a required bending moment by employing an actuation voltage to reduce the stress singularity at the notch position. The actuation voltage on the actuator is designed from a feedback circuit process. Through the analytical model, FEM simulation and experimental studies, the active structural repair method using piezoelectric materials is realized and proved to be feasible and practical.

  14. Deducing Electronic Unit Internal Response During a Vibration Test Using a Lumped Parameter Modeling Approach

    NASA Technical Reports Server (NTRS)

    Van Dyke, Michael B.

    2014-01-01

    During random vibration testing of electronic boxes there is often a desire to know the dynamic response of certain internal printed wiring boards (PWBs) for the purpose of monitoring the response of sensitive hardware or for post-test forensic analysis in support of anomaly investigation. Due to restrictions on internally mounted accelerometers for most flight hardware there is usually no means to empirically observe the internal dynamics of the unit, so one must resort to crude and highly uncertain approximations. One common practice is to apply Miles Equation, which does not account for the coupled response of the board in the chassis, resulting in significant over- or under-prediction. This paper explores the application of simple multiple-degree-of-freedom lumped parameter modeling to predict the coupled random vibration response of the PWBs in their fundamental modes of vibration. A simple tool using this approach could be used during or following a random vibration test to interpret vibration test data from a single external chassis measurement to deduce internal board dynamics by means of a rapid correlation analysis. Such a tool might also be useful in early design stages as a supplemental analysis to a more detailed finite element analysis to quickly prototype and analyze the dynamics of various design iterations. After developing the theoretical basis, a lumped parameter modeling approach is applied to an electronic unit for which both external and internal test vibration response measurements are available for direct comparison. Reasonable correlation of the results demonstrates the potential viability of such an approach. Further development of the preliminary approach presented in this paper will involve correlation with detailed finite element models and additional relevant test data.

  15. Proposal for quantum many-body simulation and torsional matter-wave interferometry with a levitated nanodiamond

    NASA Astrophysics Data System (ADS)

    Ma, Yue; Hoang, Thai M.; Gong, Ming; Li, Tongcang; Yin, Zhang-qi

    2017-08-01

    Hybrid spin-mechanical systems have great potential in sensing, macroscopic quantum mechanics, and quantum information science. In order to induce strong coupling between an electron spin and the center-of-mass motion of a mechanical oscillator, a large magnetic gradient usually is required, which is difficult to achieve. Here we show that strong coupling between the electron spin of a nitrogen-vacancy (NV) center and the torsional vibration of an optically levitated nanodiamond can be achieved in a uniform magnetic field. Thanks to the uniform magnetic field, multiple spins can strongly couple to the torsional vibration at the same time. We propose utilizing this coupling mechanism to realize the Lipkin-Meshkov-Glick (LMG) model by an ensemble of NV centers in a levitated nanodiamond. The quantum phase transition in the LMG model and finite number effects can be observed with this system. We also propose generating torsional superposition states and realizing torsional matter-wave interferometry with spin-torsional coupling.

  16. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer

    NASA Astrophysics Data System (ADS)

    Tiwari, Vivek; Peters, William K.; Jonas, David M.

    2017-10-01

    Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

  17. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. I. Theory for a dimer.

    PubMed

    Tiwari, Vivek; Peters, William K; Jonas, David M

    2017-10-21

    Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.

  18. A Case Study of Dynamic Response Analysis and Safety Assessment for a Suspended Monorail System.

    PubMed

    Bao, Yulong; Li, Yongle; Ding, Jiajie

    2016-11-10

    A suspended monorail transit system is a category of urban rail transit, which is effective in alleviating traffic pressure and injury prevention. Meanwhile, with the advantages of low cost and short construction time, suspended monorail transit systems show vast potential for future development. However, the suspended monorail has not been systematically studied in China, and there is a lack of relevant knowledge and analytical methods. To ensure the health and reliability of a suspended monorail transit system, the driving safety of vehicles and structure dynamic behaviors when vehicles are running on the bridge should be analyzed and evaluated. Based on the method of vehicle-bridge coupling vibration theory, the finite element method (FEM) software ANSYS and multi-body dynamics software SIMPACK are adopted respectively to establish the finite element model for bridge and the multi-body vehicle. A co-simulation method is employed to investigate the vehicle-bridge coupling vibration for the transit system. The traffic operation factors, including train formation, track irregularity and tire stiffness, are incorporated into the models separately to analyze the bridge and vehicle responses. The results show that the coupling of dynamic effects of the suspended monorail system between vehicle and bridge are significant in the case studied, and it is strongly suggested to take necessary measures for vibration suppression. The simulation of track irregularity is a critical factor for its vibration safety, and the track irregularity of A-level road roughness negatively influences the system vibration safety.

  19. A Case Study of Dynamic Response Analysis and Safety Assessment for a Suspended Monorail System

    PubMed Central

    Bao, Yulong; Li, Yongle; Ding, Jiajie

    2016-01-01

    A suspended monorail transit system is a category of urban rail transit, which is effective in alleviating traffic pressure and injury prevention. Meanwhile, with the advantages of low cost and short construction time, suspended monorail transit systems show vast potential for future development. However, the suspended monorail has not been systematically studied in China, and there is a lack of relevant knowledge and analytical methods. To ensure the health and reliability of a suspended monorail transit system, the driving safety of vehicles and structure dynamic behaviors when vehicles are running on the bridge should be analyzed and evaluated. Based on the method of vehicle-bridge coupling vibration theory, the finite element method (FEM) software ANSYS and multi-body dynamics software SIMPACK are adopted respectively to establish the finite element model for bridge and the multi-body vehicle. A co-simulation method is employed to investigate the vehicle-bridge coupling vibration for the transit system. The traffic operation factors, including train formation, track irregularity and tire stiffness, are incorporated into the models separately to analyze the bridge and vehicle responses. The results show that the coupling of dynamic effects of the suspended monorail system between vehicle and bridge are significant in the case studied, and it is strongly suggested to take necessary measures for vibration suppression. The simulation of track irregularity is a critical factor for its vibration safety, and the track irregularity of A-level road roughness negatively influences the system vibration safety. PMID:27834923

  20. Vibration-Induced Errors in MEMS Tuning Fork Gyroscopes with Imbalance.

    PubMed

    Fang, Xiang; Dong, Linxi; Zhao, Wen-Sheng; Yan, Haixia; Teh, Kwok Siong; Wang, Gaofeng

    2018-05-29

    This paper discusses the vibration-induced error in non-ideal MEMS tuning fork gyroscopes (TFGs). Ideal TFGs which are thought to be immune to vibrations do not exist, and imbalance between two gyros of TFGs is an inevitable phenomenon. Three types of fabrication imperfections (i.e., stiffness imbalance, mass imbalance, and damping imbalance) are studied, considering different imbalance radios. We focus on the coupling types of two gyros of TFGs in both drive and sense directions, and the vibration sensitivities of four TFG designs with imbalance are simulated and compared. It is found that non-ideal TFGs with two gyros coupled both in drive and sense directions (type CC TFGs) are the most insensitive to vibrations with frequencies close to the TFG operating frequencies. However, sense-axis vibrations with in-phase resonant frequencies of a coupled gyros system result in severe error outputs to TFGs with two gyros coupled in the sense direction, which is mainly attributed to the sense capacitance nonlinearity. With increasing stiffness coupled ratio of the coupled gyros system, the sensitivity to vibrations with operating frequencies is cut down, yet sensitivity to vibrations with in-phase frequencies is amplified.

  1. Numerical Investigation of Flapwise-Torsional Vibration Model of a Smart Section Blade with Microtab

    DOE PAGES

    Li, Nailu; Balas, Mark J.; Yang, Hua; ...

    2015-01-01

    This paper presents a method to develop an aeroelastic model of a smart section blade equipped with microtab. The model is suitable for potential passive vibration control study of the blade section in classic flutter. Equations of the model are described by the nondimensional flapwise and torsional vibration modes coupled with the aerodynamic model based on the Theodorsen theory and aerodynamic effects of the microtab based on the wind tunnel experimental data. The aeroelastic model is validated using numerical data available in the literature and then utilized to analyze the microtab control capability on flutter instability case and divergence instabilitymore » case. The effectiveness of the microtab is investigated with the scenarios of different output controllers and actuation deployments for both instability cases. The numerical results show that the microtab can effectively suppress both vibration modes with the appropriate choice of the output feedback controller.« less

  2. Numerical Investigation of Flapwise-Torsional Vibration Model of a Smart Section Blade with Microtab

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

    Li, Nailu; Balas, Mark J.; Yang, Hua

    2015-01-01

    This study presents a method to develop an aeroelastic model of a smart section blade equipped with microtab. The model is suitable for potential passive vibration control study of the blade section in classic flutter. Equations of the model are described by the nondimensional flapwise and torsional vibration modes coupled with the aerodynamic model based on the Theodorsen theory and aerodynamic effects of the microtab based on the wind tunnel experimental data. The aeroelastic model is validated using numerical data available in the literature and then utilized to analyze the microtab control capability on flutter instability case and divergence instabilitymore » case. The effectiveness of the microtab is investigated with the scenarios of different output controllers and actuation deployments for both instability cases. The numerical results show that the microtab can effectively suppress both vibration modes with the appropriate choice of the output feedback controller.« less

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

    NASA Astrophysics Data System (ADS)

    Sugawara, Sumio; Sasaki, Yoshifumi; Kudo, Subaru

    2018-07-01

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

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

    Gali, Adam; Demján, Tamás; Vörös, Márton

    The development of theories and methods devoted to the accurate calculation of the electronic quasi-particle states and levels of molecules, clusters and solids is of prime importance to interpret the experimental data. These quantum systems are often modelled by using the Born–Oppenheimer approximation where the coupling between the electrons and vibrational modes is not fully taken into account, and the electrons are treated as pure quasi-particles. Here, we show that in small diamond cages, called diamondoids, the electron–vibration coupling leads to the breakdown of the electron quasi-particle picture. More importantly, we demonstrate that the strong electron–vibration coupling is essential tomore » properly describe the overall lineshape of the experimental photoemission spectrum. This cannot be obtained by methods within Born–Oppenheimer approximation. Furthermore, we deduce a link between the vibronic states found by our many-body perturbation theory approach and the well-known Jahn–Teller effect.« less

  5. Evaluation of Ground Vibrations Induced by Military Noise Sources

    DTIC Science & Technology

    2006-08-01

    1 Task 2—Determine the acoustic -to-seismic coupling coefficients C1 and C2 ...................... 1 Task 3—Computational modeling ...Determine the acoustic -to-seismic coupling coefficients C1 and C2 ....................45 Task 3—Computational modeling of acoustically induced ground...ground conditions. Task 3—Computational modeling of acoustically induced ground motion The simple model of blast sound interaction with the

  6. Transverse Vibration of Tapered Single-Walled Carbon Nanotubes Embedded in Viscoelastic Medium

    NASA Astrophysics Data System (ADS)

    Lei, Y. J.; Zhang, D. P.; Shen, Z. B.

    2017-12-01

    Based on the nonlocal theory, Euler-Bernoulli beam theory and Kelvin viscoelastic foundation model, free transverse vibration is studied for a tapered viscoelastic single-walled carbon nanotube (visco-SWCNT) embedded in a viscoelastic medium. Firstly, the governing equations for vibration analysis are established. And then, we derive the natural frequencies in closed form for SWCNTs with arbitrary boundary conditions by applying transfer function method and perturbation method. Numerical results are also presented to discuss the effects of nonlocal parameter, relaxation time and taper parameter of SWCNTs, and material property parameters of the medium. This study demonstrates that the proposed model is available for vibration analysis of the tapered SWCNTs-viscoelastic medium coupling system.

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

    Wykes, M., E-mail: mikewykes@gmail.com; Parambil, R.; Gierschner, J.

    Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescencemore » spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.« less

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

    NASA Astrophysics Data System (ADS)

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

    2018-04-01

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

  9. Generalized viscothermoelasticity theory of dual-phase-lagging model for damping analysis in circular micro-plate resonators

    NASA Astrophysics Data System (ADS)

    Grover, D.; Seth, R. K.

    2018-05-01

    Analysis and numerical results are presented for the thermoelastic dissipation of a homogeneous isotropic, thermally conducting, Kelvin-Voigt type circular micro-plate based on Kirchhoff's Love plate theory utilizing generalized viscothermoelasticity theory of dual-phase-lagging model. The analytical expressions for thermoelastic damping of vibration and frequency shift are obtained for generalized dual-phase-lagging model and coupled viscothermoelastic plates. The scaled thermoelastic damping has been illustrated in case of circular plate and axisymmetric circular plate for fixed aspect ratio for clamped and simply supported boundary conditions. It is observed that the damping of vibrations significantly depend on time delay and mechanical relaxation times in addition to thermo-mechanical coupling in circular plate under resonance conditions and plate dimensions.

  10. Vibration analysis of the SA349/2 helicopter

    NASA Technical Reports Server (NTRS)

    Heffernan, Ruth; Precetti, Dominique; Johnson, Wayne

    1991-01-01

    Helicopter airframe vibration is examined using calculations and measurements for the SA349/2 research helicopter. The hub loads, which transmit excitations to the fuselage, are predicted using a comprehensive rotorcraft analysis and correlated with measuring hub loads. The predicted and measured hub loads are then coupled with finite element models representing the SA349/2 fuselage. The resulting vertical acceleration at the pilot seat is examined. Adjustments are made to the airframe structural models to examine the sensitivity of predicted vertical acceleration to the model. Changes of a few percent to the damping and frequency of specific models lead to large reductions in predicted vibration, and to major improvements in the correlations with measured pilot-seat vertical acceleration.

  11. A test of the significance of intermolecular vibrational coupling in isotopic fractionation

    DOE PAGES

    Herman, Michael F.; Currier, Robert P.; Peery, Travis B.; ...

    2017-07-15

    Intermolecular coupling of dipole moments is studied for a model system consisting of two diatomic molecules (AB monomers) arranged co-linearly and which can form non-covalently bound dimers. The dipolar coupling is a function of the bond length in each molecule as well as of the distance between the centers-of-mass of the two molecules. The calculations show that intermolecular coupling of the vibrations results in an isotope-dependent modification of the AB-AB intermolecular potential. This in turn alters the energies of the low-lying bound states of the dimers, producing isotope-dependent changes in the AB-AB dimer partition function. Explicit inclusion of intermolecular vibrationalmore » coupling then changes the predicted gas-dimer isotopic fractionation. In addition, a mass dependence in the intermolecular potential can also result in changes in the number of bound dimer states in an equilibrium mixture. This in turn leads to a significant dimer population shift in the model monomer-dimer equilibrium system considered here. Finally, the results suggest that intermolecular coupling terms should be considered when probing the origins of isotopic fractionation.« less

  12. Effective representation of amide III, II, I, and A modes on local vibrational modes: Analysis of ab initio quantum calculation results.

    PubMed

    Hahn, Seungsoo

    2016-10-28

    The Hamiltonian matrix for the first excited vibrational states of a protein can be effectively represented by local vibrational modes constituting amide III, II, I, and A modes to simulate various vibrational spectra. Methods for obtaining the Hamiltonian matrix from ab initio quantum calculation results are discussed, where the methods consist of three steps: selection of local vibrational mode coordinates, calculation of a reduced Hessian matrix, and extraction of the Hamiltonian matrix from the Hessian matrix. We introduce several methods for each step. The methods were assessed based on the density functional theory calculation results of 24 oligopeptides with four different peptide lengths and six different secondary structures. The completeness of a Hamiltonian matrix represented in the reduced local mode space is improved by adopting a specific atom group for each amide mode and reducing the effect of ignored local modes. The calculation results are also compared to previous models using C=O stretching vibration and transition dipole couplings. We found that local electric transition dipole moments of the amide modes are mainly bound on the local peptide planes. Their direction and magnitude are well conserved except amide A modes, which show large variation. Contrary to amide I modes, the vibrational coupling constants of amide III, II, and A modes obtained by analysis of a dipeptide are not transferable to oligopeptides with the same secondary conformation because coupling constants are affected by the surrounding atomic environment.

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

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

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

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

  14. Finite frequency current noise in the Holstein model

    NASA Astrophysics Data System (ADS)

    Stadler, P.; Rastelli, G.; Belzig, W.

    2018-05-01

    We investigate the effects of local vibrational excitations in the nonsymmetrized current noise S (ω ) of a nanojunction. For this purpose, we analyze a simple model—the Holstein model—in which the junction is described by a single electronic level that is coupled to two metallic leads and to a single vibrational mode. Using the Keldysh Green's function technique, we calculate the nonsymmetrized current noise to the leading order in the charge-vibration interaction. For the noise associated to the latter, we identify distinct terms corresponding to the mean-field noise and the vertex correction. The mean-field result can be further divided into an elastic correction to the noise and in an inelastic correction, the second one being related to energy exchange with the vibration. To illustrate the general behavior of the noise induced by the charge-vibration interaction, we consider two limit cases. In the first case, we assume a strong coupling of the dot to the leads with an energy-independent transmission, whereas in the second case we assume a weak tunneling coupling between the dot and the leads such that the transport occurs through a sharp resonant level. We find that the noise associated to the vibration-charge interaction shows a complex pattern as a function of the frequency ω and of the transmission function or of the dot's energy level. Several transitions from enhancement to suppression of the noise occurs in different regions, which are determined, in particular, by the vibrational frequency. Remarkably, in the regime of an energy-independent transmission, the zero-order elastic noise vanishes at perfect transmission and at positive frequency, whereas the noise related to the charge-vibration interaction remains finite, enabling the analysis of the pure vibrational-induced current noise.

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

    NASA Astrophysics Data System (ADS)

    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.

  16. Vibration and Stability of Pretwisted Spinning Thin-Walled Composite Beams Featuring BENDING-BENDING Elastic Coupling

    NASA Astrophysics Data System (ADS)

    SONG, O.; JEONG, N.-H.; LIBRESCU, L.

    2000-10-01

    A number of issues related to the modelling, vibration and stability of anisotropic pretwisted beams rotating at constant angular speed about the longitudinal body-axis fixed in the inertial space are investigated. The analysis is carried out in the framework of a refined theory of thin-walled anisotropic composite beams featuring bending-bending elastic coupling, and encompassing a number of non-classical features such as transverse-shear, anisotropy and pretwist. Special attention is paid to the effect of the spinning speed, pretwist angle, axial compressive load and symmetry/non-symmetry of the beam cross-section on natural frequencies and instability of the structural system. Numerical illustrations highlighting their implication on vibration and stability are displayed and pertinent conclusions are outlined.

  17. Amide I vibrational circular dichroism of dipeptide: Conformation dependence and fragment analysis

    NASA Astrophysics Data System (ADS)

    Choi, Jun-Ho; Cho, Minhaeng

    2004-03-01

    The amide I vibrational circular dichroic response of alanine dipeptide analog (ADA) was theoretically investigated and the density functional theory calculation and fragment analysis results are presented. A variety of vibrational spectroscopic properties, local and normal mode frequencies, coupling constant, dipole, and rotational strengths, are calculated by varying two dihedral angles determining the three-dimensional ADA conformation. Considering two monopeptide fragments separately, we show that the amide I vibrational circular dichroism of the ADA can be quantitatively predicted. For several representative conformations of the model ADA, vibrational circular dichroism spectra are calculated by using both the density functional theory calculation and fragment analysis methods.

  18. Static and Dynamic Characteristics of a Long-Span Cable-Stayed Bridge with CFRP Cables

    PubMed Central

    Xie, Xu; Li, Xiaozhang; Shen, Yonggang

    2014-01-01

    In this study, the scope of CFRP cables in cable-stayed bridges is studied by establishing a numerical model of a 1400-m span of the same. The mechanical properties and characteristics of CFRP stay cables and of a cable-stayed bridge with CFRP cables are here subjected to comprehensive analysis. The anomalies in the damping properties of free vibration, nonlinear parametric vibration and wind fluctuating vibration between steel cables and CFRP cables are determined. The structural stiffness, wind resistance and traffic vibration of the cable-stayed bridge with CFRP cables are also analyzed. It was found that the static performances of a cable-stayed bridge with CFRP cables and steel cables are basically the same. The natural frequencies of CFRP cables do not coincide with the major natural frequencies of the cable-stayed bridge, so the likelihood of CFRP cable-bridge coupling vibration is minuscule. For CFRP cables, the response amplitudes of both parametric vibration and wind fluctuating vibration are smaller than those of steel cables. It can be concluded from the research that the use of CFRP cables does not change the dynamic characteristics of the vehicle-bridge coupling vibration. Therefore, they can be used in long-span cable-stayed bridges with an excellent mechanical performance. PMID:28788710

  19. Static and Dynamic Characteristics of a Long-Span Cable-Stayed Bridge with CFRP Cables.

    PubMed

    Xie, Xu; Li, Xiaozhang; Shen, Yonggang

    2014-06-23

    In this study, the scope of CFRP cables in cable-stayed bridges is studied by establishing a numerical model of a 1400-m span of the same. The mechanical properties and characteristics of CFRP stay cables and of a cable-stayed bridge with CFRP cables are here subjected to comprehensive analysis. The anomalies in the damping properties of free vibration, nonlinear parametric vibration and wind fluctuating vibration between steel cables and CFRP cables are determined. The structural stiffness, wind resistance and traffic vibration of the cable-stayed bridge with CFRP cables are also analyzed. It was found that the static performances of a cable-stayed bridge with CFRP cables and steel cables are basically the same. The natural frequencies of CFRP cables do not coincide with the major natural frequencies of the cable-stayed bridge, so the likelihood of CFRP cable-bridge coupling vibration is minuscule. For CFRP cables, the response amplitudes of both parametric vibration and wind fluctuating vibration are smaller than those of steel cables. It can be concluded from the research that the use of CFRP cables does not change the dynamic characteristics of the vehicle-bridge coupling vibration. Therefore, they can be used in long-span cable-stayed bridges with an excellent mechanical performance.

  20. Research on dynamic characteristics of motor vibration isolation system through mechanical impedance method

    NASA Astrophysics Data System (ADS)

    Zhao, Xingqian; Xu, Wei; Shuai, Changgeng; Hu, Zechao

    2017-12-01

    A mechanical impedance model of a coupled motor-shaft-bearing system has been developed to predict the dynamic characteristics and partially validated by comparing the computing results with finite element method (FEM), including the comparison of displacement amplitude in x and z directions at the two ends of the flexible coupling, the comparison of normalized vertical reaction force in z direction at bearing pedestals. The results demonstrate that the developed model can precisely predict the dynamic characteristics and the main advantage of such a method is that it can clearly illustrate the vibration property of the motor subsystem, which plays an important role in the isolation system design.

  1. Coupling between plate vibration and acoustic radiation

    NASA Technical Reports Server (NTRS)

    Frendi, Abdelkader; Maestrello, Lucio; Bayliss, Alvin

    1992-01-01

    A detailed numerical investigation of the coupling between the vibration of a flexible plate and the acoustic radiation is performed. The nonlinear Euler equations are used to describe the acoustic fluid while the nonlinear plate equation is used to describe the plate vibration. Linear, nonlinear, and quasi-periodic or chaotic vibrations and the resultant acoustic radiation are analyzed. We find that for the linear plate response, acoustic coupling is negligible. However, for the nonlinear and chaotic responses, acoustic coupling has a significant effect on the vibration level as the loading increases. The radiated pressure from a plate undergoing nonlinear or chaotic vibrations is found to propagate nonlinearly into the far-field. However, the nonlinearity due to wave propagation is much weaker than that due to the plate vibrations. As the acoustic wave propagates into the far-field, the relative difference in level between the fundamental and its harmonics and subharmonics decreases with distance.

  2. Modeling and experimental investigation of thermal-mechanical-electric coupling dynamics in a standing wave ultrasonic motor

    NASA Astrophysics Data System (ADS)

    Li, Xiang; Yao, Zhiyuan; He, Yigang; Dai, Shichao

    2017-09-01

    Ultrasonic motor operation relies on high-frequency vibration of a piezoelectric vibrator and interface friction between the stator and rotor/slider, which can cause temperature rise of the motor under continuous operation, and can affect motor parameters and performance in turn. In this paper, an integral model is developed to study the thermal-mechanical-electric coupling dynamics in a typical standing wave ultrasonic motor. Stick-slip motion at the contact interface and the temperature dependence of material parameters of the stator are taken into account in this model. The elastic, piezoelectric and dielectric material coefficients of the piezoelectric ceramic, as a function of temperature, are determined experimentally using a resonance method. The critical parameters in the model are identified via measured results. The resulting model can be used to evaluate the variation in output characteristics of the motor caused by the thermal-mechanical-electric coupling effects. Furthermore, the dynamic temperature rise of the motor can be accurately predicted under different input parameters using the developed model, which will contribute to improving the reliable life of a motor for long-term running.

  3. Vibration analysis in reciprocating compressors

    NASA Astrophysics Data System (ADS)

    Kacani, V.

    2017-08-01

    This paper presents the influence of modelling on the mechanical natural frequencies, the effect of inertia loads on the structure vibration, the impact of the crank gear damping on speed fluctuation to ensure a safe operation and increasing the reliability of reciprocating compressors. In this paper it is shown, that conventional way of modelling is not sufficient. For best results it is required to include the whole system (bare block, frame, coupling, main driver, vessels, pipe work, etc.) in the model (see results in Table 1).

  4. Coupled boundary and finite element analysis of vibration from railway tunnels—a comparison of two- and three-dimensional models

    NASA Astrophysics Data System (ADS)

    Andersen, L.; Jones, C. J. C.

    2006-06-01

    The analysis of vibration from railway tunnels is of growing interest as new and higher-speed railways are built under the ground to address the transport problems of growing modern urban areas. Such analysis can be carried out using numerical methods but models and therefore computing times can be large. There is a need to be able to apply very fast calculations that can be used in tunnel design and studies of environmental impacts. Taking advantage of the fact that tunnels often have a two-dimensional geometry in the sense that the cross section is constant along the tunnel axis, it is useful to evaluate the potential uses of two-dimensional models before committing to much more costly three-dimensional approaches. The vibration forces in the track due to the passage of a train are by nature three-dimensional and a complete analysis undoubtedly requires a model of three-dimensional wave propagation. The aim of this paper is to investigate the quality of the information that can be gained from a two-dimensional model of a railway tunnel. The vibration transmission from the tunnel floor to the ground surface is analysed for the frequency range relevant to the perception of whole body vibration (about 4-80 Hz). A coupled finite element and boundary element scheme is applied in both two and three dimensions. Two tunnel designs are considered: a cut-and-cover tunnel for a double track and a single-track tunnel dug with the New Austrian tunnelling method (NATM).

  5. Relaxation dynamics and coherent energy exchange in coupled vibration-cavity polaritons (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Simpkins, Blake S.; Fears, Kenan P.; Dressick, Walter J.; Dunkelberger, Adam D.; Spann, Bryan T.; Owrutsky, Jeffrey C.

    2016-09-01

    Coherent coupling between an optical transition and confined optical mode have been investigated for electronic-state transitions, however, only very recently have vibrational transitions been considered. Here, we demonstrate both static and dynamic results for vibrational bands strongly coupled to optical cavities. We experimentally and numerically describe strong coupling between a Fabry-Pérot cavity and carbonyl stretch ( 1730 cm 1) in poly-methylmethacrylate and provide evidence that the mixed-states are immune to inhomogeneous broadening. We investigate strong and weak coupling regimes through examination of cavities loaded with varying concentrations of a urethane monomer. Rabi splittings are in excellent agreement with an analytical description using no fitting parameters. Ultrafast pump-probe measurements reveal transient absorption signals over a frequency range well-separated from the vibrational band, as well as drastically modified relaxation rates. We speculate these modified kinetics are a consequence of the energy proximity between the vibration-cavity polariton modes and excited state transitions and that polaritons offer an alternative relaxation path for vibrational excitations. Varying the polariton energies by angle-tuning yields transient results consistent with this hypothesis. Furthermore, Rabi oscillations, or quantum beats, are observed at early times and we see evidence that these coherent vibration-cavity polariton excitations impact excited state population through cavity losses. Together, these results indicate that cavity coupling may be used to influence both excitation and relaxation rates of vibrations. Opening the field of polaritonic coupling to vibrational species promises to be a rich arena amenable to a wide variety of infrared-active bonds that can be studied in steady state and dynamically.

  6. Realistic Features in Analysing the Effect of the Seismic Motion upon Localized Structures Considering Base Isolation Influence on Their Dynamic Behaviour

    NASA Astrophysics Data System (ADS)

    Apostol, Bogdan Felix; Florin Balan, Stefan; Ionescu, Constantin

    2017-12-01

    The effects of the earthquakes on buildings and the concept of seismic base isolation are investigated by using the model of the vibrating bar embedded at one end. The normal modes and the eigenfrequencies of the bar are highlighted and the amplification of the response due to the excitation of the normal modes (eigenmodes) is computed. The effect is much enhanced at resonance, for oscillating shocks which contain eigenfrequencies of the bar. Also, the response of two linearly joined bars with one end embedded is calculated. It is shown that for very different elastic properties the eigenfrequencies are due mainly to the “softer” bar. The effect of the base isolation in seismic structural engineering is assessed by formulating the model of coupled harmonic oscillators, as a simplified model for the structure building-foundation viewed as two coupled vibrating bars. The coupling decreases the lower eigenfrequencies of the structure and increases the higher ones. Similar amplification factors are derived for coupled oscillators at resonance with an oscillating shock.

  7. The coupled nonlinear dynamics of a lift system

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

    Crespo, Rafael Sánchez, E-mail: rafael.sanchezcrespo@northampton.ac.uk, E-mail: stefan.kaczmarczyk@northampton.ac.uk, E-mail: phil.picton@northampton.ac.uk, E-mail: huijuan.su@northampton.ac.uk; Kaczmarczyk, Stefan, E-mail: rafael.sanchezcrespo@northampton.ac.uk, E-mail: stefan.kaczmarczyk@northampton.ac.uk, E-mail: phil.picton@northampton.ac.uk, E-mail: huijuan.su@northampton.ac.uk; Picton, Phil, E-mail: rafael.sanchezcrespo@northampton.ac.uk, E-mail: stefan.kaczmarczyk@northampton.ac.uk, E-mail: phil.picton@northampton.ac.uk, E-mail: huijuan.su@northampton.ac.uk

    2014-12-10

    Coupled lateral and longitudinal vibrations of suspension and compensating ropes in a high-rise lift system are often induced by the building motions due to wind or seismic excitations. When the frequencies of the building become near the natural frequencies of the ropes, large resonance motions of the system may result. This leads to adverse coupled dynamic phenomena involving nonplanar motions of the ropes, impact loads between the ropes and the shaft walls, as well as vertical vibrations of the car, counterweight and compensating sheave. Such an adverse dynamic behaviour of the system endangers the safety of the installation. This papermore » presents two mathematical models describing the nonlinear responses of a suspension/ compensating rope system coupled with the elevator car / compensating sheave motions. The models accommodate the nonlinear couplings between the lateral and longitudinal modes, with and without longitudinal inertia of the ropes. The partial differential nonlinear equations of motion are derived using Hamilton Principle. Then, the Galerkin method is used to discretise the equations of motion and to develop a nonlinear ordinary differential equation model. Approximate numerical solutions are determined and the behaviour of the system is analysed.« less

  8. Analysis of the vibronic fine structure in circularly polarized emission spectra from chiral molecular aggregates.

    PubMed

    Spano, Frank C; Zhao, Zhen; Meskers, Stefan C J

    2004-06-08

    Using a Frenkel-exciton model, the degree of circular polarization of the luminescence (g(lum)) from one-dimensional, helical aggregates of chromophoric molecules is investigated theoretically. The coupling between the electronic excitation and a local, intramolecular vibrational mode is taken into account. Analytical expressions for the fluorescence band shape and g(lum) are presented for the case of strong and weak electronic coupling between the chromophoric units. Results are compared to those from numerical calculations obtained using the three particle approximation. g(lum) for the 0-0 vibronic band is found to be independent of the relative strength of electronic coupling between chromophores and excitation-vibration coupling. It depends solely on the number of coherently coupled molecules. In contrast, for the higher vibronic transitions[g(lum)] decreases with decreasing strength of the electronic coupling. In the limit of strong electronic coupling, [g(lum)] is almost constant throughout the series of vibronic transitions but for weak coupling [g(lum)] becomes vanishingly small for all vibronic transitions except for the 0-0 transition. The results are interpreted in terms of dynamic localization of the excitation during the zero point vibrational motion in the excited state of the aggregate. It is concluded that circular polarization measurements provide an independent way to determine the coherence size and bandwidth of the lowest exciton state for chiral aggregates. (c) 2004 American Institute of Physics.

  9. Vibration signature analysis of multistage gear transmission

    NASA Technical Reports Server (NTRS)

    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.

  10. Free vibration analysis of embedded magneto-electro-thermo-elastic cylindrical nanoshell based on the modified couple stress theory

    NASA Astrophysics Data System (ADS)

    Ghadiri, Majid; Safarpour, Hamed

    2016-09-01

    In this paper, size-dependent effect of an embedded magneto-electro-elastic (MEE) nanoshell subjected to thermo-electro-magnetic loadings on free vibration behavior is investigated. Also, the surrounding elastic medium has been considered as the model of Winkler characterized by the spring. The size-dependent MEE nanoshell is investigated on the basis of the modified couple stress theory. Taking attention to the first-order shear deformation theory (FSDT), the modeled nanoshell and its equations of motion are derived using principle of minimum potential energy. The accuracy of the presented model is validated with some cases in the literature. Finally, using the Navier-type method, an analytical solution of governing equations for vibration behavior of simply supported MEE cylindrical nanoshell under combined loadings is presented and the effects of material length scale parameter, temperature changes, external electric potential, external magnetic potential, circumferential wave numbers, constant of spring, shear correction factor and length-to-radius ratio of the nanoshell on natural frequency are identified. Since there has been no research about size-dependent analysis MEE cylindrical nanoshell under combined loadings based on FSDT, numerical results are presented to be served as benchmarks for future analysis of MEE nanoshells using the modified couple stress theory.

  11. Dynamic modeling and hierarchical compound control of a novel 2-DOF flexible parallel manipulator with multiple actuation modes

    NASA Astrophysics Data System (ADS)

    Liang, Dong; Song, Yimin; Sun, Tao; Jin, Xueying

    2018-03-01

    This paper addresses the problem of rigid-flexible coupling dynamic modeling and active control of a novel flexible parallel manipulator (PM) with multiple actuation modes. Firstly, based on the flexible multi-body dynamics theory, the rigid-flexible coupling dynamic model (RFDM) of system is developed by virtue of the augmented Lagrangian multipliers approach. For completeness, the mathematical models of permanent magnet synchronous motor (PMSM) and piezoelectric transducer (PZT) are further established and integrated with the RFDM of mechanical system to formulate the electromechanical coupling dynamic model (ECDM). To achieve the trajectory tracking and vibration suppression, a hierarchical compound control strategy is presented. Within this control strategy, the proportional-differential (PD) feedback controller is employed to realize the trajectory tracking of end-effector, while the strain and strain rate feedback (SSRF) controller is developed to restrain the vibration of the flexible links using PZT. Furthermore, the stability of the control algorithm is demonstrated based on the Lyapunov stability theory. Finally, two simulation case studies are performed to illustrate the effectiveness of the proposed approach. The results indicate that, under the redundant actuation mode, the hierarchical compound control strategy can guarantee the flexible PM achieves singularity-free motion and vibration attenuation within task workspace simultaneously. The systematic methodology proposed in this study can be conveniently extended for the dynamic modeling and efficient controller design of other flexible PMs, especially the emerging ones with multiple actuation modes.

  12. A new dynamic model of rotor-blade systems

    NASA Astrophysics Data System (ADS)

    Ma, Hui; Lu, Yang; Wu, Zhiyuan; Tai, Xingyu; Li, Hui; Wen, Bangchun

    2015-11-01

    A new dynamic model of rotor-blade systems is developed in this paper considering the lateral and torsional deformations of the shaft, gyroscopic effects of the rotor which consists of shaft and disk, and the centrifugal stiffening, spin softening and Coriolis force of the blades. In this model, the rotating flexible blades are represented by Timoshenko beams. The shaft and rigid disk are described by multiple lumped mass points (LMPs), and these points are connected by massless springs which have both lateral and torsional stiffness. LMPs are represented by the corresponding masses and mass moments of inertia in lateral and rotational directions, where each point has five degrees of freedom (dofs) excluding axial dof. Equations of motion of the rotor-blade system are derived using Hamilton's principle in conjunction with the assumed modes method to describe blade deformation. The proposed model is compared with both finite element (FE) model and real experiments. The proposed model is first validated by comparing the model natural frequencies and vibration responses with those obtained from an FE model. A further verification of the model is then performed by comparing the model natural frequencies at zero rotational speed with those obtained from experimental studies. The results shown a good agreement between the model predicted system characteristics and those obtained from the FE model and experimental tests. Moreover, the following interesting phenomena have been revealed from the new model based analysis: The torsional natural frequency of the system decreases with the increase of rotational speed, and the frequency veering phenomenon has been observed at high rotational speed; The complicated coupling modes, such as the blade-blade coupling mode (BB), the coupling mode between the rotor lateral vibration and blade bending (RBL), and the coupling mode between the rotor torsional vibration and blade bending (RBT), have also been observed when the number of blades increases.

  13. Reactor vibration reduction based on giant magnetostrictive materials

    NASA Astrophysics Data System (ADS)

    Rongge, Yan; Weiying, Liu; Yuechao, Wu; Menghua, Duan; Xiaohong, Zhang; Lihua, Zhu; Ling, Weng; Ying, Sun

    2017-05-01

    The vibration of reactors not only produces noise pollution, but also affects the safe operation of reactors. Giant magnetostrictive materials can generate huge expansion and shrinkage deformation in a magnetic field. With the principle of mutual offset between the giant magnetostrictive force produced by the giant magnetostrictive material and the original vibration force of the reactor, the vibration of the reactor can be reduced. In this paper, magnetization and magnetostriction characteristics in silicon steel and the giant magnetostrictive material are measured, respectively. According to the presented magneto-mechanical coupling model including the electromagnetic force and the magnetostrictive force, reactor vibration is calculated. By comparing the vibration of the reactor with different inserted materials in the air gaps between the reactor cores, the vibration reduction effectiveness of the giant magnetostrictive material is validated.

  14. Modeling the CH Stretch Vibrational Spectroscopy of M(+)[Cyclohexane] (M = Li, Na, and K) Ions.

    PubMed

    Sibert, Edwin L; Tabor, Daniel P; Lisy, James M

    2015-10-15

    The CH stretch vibrations of M(+)[cyclohexane][Ar] (M = Li, Na, and K) cluster ions were theoretically modeled. Results were compared to the corresponding infrared photodissociation spectra of Patwari and Lisy [ J. Chem. Phys A 2007 , 111 , 7585 ]. The experimental spectra feature a substantial spread in CH stretch vibration frequencies due to the alkali metal cation binding to select hydrogens of cyclohexane. This spread was observed to increase with decreasing metal ion size. Exploring the potential energy landscape revealed the presence of three conformers whose energy minima lie within ∼1 kcal of each other. It was determined that in all conformers the metal ion interacts with three hydrogen atoms; these hydrogen atoms can be either equatorial or axial. The corresponding spectra for these conformers were obtained with a theoretical model Hamiltonian [ J. Chem. Phys. 2013 , 138 , 064308 ] that consists of local mode CH stretches bilinearly coupled to each other and Fermi coupled to lower frequency modes. Frequencies and coupling parameters were obtained from electronic structure calculations that were subsequently scaled on the basis of previous studies. Theoretical spectra of a single low energy conformer were found to match well with the experimental spectra. The relative frequency shifts with changing metal ion size were accurately modeled with parameters generated by using ωB97X-D/6-311++(2d,p) calculations.

  15. Vibration and flutter of mistuned bladed-disk assemblies

    NASA Technical Reports Server (NTRS)

    Kaza, K. R. V.; Kielb, R. E.

    1984-01-01

    An analytical model for investigating vibration and flutter of mistuned bladed disk assemblies is presented. This model accounts for elastic, inertial and aerodynamic coupling between bending and torsional motions of each individual blade, elastic and inertial couplings between the blades and the disk, and aerodynamic coupling among the blades. The disk was modeled as a circular plate with constant thickness and each blade was represented by a twisted, slender, straight, nonuniform, elastic beam with a symmetric cross section. The elastic axis, inertia axis, and the tension axis were taken to be noncoincident and the structural warping of the section was explicitly considered. The blade aerodynamic loading in the subsonic and supersonic flow regimes was obtained from two-dimensional unsteady, cascade theories. All the possible standing wave modes of the disk and traveling wave modes of the blades were included. The equations of motion were derived by using the energy method in conjunction with the assumed mode shapes for the disk and the blades. Continuities of displacement and slope at the blade-disk junction were maintained. The equations were solved to investigate the effects of blade-disk coupling and blade frequency mistuning on vibration and flutter. Results showed that the flexibility of practical disks such as those used for current generation turbofans did not have a significant influence on either the tuned or mistuned flutter characteristics. However, the disk flexibility may have a strong influence on some of the system frequencies and on forced response.

  16. Vibration and flutter of mistuned bladed-disk assemblies

    NASA Technical Reports Server (NTRS)

    Rao, K.; Kaza, V.; Kielb, R. E.

    1984-01-01

    An analytical model for investigating vibration and flutter of mistuned bladed disk assemblies is presented. This model accounts for elastic, inertial and aerodynamic coupling between bending and torsional motions of each individual blade, elastic and inertial couplings between the blades and the disk, and aerodynamic coupling among the blades. The disk was modeled as a circular plate with constant thickness and each blade was represented by a twisted, slender, straight, nonuniform, elastic beam with a symmetric cross section. The elastic axis, inertia axis, and the tension axis were taken to be noncoincident and the structural warping of the section was explicitly considered. The blade aerodynamic loading in the subsonic and supersonic flow regimes was obtained from two-dimensional unsteady, cascade theories. All the possible standing wave modes of the disk and traveling wave modes of the blades were included. The equations of motion were derived by using the energy method in conjunction with the assumed mode shapes for the disk and the blades. Continuities of displacement and slope at the blade-disk junction were maintained. The equations were solved to investigate the effects of blade-disk coupling and blade frequency mistuning on vibration and flutter. Results showed that the flexibility of practical disks such as those used for current generation turbufans did not have a significant influence on either the tuned or mistuned flutter characteristics. However, the disk flexibility may have a strong influence on some of the system frequencies and on forced response.

  17. Effects of mucosal loading on vocal fold vibration.

    PubMed

    Tao, Chao; Jiang, Jack J

    2009-06-01

    A chain model was proposed in this study to examine the effects of mucosal loading on vocal fold vibration. Mucosal loading was defined as the loading caused by the interaction between the vocal folds and the surrounding tissue. In the proposed model, the vocal folds and the surrounding tissue were represented by a series of oscillators connected by a coupling spring. The lumped masses, springs, and dampers of the oscillators modeled the tissue properties of mass, stiffness, and viscosity, respectively. The coupling spring exemplified the tissue interactions. By numerically solving this chain model, the effects of mucosal loading on the phonation threshold pressure, phonation instability pressure, and energy distribution in a voice production system were studied. It was found that when mucosal loading is small, phonation threshold pressure increases with the damping constant R(r), the mass constant R(m), and the coupling constant R(mu) of mucosal loading but decreases with the stiffness constant R(k). Phonation instability pressure is also related to mucosal loading. It was found that phonation instability pressure increases with the coupling constant R(mu) but decreases with the stiffness constant R(k) of mucosal loading. Therefore, it was concluded that mucosal loading directly affects voice production.

  18. Effects of mucosal loading on vocal fold vibration

    NASA Astrophysics Data System (ADS)

    Tao, Chao; Jiang, Jack J.

    2009-06-01

    A chain model was proposed in this study to examine the effects of mucosal loading on vocal fold vibration. Mucosal loading was defined as the loading caused by the interaction between the vocal folds and the surrounding tissue. In the proposed model, the vocal folds and the surrounding tissue were represented by a series of oscillators connected by a coupling spring. The lumped masses, springs, and dampers of the oscillators modeled the tissue properties of mass, stiffness, and viscosity, respectively. The coupling spring exemplified the tissue interactions. By numerically solving this chain model, the effects of mucosal loading on the phonation threshold pressure, phonation instability pressure, and energy distribution in a voice production system were studied. It was found that when mucosal loading is small, phonation threshold pressure increases with the damping constant Rr, the mass constant Rm, and the coupling constant Rμ of mucosal loading but decreases with the stiffness constant Rk. Phonation instability pressure is also related to mucosal loading. It was found that phonation instability pressure increases with the coupling constant Rμ but decreases with the stiffness constant Rk of mucosal loading. Therefore, it was concluded that mucosal loading directly affects voice production.

  19. Investigation of free vibration characteristics for skew multiphase magneto-electro-elastic plate

    NASA Astrophysics Data System (ADS)

    Kiran, M. C.; Kattimani, S.

    2018-04-01

    This article presents the investigation of skew multiphase magneto-electro-elastic (MMEE) plate to assess its free vibration characteristics. A finite element (FE) model is formulated considering the different couplings involved via coupled constitutive equations. The transformation matrices are derived to transform local degrees of freedom into the global degrees of freedom for the nodes lying on the skew edges. Effect of different volume fraction (Vf) on the free vibration behavior is explicitly studied. In addition, influence of width to thickness ratio, the aspect ratio, and the stacking arrangement on natural frequencies of skew multiphase MEE plate investigated. Particular attention has been paid to investigate the effect of skew angle on the non-dimensional Eigen frequencies of multiphase MEE plate with simply supported edges.

  20. Raman and infrared spectroscopic study of the molecular dynamics of N2O in inert solvents

    NASA Astrophysics Data System (ADS)

    Ouillon, R.

    The influence of the rotational motion of the N2O molecule on its own vibrational motion does not noticeably affect the widths of v1 and v3 isotropic spectra of this molecule in inert solvents (SF6 and CCl4). The pure vibrational dephasing plays a predominant role on this band broadening as shown by comparing the experimental vibrational relaxation time with the calculated vibrational dephasing time deduced from either the binary collision (Fischer-Laubereau) or hydrodynamic model (Metiu-Oxtoby), provided the anharmonicity of the intermolecular potential, as regards the former, and the quadratic coupling terms between vibrator and bath, as regards the latter, are taken into account. Examination of the vibrational correlation functions in the framework of the Rothschild model allows a better understanding of the influence of the instantaneous distribution of vibrational frequencies and of the decay of the perturbation on the shape of the isotropic spectra and confirms that the modulation of the N2O vibration by its environment is rather rapid.

  1. Molecular plasmonics: The role of rovibrational molecular states in exciton-plasmon materials under strong-coupling conditions

    NASA Astrophysics Data System (ADS)

    Sukharev, Maxim; Charron, Eric

    2017-03-01

    We extend the model of exciton-plasmon materials to include a rovibrational structure of molecules using wave-packet propagations on electronic potential energy surfaces. Our model replaces conventional two-level emitters with more complex molecules, allowing us to examine the influence of alignment and vibrational dynamics on strong coupling with surface plasmon-polaritons. We apply the model to a hybrid system comprising a thin layer of molecules placed on top of a periodic array of slits. Rigorous simulations are performed for two types of molecular systems described by vibrational bound-bound and bound-continuum electronic transitions. Calculations reveal new features in transmission, reflection, and absorption spectra, including the observation of significantly higher values of the Rabi splitting and vibrational patterns clearly seen in the corresponding spectra. We also examine the influence of anisotropic initial conditions on optical properties of hybrid materials, demonstrating that the optical response of the system is significantly affected by an initial prealignment of the molecules. Our work demonstrates that prealigned molecules could serve as an efficient probe for the subdiffraction characterization of the near-field near metal interfaces.

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

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

    Giorgi, G.L., E-mail: g.giorgi@inrim.it; Roncaglia, M.; Raffa, F.A.

    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 unveiledmore » 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.« less

  3. Modeling of coupling mechanism of wireless power transfer system and vibration phenomenon of receiver-coil in three-coil system

    NASA Astrophysics Data System (ADS)

    Liu, Suqi; Tan, Jianping; Wen, Xue

    2017-11-01

    Wireless power transfer (WPT) via coupled magnetic resonances has become a focus recently, but the mechanisms responsible for such work are uncertain. We found that WPT system is a self-organization system by utilizing self-organization theory to judge. Firstly, the circuit model was established and transfer characteristic of a system was researched by utilizing circuit theories. Thus, with the introduction of entropy variable S, the energy equation of state can be established from the energy of the transmitter side and the energy of the receiver side. According to the energy equation of state, this paper obtains two equations when the reactance of the transmitter side and the receiver side equate to zero respectively. The vibration phenomenon of the receiver-coil in a three-coil WPT system was predicted and explained. Our findings illuminate the unusual self-organization in the WPT system and explain the vibration phenomenon of the receiver-coil in a three-coil WPT system.

  4. Nonlinear vibrational excitations in molecular crystals molecular mechanics calculations

    NASA Astrophysics Data System (ADS)

    Pumilia, P.; Abbate, S.; Baldini, G.; Ferro, D. R.; Tubino, R.

    1992-03-01

    The coupling constant for vibrational solitons χ has been examined in a molecular mechanics model for acetanilide (ACN) molecular crystal. According to A.C. Scott, solitons can form and propagate in solid acetanilide over a threshold energy value. This can be regarded as a structural model for the spines of hydrogen bond chains stabilizing the α helical structure of proteins. A one dimensional hydrogen bond chain of ACN has been built, for which we have found that, even though experimental parameters are correctly predicted, the excessive rigidity of the isolated chain prevents the formation of a localized distortion around the excitation. Yet, C=O coupling value with softer lattice modes could be rather high, allowing self-trapping to take place.

  5. VCD Robustness of the Amide-I and Amide-II Vibrational Modes of Small Peptide Models.

    PubMed

    Góbi, Sándor; Magyarfalvi, Gábor; Tarczay, György

    2015-09-01

    The rotational strengths and the robustness values of amide-I and amide-II vibrational modes of For(AA)n NHMe (where AA is Val, Asn, Asp, or Cys, n = 1-5 for Val and Asn; n = 1 for Asp and Cys) model peptides with α-helix and β-sheet backbone conformations were computed by density functional methods. The robustness results verify empirical rules drawn from experiments and from computed rotational strengths linking amide-I and amide-II patterns in the vibrational circular dichroism (VCD) spectra of peptides with their backbone structures. For peptides with at least three residues (n ≥ 3) these characteristic patterns from coupled amide vibrational modes have robust signatures. For shorter peptide models many vibrational modes are nonrobust, and the robust modes can be dependent on the residues or on their side chain conformations in addition to backbone conformations. These robust VCD bands, however, provide information for the detailed structural analysis of these smaller systems. © 2015 Wiley Periodicals, Inc.

  6. Electron spin control and spin-libration coupling of a levitated nanodiamond

    NASA Astrophysics Data System (ADS)

    Hoang, Thai; Ma, Yue; Ahn, Jonghoon; Bang, Jaehoon; Robicheaux, Francis; Gong, Ming; Yin, Zhang-Qi; Li, Tongcang

    2017-04-01

    Hybrid spin-mechanical systems have great potentials in sensing, macroscopic quantum mechanics, and quantum information science. Recently, we optically levitated a nanodiamond and demonstrated electron spin control of its built-in nitrogen-vacancy (NV) centers in vacuum. We also observed the libration (torsional vibration) of a nanodiamond trapped by a linearly polarized laser beam in vacuum. We propose to achieve strong coupling between the electron spin of a NV center and the libration of a levitated nanodiamond with a uniform magnetic field. With a uniform magnetic field, multiple spins can couple to the torsional vibration at the same time. We propose to use this strong coupling to realize the Lipkin-Meshkov-Glick (LMG) model and generate rotational superposition states. This work is supported by the National Science Foundation under Grant No. 1555035-PHY.

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

    NASA Astrophysics Data System (ADS)

    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.

  8. Coherent coupling of molecular resonators with a microcavity mode

    NASA Astrophysics Data System (ADS)

    Shalabney, A.; George, J.; Hutchison, J.; Pupillo, G.; Genet, C.; Ebbesen, T. W.

    2015-01-01

    The optical hybridization of the electronic states in strongly coupled molecule-cavity systems have revealed unique properties, such as lasing, room temperature polariton condensation and the modification of excited electronic landscapes involved in molecular isomerization. Here we show that molecular vibrational modes of the electronic ground state can also be coherently coupled with a microcavity mode at room temperature, given the low vibrational thermal occupation factors associated with molecular vibrations, and the collective coupling of a large ensemble of molecules immersed within the cavity-mode volume. This enables the enhancement of the collective Rabi-exchange rate with respect to the single-oscillator coupling strength. The possibility of inducing large shifts in the vibrational frequency of selected molecular bonds should have immediate consequences for chemistry.

  9. Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton Dynamics.

    PubMed

    Padula, Daniele; Lee, Myeong H; Claridge, Kirsten; Troisi, Alessandro

    2017-11-02

    In this paper, we adopt an approach suitable for monitoring the time evolution of the intramolecular contribution to the spectral density of a set of identical chromophores embedded in their respective environments. We apply the proposed method to the Fenna-Matthews-Olson (FMO) complex, with the objective to quantify the differences among site-dependent spectral densities and the impact of such differences on the exciton dynamics of the system. Our approach takes advantage of the vertical gradient approximation to reduce the computational demands of the normal modes analysis. We show that the region of the spectral density that is believed to strongly influence the exciton dynamics changes significantly in the timescale of tens of nanoseconds. We then studied the impact of the intramolecular vibrations on the exciton dynamics by considering a model of FMO in a vibronic basis and neglecting the interaction with the environment to isolate the role of the intramolecular exciton-vibration coupling. In agreement with the assumptions in the literature, we demonstrate that high frequency modes at energy much larger than the excitonic energy splitting have negligible influence on exciton dynamics despite the large exciton-vibration coupling. We also find that the impact of including the site-dependent spectral densities on exciton dynamics is not very significant, indicating that it may be acceptable to apply the same spectral density on all sites. However, care needs to be taken for the description of the exciton-vibrational coupling in the low frequency part of intramolecular modes because exciton dynamics is more susceptible to low frequency modes despite their small Huang-Rhys factors.

  10. Effect of nonlinear electrostatic forces on the dynamic behaviour of a capacitive ring-based Coriolis Vibrating Gyroscope under severe shock

    NASA Astrophysics Data System (ADS)

    Chouvion, B.; McWilliam, S.; Popov, A. A.

    2018-06-01

    This paper investigates the dynamic behaviour of capacitive ring-based Coriolis Vibrating Gyroscopes (CVGs) under severe shock conditions. A general analytical model is developed for a multi-supported ring resonator by describing the in-plane ring response as a finite sum of modes of a perfect ring and the electrostatic force as a Taylor series expansion. It is shown that the supports can induce mode coupling and that mode coupling occurs when the shock is severe and the electrostatic forces are nonlinear. The influence of electrostatic nonlinearity is investigated by numerically simulating the governing equations of motion. For the severe shock cases investigated, when the electrode gap reduces by ∼ 60 % , it is found that three ring modes of vibration (1 θ, 2 θ and 3 θ) and a 9th order force expansion are needed to obtain converged results for the global shock behaviour. Numerical results when the 2 θ mode is driven at resonance indicate that electrostatic nonlinearity introduces mode coupling which has potential to reduce sensor performance under operating conditions. Under some circumstances it is also found that severe shocks can cause the vibrating response to jump to another stable state with much lower vibration amplitude. This behaviour is mainly a function of shock amplitude and rigid-body motion damping.

  11. Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

    DOE PAGES

    Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas; ...

    2018-06-13

    Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

  12. Evaluation of coupling terms between intra- and intermolecular vibrations in coarse-grained normal-mode analysis: does a stronger acid make a stiffer hydrogen bond?

    PubMed

    Houjou, Hirohiko

    2011-10-21

    Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m(-1) for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules. © 2011 American Institute of Physics

  13. Evaluation of coupling terms between intra- and intermolecular vibrations in coarse-grained normal-mode analysis: Does a stronger acid make a stiffer hydrogen bond?

    NASA Astrophysics Data System (ADS)

    Houjou, Hirohiko

    2011-10-01

    Using theory of harmonic normal-mode vibration analysis, we developed a procedure for evaluating the anisotropic stiffness of intermolecular forces. Our scheme for coarse-graining of molecular motions is modified so as to account for intramolecular vibrations in addition to relative translational/rotational displacement. We applied this new analytical scheme to four carboxylic acid dimers, for which coupling between intra- and intermolecular vibrations is crucial for determining the apparent stiffness of the intermolecular double hydrogen bond. The apparent stiffness constant was analyzed on the basis of a conjunct spring model, which defines contributions from true intermolecular stiffness and molecular internal stiffness. Consequently, the true intermolecular stiffness was in the range of 43-48 N m-1 for all carboxylic acids studied, regardless of the molecules' acidity. We concluded that the difference in the apparent stiffness can be attributed to differences in the internal stiffness of the respective molecules.

  14. Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

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

    Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas

    Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

  15. Vibrational energy transfer from photoexcited carbon nanotubes to proteins observed by coherent phonon spectroscopy

    NASA Astrophysics Data System (ADS)

    Nakayama, Tomohito; Yoshizawa, Shunsuke; Hirano, Atsushi; Tanaka, Takeshi; Shiraki, Kentaro; Hase, Muneaki

    2017-12-01

    Vibrational energy transfer from photoexcited single-wall carbon nanotubes (SWCNTs) to coupled proteins is a key to engineering thermally induced biological reactions, for example, in photothermal therapy. Here, we explored vibrational energy transfer from photoexcited SWCNTs to different adsorbed biological materials by means of a femtosecond pump-probe technique. We show that the vibrational relaxation time of the radial breathing modes in SWCNTs depends significantly on the structure of the coupled materials, that is, proteins or biopolymers, indicating that the vibrational energy transfer is governed by overlapping of the phonon densities of states of the SWCNTs and coupled materials.

  16. Active control of panel vibrations induced by a boundary layer flow

    NASA Technical Reports Server (NTRS)

    Chow, Pao-Liu

    1995-01-01

    The problems of active and passive control of sound and vibration has been investigated by many researchers for a number of years. However, few of the articles are concerned with the sound and vibration with flow-structure interaction. Experimental and numerical studies on the coupling between panel vibration and acoustic radiation due to flow excitation have been done by Maestrello and his associates at NASA/Langley Research Center. Since the coupled system of nonlinear partial differential equations is formidable, an analytical solution to the full problem seems impossible. For this reason, we have to simplify the problem to that of the nonlinear panel vibration induced by a uniform flow or a boundary-layer flow with a given wall pressure distribution. Based on this simplified model, we have been able to consider the control and stabilization of the nonlinear panel vibration, which have not been treated satisfactorily by other authors. Although the sound radiation has not been included, the vibration suppression will clearly reduce the sound radiation power from the panel. The major research findings are presented in three sections. In section two we describe results on the boundary control of nonlinear panel vibration, with or without flow excitation. Sections three and four are concerned with some analytical and numerical results in the optimal control of the linear and nonlinear panel vibrations, respectively, excited by the flow pressure fluctuations. Finally, in section five, we draw some conclusions from research findings.

  17. Temperature- and pressure-dependent infrared spectroscopy of 1-butyl-3-methylimidazolium trifluoromethanesulfonate: A dipolar coupling theory analysis

    NASA Astrophysics Data System (ADS)

    Burba, Christopher M.; Chang, Hai-Chou

    2018-03-01

    Continued growth and development of ionic liquids requires a thorough understanding of how cation and anion molecular structure defines the liquid structure of the materials as well as the various properties that make them technologically useful. Infrared spectroscopy is frequently used to assess molecular-level interactions among the cations and anions of ionic liquids because the intramolecular vibrational modes of the ions are sensitive to the local potential energy environments in which they reside. Thus, different interaction modes among the ions may lead to different spectroscopic signatures in the vibrational spectra. Charge organization present in ionic liquids, such as 1-butyl-3-methylimidazolium trifluoromethanesulfonate ([C4mim]CF3SO3), is frequently modeled in terms of a quasicrystalline structure. Highly structured quasilattices enable the dynamic coupling of vibrationally-induced dipole moments to produce optical dispersion and transverse optical-longitudinal optical (TO-LO) splitting of vibrational modes of the ionic liquid. According to dipolar coupling theory, the degree of TO-LO splitting is predicted to have a linear dependence on the number density of the ionic liquid. Both temperature and pressure will affect the number density of the ionic liquid and, therefore, the amount of TO-LO splitting for this mode. Therefore, we test these relationships through temperature- and pressure-dependent FT-IR spectroscopic studies of [C4mim]CF3SO3, focusing on the totally symmetric Ssbnd O stretching mode for the anion, νs(SO3). Increased temperature decreases the amount of TO-LO splitting for νs(SO3), whereas elevated pressure is found to increase the amount of band splitting. In both cases, the experimental observations follow the general predictions of dipolar coupling theory, thereby supporting the quasilattice model for this ionic liquid.

  18. Impeller leakage flow modeling for mechanical vibration control

    NASA Technical Reports Server (NTRS)

    Palazzolo, Alan B.

    1996-01-01

    HPOTP and HPFTP vibration test results have exhibited transient and steady characteristics which may be due to impeller leakage path (ILP) related forces. For example, an axial shift in the rotor could suddenly change the ILP clearances and lengths yielding dynamic coefficient and subsequent vibration changes. ILP models are more complicated than conventional-single component-annular seal models due to their radial flow component (coriolis and centrifugal acceleration), complex geometry (axial/radial clearance coupling), internal boundary (transition) flow conditions between mechanical components along the ILP and longer length, requiring moment as well as force coefficients. Flow coupling between mechanical components results from mass and energy conservation applied at their interfaces. Typical components along the ILP include an inlet seal, curved shroud, and an exit seal, which may be a stepped labyrinth type. Von Pragenau (MSFC) has modeled labyrinth seals as a series of plain annular seals for leakage and dynamic coefficient prediction. These multi-tooth components increase the total number of 'flow coupled' components in the ILP. Childs developed an analysis for an ILP consisting of a single, constant clearance shroud with an exit seal represented by a lumped flow-loss coefficient. This same geometry was later extended to include compressible flow. The objective of the current work is to: supply ILP leakage-force impedance-dynamic coefficient modeling software to MSFC engineers, base on incompressible/compressible bulk flow theory; design the software to model a generic geometry ILP described by a series of components lying along an arbitrarily directed path; validate the software by comparison to available test data, CFD and bulk models; and develop a hybrid CFD-bulk flow model of an ILP to improve modeling accuracy within practical run time constraints.

  19. Carbody elastic vibrations of high-speed vehicles caused by bogie hunting instability

    NASA Astrophysics Data System (ADS)

    Wei, Lai; Zeng, Jing; Chi, Maoru; Wang, Jianbin

    2017-09-01

    In particular locations of the high-speed track, the worn wheel profile matched up with the worn rail profile will lead to an extremely high-conicity wheel-rail contact. Consequently, the bogie hunting instability arises, which further results in the so-called carbody shaking phenomenon. In this paper, the carbody elastic vibrations of a high-speed vehicle in service are firstly introduced. Modal tests are conducted to identity the elastic modes of the carbody. The ride comfort and running safety indices for the tested vehicle are evaluated. The rigid-flexible coupling dynamic model for the high-speed passenger car is then developed by using the FE and MBS coupling approach. The rail profiles in those particular locations are measured and further integrated into the simulation model to reproduce the bogie hunting and carbody elastic vibrations. The effects of wheel and rail wear on the vehicle system response, e.g. wheelset bifurcation graph and carbody vibrations, are studied. Two improvement measures, including the wheel profile modification and rail grinding, are proposed to provide possible solutions. It is found that the wheel-rail contact conicity can be lowered by decreasing wheel flange thickness or grinding rail corner, which is expected to improve the bogie hunting stability under worn rail and worn wheel conditions. The carbody elastic vibrations caused by bogie hunting instability can be further restrained.

  20. Research on vibration characteristics of gun barrel based on contact model

    NASA Astrophysics Data System (ADS)

    Zhao, Yang; Zhou, Qizheng; Yue, Pengfei

    2017-04-01

    In order to study vibration characteristics of the gun barrel under the action of moving projectile, the gun barrel is simplified to cross sectional cantilever beam such as Euler. Considering contact conditions of inertia effect and projectile with the gun barrel, the equation of lateral vibration of the gun barrel is established under the projectile-gun coupling effect; the modal analysis method is used to give the analytic solutions of equation series. The effect of the motion parameters the projectile on the vibration of gun barrel is discussed, and characteristics of vibration of gun barrel are further studied under two conditions of repeating and projectile with mass eccentricity. The research results show that reasonable control of the acceleration of the projectile in the gun bore, and reduction of projectile mass eccentricity can help reduce the muzzle vibration at the gun firing. The research results can provide reference for overall design of the gun, and the modeling and analysis method used in the paper can be promoted for the solution of vibration of other related projects under the moving excitation.

  1. A 2.5D finite element and boundary element model for the ground vibration from trains in tunnels and validation using measurement data

    NASA Astrophysics Data System (ADS)

    Jin, Qiyun; Thompson, David J.; Lurcock, Daniel E. J.; Toward, Martin G. R.; Ntotsios, Evangelos

    2018-05-01

    A numerical model is presented for the ground-borne vibration produced by trains running in tunnels. The model makes use of the assumption that the geometry and material properties are invariant in the axial direction. It is based on the so-called two-and-a-half dimensional (2.5D) coupled Finite Element and Boundary Element methodology, in which a two-dimensional cross-section is discretised into finite elements and boundary elements and the third dimension is represented by a Fourier transform over wavenumbers. The model is applied to a particular case of a metro line built with a cast-iron tunnel lining. An equivalent continuous model of the tunnel is developed to allow it to be readily implemented in the 2.5D framework. The tunnel structure and the track are modelled using solid and beam finite elements while the ground is modelled using boundary elements. The 2.5D track-tunnel-ground model is coupled with a train consisting of several vehicles, which are represented by multi-body models. The response caused by the passage of a train is calculated as the sum of the dynamic component, excited by the combined rail and wheel roughness, and the quasi-static component, induced by the constant moving axle loads. Field measurements have been carried out to provide experimental validation of the model. These include measurements of the vibration of the rail, the tunnel invert and the tunnel wall. In addition, simultaneous measurements were made on the ground surface above the tunnel. Rail roughness and track characterisation measurements were also made. The prediction results are compared with measured vibration obtained during train passages, with good agreement.

  2. Piezoelectric Vibration Damping Study for Rotating Composite Fan Blades

    NASA Technical Reports Server (NTRS)

    Min, James B.; Duffy, Kirsten P.; Choi, Benjamin B.; Provenza, Andrew J.; Kray, Nicholas

    2012-01-01

    Resonant vibrations of aircraft engine blades cause blade fatigue problems in engines, which can lead to thicker and aerodynamically lower performing blade designs, increasing engine weight, fuel burn, and maintenance costs. In order to mitigate undesirable blade vibration levels, active piezoelectric vibration control has been investigated, potentially enabling thinner blade designs for higher performing blades and minimizing blade fatigue problems. While the piezoelectric damping idea has been investigated by other researchers over the years, very little study has been done including rotational effects. The present study attempts to fill this void. The particular objectives of this study were: (a) to develop and analyze a multiphysics piezoelectric finite element composite blade model for harmonic forced vibration response analysis coupled with a tuned RLC circuit for rotating engine blade conditions, (b) to validate a numerical model with experimental test data, and (c) to achieve a cost-effective numerical modeling capability which enables simulation of rotating blades within the NASA Glenn Research Center (GRC) Dynamic Spin Rig Facility. A numerical and experimental study for rotating piezoelectric composite subscale fan blades was performed. It was also proved that the proposed numerical method is feasible and effective when applied to the rotating blade base excitation model. The experimental test and multiphysics finite element modeling technique described in this paper show that piezoelectric vibration damping can significantly reduce vibrations of aircraft engine composite fan blades.

  3. Electric-field-driven electron-transfer in mixed-valence molecules.

    PubMed

    Blair, Enrique P; Corcelli, Steven A; Lent, Craig S

    2016-07-07

    Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate the electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.

  4. Nozzle flow with vibrational nonequilibrium

    NASA Technical Reports Server (NTRS)

    Heinbockel, J. H.; Landry, J. G.

    1995-01-01

    This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model from first principles. The resulting equations, which model the nozzle flow, can be expressed in various forms. In most forms the resulting equations are coupled systems of nonlinear partial differential equations subject to certain boundary conditions. To solve the resulting coupled system of nonlinear partial differential equations, several numerical techniques were investigated: (1) the explicit MacCormack method, (2) the explicit-implicit MacCormack method, (3) the method of operator splitting, (4) factorization schemes, and (5) the Steger-Warming scheme.

  5. Experiments on reduction of propeller induced interior noise by active control of cylinder vibration

    NASA Technical Reports Server (NTRS)

    Fuller, C. R.; Jones, J. D.

    1987-01-01

    The feasibility of reducing interior noise caused by advanced turbo propellers by controlling the vibration of aircraft fuselages was investigated by performing experiments in an anechoic chamber with an aircraft model test rig and apparatus. It was found that active vibration control provides reasonable global attenuation of interior noise levels for the cases of resonant (at 576 Hz) and forced (at 708 Hz) system response. The controlling mechanism behind the effect is structural-acoustic coupling between the shell and the contained field, termed interface modal filtering.

  6. Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

    PubMed

    Lynch, Michael S; Slenkamp, Karla M; Cheng, Mark; Khalil, Munira

    2012-07-05

    Obtaining a detailed description of photochemical reactions in solution requires measuring time-evolving structural dynamics of transient chemical species on ultrafast time scales. Time-resolved vibrational spectroscopies are sensitive probes of molecular structure and dynamics in solution. In this work, we develop doubly resonant fifth-order nonlinear visible-infrared spectroscopies to probe nonequilibrium vibrational dynamics among coupled high-frequency vibrations during an ultrafast charge transfer process using a heterodyne detection scheme. The method enables the simultaneous collection of third- and fifth-order signals, which respectively measure vibrational dynamics occurring on electronic ground and excited states on a femtosecond time scale. Our data collection and analysis strategy allows transient dispersed vibrational echo (t-DVE) and dispersed pump-probe (t-DPP) spectra to be extracted as a function of electronic and vibrational population periods with high signal-to-noise ratio (S/N > 25). We discuss how fifth-order experiments can measure (i) time-dependent anharmonic vibrational couplings, (ii) nonequilibrium frequency-frequency correlation functions, (iii) incoherent and coherent vibrational relaxation and transfer dynamics, and (iv) coherent vibrational and electronic (vibronic) coupling as a function of a photochemical reaction.

  7. Two-level bulk microfabrication of a mechanical broadband vibration amplitude-amplifier with ten coupled resonators

    NASA Astrophysics Data System (ADS)

    Müller, Michelle; Maiwald, Verena; Thiele, Lothar; Beutel, Jan; Roman, Cosmin; Hierold, Christofer

    2018-04-01

    A micromechanical broadband vibration amplitude-amplifier for low power detection of acoustic emission signals is presented. It is based on a coupled mass-spring system and was fabricated in a two-level bulk microfabrication process. The device consists of ten resonators coupled in series, which decrease in mass by a factor of three each, to achieve a high amplification over a broad bandwidth. The fabrication process for this multiscale device is based on front- and backside etching of a silicon-on-insulator wafer. It enables coupling MEMS resonators of two different thicknesses with a weight ratio from largest to smallest mass of 26’244 and reduces die size by resonator stacking. The first ten eigenmodes of the device are in-plane and unidirectional. Steady-state and transient response of the device in comparison to a 1D lumped element model is presented. An average amplitude amplification of 295 over a bandwidth of 10.7 kHz (4.4-15.1 kHz) is achieved and can be reached in less than 1 ms. Applications are low-power detection of short broadband vibration signals e.g. for structural health monitoring (cliffs, pipelines, bridges).

  8. The role of the tunneling matrix element and nuclear reorganization in the design of quantum-dot cellular automata molecules

    NASA Astrophysics Data System (ADS)

    Henry, Jackson; Blair, Enrique P.

    2018-02-01

    Mixed-valence molecules provide an implementation for a high-speed, energy-efficient paradigm for classical computing known as quantum-dot cellular automata (QCA). The primitive device in QCA is a cell, a structure with multiple quantum dots and a few mobile charges. A single mixed-valence molecule can function as a cell, with redox centers providing quantum dots. The charge configuration of a molecule encodes binary information, and device switching occurs via intramolecular electron transfer between dots. Arrays of molecular cells adsorbed onto a substrate form QCA logic. Individual cells in the array are coupled locally via the electrostatic electric field. This device networking enables general-purpose computing. Here, a quantum model of a two-dot molecule is built in which the two-state electronic system is coupled to the dominant nuclear vibrational mode via a reorganization energy. This model is used to explore the effects of the electronic inter-dot tunneling (coupling) matrix element and the reorganization energy on device switching. A semi-classical reduction of the model also is made to investigate the competition between field-driven device switching and the electron-vibrational self-trapping. A strong electron-vibrational coupling (high reorganization energy) gives rise to self-trapping, which inhibits the molecule's ability to switch. Nonetheless, there remains an expansive area in the tunneling-reorganization phase space where molecules can support adequate tunneling. Thus, the relationship between the tunneling matrix element and the reorganization energy affords significant leeway in the design of molecules viable for QCA applications.

  9. Multimodal vibration damping of a plate by piezoelectric coupling to its analogous electrical network

    NASA Astrophysics Data System (ADS)

    Lossouarn, B.; Deü, J.-F.; Aucejo, M.; Cunefare, K. A.

    2016-11-01

    Multimodal damping can be achieved by coupling a mechanical structure to an electrical network exhibiting similar modal properties. Focusing on a plate, a new topology for such an electrical analogue is found from a finite difference approximation of the Kirchhoff-Love theory and the use of the direct electromechanical analogy. Discrete models based on element dynamic stiffness matrices are proposed to simulate square plate unit cells coupled to their electrical analogues through two-dimensional piezoelectric transducers. A setup made of a clamped plate covered with an array of piezoelectric patches is built in order to validate the control strategy and the numerical models. The analogous electrical network is implemented with passive components as inductors, transformers and the inherent capacitance of the piezoelectric patches. The effect of the piezoelectric coupling on the dynamics of the clamped plate is significant as it creates the equivalent of a multimodal tuned mass damping. An adequate tuning of the network then yields a broadband vibration reduction. In the end, the use of an analogous electrical network appears as an efficient solution for the multimodal control of a plate.

  10. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

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

    Adam, Ahmad Y.; Jensen, Per, E-mail: jensen@uni-wuppertal.de; Yachmenev, Andrey

    2015-12-28

    We present the first variational calculation of the isotropic hyperfine coupling constant of the carbon-13 atom in the CH{sub 3} radical for temperatures T = 0, 96, and 300 K. It is based on a newly calculated high level ab initio potential energy surface and hyperfine coupling constant surface of CH{sub 3} in the ground electronic state. The ro-vibrational energy levels, expectation values for the coupling constant, and its temperature dependence were calculated variationally by using the methods implemented in the computer program TROVE. Vibrational energies and vibrational and temperature effects for coupling constant are found to be in verymore » good agreement with the available experimental data. We found, in agreement with previous studies, that the vibrational effects constitute about 44% of the constant’s equilibrium value, originating mainly from the large amplitude out-of-plane bending motion and that the temperature effects play a minor role.« less

  11. Dynamic interaction of monowheel inclined vehicle-vibration platform coupled system with quadratic and cubic nonlinearities

    NASA Astrophysics Data System (ADS)

    Zhou, Shihua; Song, Guiqiu; Sun, Maojun; Ren, Zhaohui; Wen, Bangchun

    2018-01-01

    In order to analyze the nonlinear dynamics and stability of a novel design for the monowheel inclined vehicle-vibration platform coupled system (MIV-VPCS) with intermediate nonlinearity support subjected to a harmonic excitation, a multi-degree of freedom lumped parameter dynamic model taking into account the dynamic interaction of the MIV-VPCS with quadratic and cubic nonlinearities is presented. The dynamical equations of the coupled system are derived by applying the displacement relationship, interaction force relationship at the contact position and Lagrange's equation, which are further discretized into a set of nonlinear ordinary differential equations with coupled terms by Galerkin's truncation. Based on the mathematical model, the coupled multi-body nonlinear dynamics of the vibration system is investigated by numerical method, and the parameters influences of excitation amplitude, mass ratio and inclined angle on the dynamic characteristics are precisely analyzed and discussed by bifurcation diagram, Largest Lyapunov exponent and 3-D frequency spectrum. Depending on different ranges of system parameters, the results show that the different motions and jump discontinuity appear, and the coupled system enters into chaotic behavior through different routes (period-doubling bifurcation, inverse period-doubling bifurcation, saddle-node bifurcation and Hopf bifurcation), which are strongly attributed to the dynamic interaction of the MIV-VPCS. The decreasing excitation amplitude and inclined angle could reduce the higher order bifurcations, and effectively control the complicated nonlinear dynamic behaviors under the perturbation of low rotational speed. The first bifurcation and chaotic motion occur at lower value of inclined angle, and the chaotic behavior lasts for larger intervals with higher rotational speed. The investigation results could provide a better understanding of the nonlinear dynamic behaviors for the dynamic interaction of the MIV-VPCS.

  12. An Indirect Mixed-Sensitivity Approach to Microgravity Vibration Isolation: The Exploitation of Kinematic Coupling In Frequency-Weighting Design-Filter Selections

    NASA Technical Reports Server (NTRS)

    Hampton, R. David; Whorton, Mark S.

    2000-01-01

    Many space science experiments need an active isolation system to provide them with the requisite microgravity environment. The isolation systems planned for use with the International Space Station have been appropriately modeled using relative position, relative velocity, and acceleration states. In theory, frequency design filters can be applied to these state-space models, in order to develop optimal H, or mixed-norm controllers with desired stability- and performance characteristics. In practice. however, the kinematic coupling among the various states can lead, through the associated frequency-weighting-filters, to conflicting demands on the Riccati design "machinery." The results can be numerically ill-conditioned regulator and estimator Riccati equations and/or reduced intuition in the design process. In addition, kinematic coupling can result in a redundancy in the demands imposed by the frequency weights. Failure properly to account for this type of coupling can lead to an unnecessary increase in controller dimensionality and, in turn, controller complexity. This paper suggests a rational approach to the assignment of frequency weighting design filters, in the presence of the kinematic coupling among states that exists in the microgravity vibration isolation problem.

  13. An Indirect Mixed-Sensitivity Approach to Microgravity Vibration Isolation: The Exploitation of Kinematic Coupling In Frequency-weighting Design-Filter Selections

    NASA Technical Reports Server (NTRS)

    Hampton, R. David; Whorton, Mark S.

    2000-01-01

    Many space-science experiments need an active isolation system to provide them with the requisite microgravity environment. The isolation systems planned for use with the International Space Station have been appropriately modeled using relative position relative velocity, and acceleration states. In theory, frequency-weighting design filters can be applied to these state-space models, in order to develop optimal H2 or mixed-norm controllers with desired stability and performance characteristics. In practice, however, the kinematic coupling among the various states can lead, through the associated frequency-weighting-filters, to conflicting demands on the Riccati design "machinery." The results can be numerically ill-conditioned regulator and estimator Riccati equations and/or reduced intuition in the design process. In addition, kinematic coupling can result in a redundancy in the demands imposed by the frequency weights. Failure properly to account for this type of coupling can lead to an unnecessary increase in controller dimensionality and, in turn, controller complexity. This paper suggests a rational approach to the assignment of frequency-weighting design filters, in the presence of the kinematic coupling among states that exists in the microgravity vibration isolation problem.

  14. Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations

    NASA Astrophysics Data System (ADS)

    Madsen, Niels Kristian; Godtliebsen, Ian H.; Losilla, Sergio A.; Christiansen, Ove

    2018-01-01

    A new implementation of vibrational coupled-cluster (VCC) theory is presented, where all amplitude tensors are represented in the canonical polyadic (CP) format. The CP-VCC algorithm solves the non-linear VCC equations without ever constructing the amplitudes or error vectors in full dimension but still formally includes the full parameter space of the VCC[n] model in question resulting in the same vibrational energies as the conventional method. In a previous publication, we have described the non-linear-equation solver for CP-VCC calculations. In this work, we discuss the general algorithm for evaluating VCC error vectors in CP format including the rank-reduction methods used during the summation of the many terms in the VCC amplitude equations. Benchmark calculations for studying the computational scaling and memory usage of the CP-VCC algorithm are performed on a set of molecules including thiadiazole and an array of polycyclic aromatic hydrocarbons. The results show that the reduced scaling and memory requirements of the CP-VCC algorithm allows for performing high-order VCC calculations on systems with up to 66 vibrational modes (anthracene), which indeed are not possible using the conventional VCC method. This paves the way for obtaining highly accurate vibrational spectra and properties of larger molecules.

  15. Energy harvesting by means of flow-induced vibrations on aerospace vehicles

    NASA Astrophysics Data System (ADS)

    Li, Daochun; Wu, Yining; Da Ronch, Andrea; Xiang, Jinwu

    2016-10-01

    This paper reviews the design, implementation, and demonstration of energy harvesting devices that exploit flow-induced vibrations as the main source of energy. Starting with a presentation of various concepts of energy harvesters that are designed to benefit from a general class of flow-induced vibrations, specific attention is then given at those technologies that may offer, today or in the near future, a potential benefit to extend the operational capabilities and to monitor critical parameters of unmanned aerial vehicles. Various phenomena characterized by flow-induced vibrations are discussed, including limit cycle oscillations of plates and wing sections, vortex-induced and galloping oscillations of bluff bodies, vortex-induced vibrations of downstream structures, and atmospheric turbulence and gusts. It was found that linear or linearized modeling approaches are commonly employed to support the design phase of energy harvesters. As a result, highly nonlinear and coupled phenomena that characterize flow-induced vibrations are neglected in the design process. The Authors encourage a shift in the current design paradigm: considering coupled nonlinear phenomena, and adequate modeling tools to support their analysis, from a design limitation to a design opportunity. Special emphasis is placed on identifying designs and implementations applicable to aircraft configurations. Application fields of flow-induced vibrations-based energy harvesters are discussed including power supply for wireless sensor networks and simultaneous energy harvest and control. A large body of work on energy harvesters is included in this review journal. Whereas most of the references claim direct applications to unmanned aerial vehicles, it is apparent that, in most of the cases presented, the working principles and characteristics of the energy harvesters are incompatible with any aerospace applications. Finally, the challenges that hold back the integration of energy harvesting technologies in the aerospace field are discussed.

  16. A study of the vibrational energies of two coupled beams by finite element and green function (receptance) methods

    NASA Astrophysics Data System (ADS)

    Shankar, K.; Keane, A. J.

    1995-04-01

    The behaviour of two hinged-hinged beams, point coupled by springs (translational, rotary and a combination of both) with weak to strong coupling is studied from the point of view of vibrational energies, input power and power transferred through the coupling. Two configurations are studied: in the first case the beams are placed parallel to each other and only the transverse, Euler-Bernoulli modes are considered; the second configuration is more complicated with the beams placed perpendicular to each other, executing axial as well as transverse vibrations. These models are studied by using a finite element analysis (FEA) package and, alternatively, via the modally derived Green functions of the uncoupled subsystems. In both cases the beams are given proportional damping and one of the beams is driven by a point harmonic force. The effects of coupling stiffness and modal summation bandwidth are studied. It is shown that there is good agreement between the FEA and the Green function approach over a range of coupling strengths, but that at higher strengths the number of uncoupled modes used significantly affects the accuracy of the Green function method used here. The beams in the second configuration are then further studied from the point of view of SEA coupling loss factors. The frequency averaged coupling loss factors are calculated for weak and strong coupling, first by using a power injection method, where the power balance equations are formed on the assumption of only direct coupling loss factors. Then, the entire matrix of direct and indirect coupling loss factors is derived by using a deterministic modal approach. These are compared and the indirect coupling loss factors are found to be significant in magnitude in respect to the direct coupling loss factors. Several cases are studied in which the coupling powers and energy levels are predicted by using only the direct coupling loss factors and compared with the exact results obtained by using both direct and indirect factors. These agree only under certain conditions for weak coupling and show rather poorer agreement in the case of strong coupling. This behaviour demonstrates the importance of taking into account indirect coupling loss factors in SEA models having several subsystems.

  17. Prediction of vibrations induced by underground railway traffic in Beijing

    NASA Astrophysics Data System (ADS)

    Gupta, S.; Liu, W. F.; Degrande, G.; Lombaert, G.; Liu, W. N.

    2008-02-01

    This paper examines the problem of subway induced vibrations on line 4 of Beijing metro, which is currently under construction and is planned to pass in close proximity of the Physics Laboratory of Beijing University. The laboratory has a lot of equipment that is very sensitive to traffic induced vibrations and future operation of metro line 4 is a matter of concern. Hence, it is important to study the influence of subway induced vibrations inside the laboratory and to propose a viable solution to mitigate the vibrations. In this paper, the tunnel north of Chengfulu station is modelled using a coupled periodic FE-BE model and the free-field response due to moving trains is predicted. In addition, vibration measurements have been performed on the site of the Physics Laboratory to estimate the existing vibration levels due to road traffic. The predicted and measured vibrations are superimposed to assess the vibrations due to the combined effect of road and railway traffic in the vicinity of the Physics Laboratory. Apart from the numerical investigations, vibration measurements have also been performed on a similar site at line 1 of Beijing metro to substantiate the estimated results on metro line 4. Finally, it is studied how the vibrations can be controlled using a floating slab track, which is widely used as an effective measure of vibration isolation in tunnels. The efficiency of a 7.9 Hz floating slab track as a vibration countermeasure is assessed in this paper. This study demonstrates the applicability of the numerical model for the relevant assessment of subway induced vibrations and its use to study the performance of different track structures in the tunnel.

  18. Controlling coupled bending-twisting vibrations of anisotropic composite wing

    NASA Astrophysics Data System (ADS)

    Ryabov, Victor; Yartsev, Boris

    2018-05-01

    The paper discusses the possibility to control coupled bending-twisting vibrations of anisotropic composite wing by means of the monoclinic structures in the reinforcement of the plating. Decomposing the potential straining energy and kinetic energy of natural vibration modes into interacting and non-interacting parts, it became possible to introduce the two coefficients that integrally consider the effect of geometry and reinforcement structure upon the dynamic response parameters of the wing. The first of these coefficients describes the elastic coupling of the natural vibration modes, the second coefficient describes the inertial one. The paper describes the numerical studies showing how the orientation of considerably anisotropic CRP layers in the plating affects natural frequencies, loss factors, coefficients of elastic and inertial coupling for several lower tones of natural bending-twisting vibrations of the wing. Besides, for each vibration mode, partial values of the above mentioned dynamic response parameters were determined by means of the relationships for orthotropic structures where instead of "free" shearing modulus in the reinforcement plant, "pure" shearing modulus is used. Joint analysis of the obtained results has shown that each pair of bending-twisting vibration modes has its orientation angle ranges of the reinforcing layers where the inertial coupling caused by asymmetry of the cross-section profile with respect to the main axes of inertia decreases, down to the complete extinction, due to the generation of the elastic coupling in the plating material. These ranges are characterized by the two main features: 1) the difference in the natural frequencies of the investigated pair of bending-twisting vibration modes is the minimum and 2) natural frequencies of bending-twisting vibrations belong to a stretch restricted by corresponding partial natural frequencies of the investigated pair of vibration modes. This result is of practical importance because it enables approximate analysis of real composite wings with complex geometry in the existing commercial software packages.

  19. An FEM-based AI approach to model parameter identification for low vibration modes of wind turbine composite rotor blades

    NASA Astrophysics Data System (ADS)

    Navadeh, N.; Goroshko, I. O.; Zhuk, Y. A.; Fallah, A. S.

    2017-11-01

    An approach to construction of a beam-type simplified model of a horizontal axis wind turbine composite blade based on the finite element method is proposed. The model allows effective and accurate description of low vibration bending modes taking into account the effects of coupling between flapwise and lead-lag modes of vibration transpiring due to the non-uniform distribution of twist angle in the blade geometry along its length. The identification of model parameters is carried out on the basis of modal data obtained by more detailed finite element simulations and subsequent adoption of the 'DIRECT' optimisation algorithm. Stable identification results were obtained using absolute deviations in frequencies and in modal displacements in the objective function and additional a priori information (boundedness and monotony) on the solution properties.

  20. Vibration characteristics of two-stage planetary transmission system with thin-walled ring gear on elastic supports

    NASA Astrophysics Data System (ADS)

    Li, JianYing; Hu, QingChun; Zong, ChangFu; Zhu, TianJun; Zhang, ZeXing

    2018-03-01

    A dual-clutch and dual-speed planetary gears mechanism of a hybrid car coupled-system is taken as research subject, in which the ring gear of planet set II is a thin-walled structure and the clutch friction plates of planet set II are used as its elastic supports. Based on the lumped parameter-rigid elastic coupled dynamic model of two-stage planetary transmission system with thin-walled ring gear on elastic supports, the motion differential equations are established and the dynamic responses are solved by the Runge-Kutta method considering each stage internal and external time-varying mesh stiffness. The vibration displacements of each stage ring gear have been affected differently in time-domain, the translational vibration displacement of the ring gear of planet set I are obviously more than the torsional vibration displacement, but it is opposite for the ring gear of planet set II; The translational and torsional vibration responses of each stage ring gear arrive the peak in low-frequency. The analysis results of this paper can enrich the theoretical research of multistage planetary transmission and provide guidance for dynamic design.

  1. Quantum scattering calculations for ro-vibrational de-excitation of CO by hydrogen atoms

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

    Song, Lei; Avoird, Ad van der; Karman, Tijs

    2015-05-28

    We present quantum-mechanical scattering calculations for ro-vibrational relaxation of carbon monoxide (CO) in collision with hydrogen atoms. Collisional cross sections of CO ro-vibrational transitions from v = 1, j = 0 − 30 to v′ = 0, j′ are calculated using the close coupling method for collision energies between 0.1 and 15 000 cm{sup −1} based on the three-dimensional potential energy surface of Song et al. [J. Phys. Chem. A 117, 7571 (2013)]. Cross sections of transitions from v = 1, j ≥ 3 to v′ = 0, j′ are reported for the first time at this level of theory. Alsomore » calculations by the more approximate coupled states and infinite order sudden (IOS) methods are performed in order to test the applicability of these methods to H–CO ro-vibrational inelastic scattering. Vibrational de-excitation rate coefficients of CO (v = 1) are presented for the temperature range from 100 K to 3000 K and are compared with the available experimental and theoretical data. All of these results and additional rate coefficients reported in a forthcoming paper are important for including the effects of H–CO collisions in astrophysical models.« less

  2. Modeling and analysis on ring-type piezoelectric transformers.

    PubMed

    Ho, Shine-Tzong

    2007-11-01

    This paper presents an electromechanical model for a ring-type piezoelectric transformer (PT). To establish this model, vibration characteristics of the piezoelectric ring with free boundary conditions are analyzed in advance. Based on the vibration analysis of the piezoelectric ring, the operating frequency and vibration mode of the PT are chosen. Then, electromechanical equations of motion for the PT are derived based on Hamilton's principle, which can be used to simulate the coupled electromechanical system for the transformer. Such as voltage stepup ratio, input impedance, output impedance, input power, output power, and efficiency are calculated by the equations. The optimal load resistance and the maximum efficiency for the PT will be presented in this paper. Experiments also were conducted to verify the theoretical analysis, and a good agreement was obtained.

  3. Coupled Facility/Payload Vibration Modeling Improvements

    NASA Technical Reports Server (NTRS)

    Carnahan, Timothy M.; Kaiser, Michael

    2015-01-01

    A major phase of aerospace hardware verification is vibration testing. The standard approach for such testing is to use a shaker to induce loads into the payload. In preparation for vibration testing at NASA/GSFC there is an analysis to assess the responses of the payload. A new method of modeling the test is presented that takes into account dynamic interactions between the facility and the payload. This dynamic interaction has affected testing in the past, but been ignored or adjusted for during testing. By modeling the combination of the facility and test article (payload) it is possible to improve the prediction of hardware responses. Many aerospace test facilities work in similar way to those at NASA Goddard Space Flight Center. Lessons learned here should be applicable to other test facilities with similar setups.

  4. Modeling the Elastic and Damping Properties of the Multilayered Torsion Bar-Blade Structure of Rotors of Light Helicopters of the New Generation 2. Finite-Element Approximation of Blades and a Model of Coupling of the Torsion Bar with the Blades

    NASA Astrophysics Data System (ADS)

    Paimushin, V. N.; Shishkin, V. M.

    2016-01-01

    A rod-shape finite element with twelve degrees of freedom is proposed for modeling the elastic and damping properties of rotor blades with regard to their geometric stiffness caused by rotation of the rotor. A model of coupling of the torsion bar with blades is developed based on the hypothesis of linear deplanation of the connecting section of the torsion bar and a special transition element to ensure the compatibility of displacements of the torsion bar and blades upon their vibrations in the flapping and rotation planes. Numerical experiments were carried out to test and assess the validity of the model developed. Suggestions are made for ensuring unconditional stability of the iteration method in a subspace in determining the specified number of modes and frequencies of free vibrations of the torsion bar-blade structure.

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

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about M w = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzedmore » the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic M w = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO 2 leakage, but would certainly be felt by the local population.« less

  6. Static and free-vibration analyses of cracks in thin-shell structures based on an isogeometric-meshfree coupling approach

    NASA Astrophysics Data System (ADS)

    Nguyen-Thanh, Nhon; Li, Weidong; Zhou, Kun

    2018-03-01

    This paper develops a coupling approach which integrates the meshfree method and isogeometric analysis (IGA) for static and free-vibration analyses of cracks in thin-shell structures. In this approach, the domain surrounding the cracks is represented by the meshfree method while the rest domain is meshed by IGA. The present approach is capable of preserving geometry exactness and high continuity of IGA. The local refinement is achieved by adding the nodes along the background cells in the meshfree domain. Moreover, the equivalent domain integral technique for three-dimensional problems is derived from the additional Kirchhoff-Love theory to compute the J-integral for the thin-shell model. The proposed approach is able to address the problems involving through-the-thickness cracks without using additional rotational degrees of freedom, which facilitates the enrichment strategy for crack tips. The crack tip enrichment effects and the stress distribution and displacements around the crack tips are investigated. Free vibrations of cracks in thin shells are also analyzed. Numerical examples are presented to demonstrate the accuracy and computational efficiency of the coupling approach.

  7. Hydrodynamic coupling of two sharp-edged beams vibrating in a viscous fluid

    PubMed Central

    Intartaglia, Carmela; Soria, Leonardo; Porfiri, Maurizio

    2014-01-01

    In this paper, we study flexural vibrations of two thin beams that are coupled through an otherwise quiescent viscous fluid. While most of the research has focused on isolated beams immersed in placid fluids, inertial and viscous hydrodynamic coupling is ubiquitous across a multitude of engineering and natural systems comprising arrays of flexible structures. In these cases, the distributed hydrodynamic loading experienced by each oscillating structure is not only related to its absolute motion but is also influenced by its relative motion with respect to the neighbouring structures. Here, we focus on linear vibrations of two identical beams for low Knudsen, Keulegan–Carpenter and squeeze numbers. Thus, we describe the fluid flow using unsteady Stokes hydrodynamics and we propose a boundary integral formulation to compute pertinent hydrodynamic functions to study the fluid effect. We validate the proposed theoretical approach through experiments on centimetre-size compliant cantilevers that are subjected to underwater base-excitation. We consider different geometric arrangements, beam interdistances and excitation frequencies to ascertain the model accuracy in terms of the relevant non-dimensional parameters. PMID:24511249

  8. Analytical and experimental study of vibrations in a gear transmission

    NASA Technical Reports Server (NTRS)

    Choy, F. K.; Ruan, Y. F.; Zakrajsek, J. J.; Oswald, Fred B.; Coy, J. J.

    1991-01-01

    An analytical simulation of the dynamics of a gear transmission system is presented and compared to experimental results from a gear noise test rig at the NASA Lewis Research Center. The analytical procedure developed couples the dynamic behaviors of the rotor-bearing-gear system with the response of the gearbox structure. The modal synthesis method is used in solving the overall dynamics of the system. Locally each rotor-gear stage is modeled as an individual rotor-bearing system using the matrix transfer technique. The dynamics of each individual rotor are coupled with other rotor stages through the nonlinear gear mesh forces and with the gearbox structure through bearing support systems. The modal characteristics of the gearbox structure are evaluated using the finite element procedure. A variable time steping integration routine is used to calculate the overall time transient behavior of the system in modal coordinates. The global dynamic behavior of the system is expressed in a generalized coordinate system. Transient and steady state vibrations of the gearbox system are presented in the time and frequency domains. The vibration characteristics of a simple single mesh gear noise test rig is modeled. The numerical simulations are compared to experimental data measured under typical operating conditions. The comparison of system natural frequencies, peak vibration amplitudes, and gear mesh frequencies are generally in good agreement.

  9. Nonlinear model and attitude dynamics of flexible spacecraft with large amplitude slosh

    NASA Astrophysics Data System (ADS)

    Deng, Mingle; Yue, Baozeng

    2017-04-01

    This paper is focused on the nonlinearly modelling and attitude dynamics of spacecraft coupled with large amplitude liquid sloshing dynamics and flexible appendage vibration. The large amplitude fuel slosh dynamics is included by using an improved moving pulsating ball model. The moving pulsating ball model is an equivalent mechanical model that is capable of imitating the whole liquid reorientation process. A modification is introduced in the capillary force computation in order to more precisely estimate the settling location of liquid in microgravity or zero-g environment. The flexible appendage is modelled as a three dimensional Bernoulli-Euler beam and the assumed modal method is employed to derive the nonlinear mechanical model for the overall coupled system of liquid filled spacecraft with appendage. The attitude maneuver is implemented by the momentum transfer technique, and a feedback controller is designed. The simulation results show that the liquid sloshing can always result in nutation behavior, but the effect of flexible deformation of appendage depends on the amplitude and direction of attitude maneuver performed by spacecraft. Moreover, it is found that the liquid sloshing and the vibration of flexible appendage are coupled with each other, and the coupling becomes more significant with more rapid motion of spacecraft. This study reveals that the appendage's flexibility has influence on the liquid's location and settling time in microgravity. The presented nonlinear system model can provide an important reference for the overall design of the modern spacecraft composed of rigid platform, liquid filled tank and flexible appendage.

  10. Study on initiative vibration absorbing technology of optics in strong disturbed environment

    NASA Astrophysics Data System (ADS)

    Jia, Si-nan; Xiong, Mu-di; Zou, Xiao-jie

    2007-12-01

    Strong disturbed environment is apt to cause irregular vibration, which seriously affects optical collimation. To improve the performance of laser beam, three-point dynamic vibration absorbing method is proposed, and laser beam initiative vibration absorbing system is designed. The maladjustment signal is detected by position sensitive device (PSD), three groups of PZT are driven to adjust optical element in real-time, so the performance of output-beam is improved. The coupling model of the system is presented. Multivariable adaptive closed-loop decoupling arithmetic is used to design three-input-three-output decoupling controller, so that high precision dynamic adjusting is realized. Experiments indicate that the system has good shock absorbing efficiency.

  11. Flaw investigation in a multi-layered, multi-material composite: Using air-coupled ultrasonic resonance imaging

    NASA Astrophysics Data System (ADS)

    Livings, R. A.; Dayal, V.; Barnard, D. J.; Hsu, D. K.

    2012-05-01

    Ceramic tiles are the main ingredient of a multi-material, multi-layered composite being considered for the modernization of tank armors. The high stiffness, low attenuation, and precise dimensions of these uniform tiles make them remarkable resonators when driven to vibrate. Defects in the tile, during manufacture or after usage, are expected to change the resonance frequencies and resonance images of the tile. The comparison of the resonance frequencies and resonance images of a pristine tile/lay-up to a defective tile/lay-up will thus be a quantitative damage metric. By examining the vibrational behavior of these tiles and the composite lay-up with Finite Element Modeling and analytical plate vibration equations, the development of a new Nondestructive Evaluation technique is possible. This study examines the development of the Air-Coupled Ultrasonic Resonance Imaging technique as applied to a hexagonal ceramic tile and a multi-material, multi-layered composite.

  12. Compact Vibration Damper

    NASA Technical Reports Server (NTRS)

    Ivanco, Thomas G. (Inventor)

    2014-01-01

    A vibration damper includes a rigid base with a mass coupled thereto for linear movement thereon. Springs coupled to the mass compress in response to the linear movement along either of two opposing directions. A converter coupled to the mass converts the linear movement to a corresponding rotational movement. A rotary damper coupled to the converter damps the rotational movement.

  13. Differences in Train-induced Vibration between Hard Soil and Soft Soil

    NASA Astrophysics Data System (ADS)

    Noyori, M.; Yokoyama, H.

    2017-12-01

    Vibration and noise caused by running trains sometimes raises environmental issues. Train-induced vibration is caused by moving static and dynamic axle loads. To reduce the vibration, it is important to clarify the conditions under which the train-induced vibration increases. In this study, we clarified the differences in train-induced vibration between on hard soil and on soft soil using a numerical simulation method. The numerical simulation method we used is a combination of two analysis. The one is a coupled vibration analysis model of a running train, a track and a supporting structure. In the analysis, the excitation force of the viaduct slabs generated by a running train is computed. The other analysis is a three-dimensional vibration analysis model of a supporting structure and the ground into which the excitation force computed by the former analysis is input. As a result of the numerical simulation, the ground vibration in the area not more than 25m from the center of the viaduct is larger under the soft soil condition than that under the hard soil condition in almost all frequency ranges. On the other hand, the ground vibration of 40 and 50Hz at a point 50m from the center of the viaduct under the hard soil condition is larger than that under the soft soil condition. These are consistent with the result of the two-dimensional FEM based on a ground model alone. Thus, we concluded that these results are obtained from not the effects of the running train but the vibration characteristics of the ground.

  14. Vibration-reducing gloves: transmissibility at the palm of the hand in three orthogonal directions.

    PubMed

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

    2013-01-01

    Vibration-reducing (VR) gloves are commonly used as a means to help control exposures to hand-transmitted vibrations generated by powered hand tools. The objective of this study was to characterise the vibration transmissibility spectra and frequency-weighted vibration transmissibility of VR gloves at the palm of the hand in three orthogonal directions. Seven adult males participated in the evaluation of seven glove models using a three-dimensional hand-arm vibration test system. Three levels of hand coupling force were applied in the experiment. This study found that, in general, VR gloves are most effective at reducing vibrations transmitted to the palm along the forearm direction. Gloves that are found to be superior at reducing vibrations in the forearm direction may not be more effective in the other directions when compared with other VR gloves. This casts doubts on the validity of the standardised glove screening test. Practitioner Summary: This study used human subjects to measure three-dimensional vibration transmissibility of vibration-reducing gloves at the palm and identified their vibration attenuation characteristics. This study found the gloves to be most effective at reducing vibrations along the forearm direction. These gloves did not effectively attenuate vibration along the handle axial direction.

  15. Human-simulated intelligent control of train braking response of bridge with MRB

    NASA Astrophysics Data System (ADS)

    Li, Rui; Zhou, Hongli; Wu, Yueyuan; Wang, Xiaojie

    2016-04-01

    The urgent train braking could bring structural response menace to the bridge under passive control. Based on the analysis of breaking dynamics of a train-bridge vibration system, a magnetorheological elastomeric bearing (MRB) whose mechanical parameters are adjustable is designed, tested and modeled. A finite element method (FEM) is carried out to model and optimize a full scale vibration isolation system for railway bridge based on MRB. According to the model above, we also consider the effect of different braking stop positions on the vibration isolation system and classify the bridge longitudinal vibration characteristics into several cases. Because the train-bridge vibration isolation system has multiple vibration states and strongly coupling with nonlinear characteristics, a human-simulated intelligent control (HSIC) algorithm for isolating the bridge vibration under the impact of train braking is proposed, in which the peak shear force of pier top, the displacement of beam and the acceleration of beam are chosen as control goals. The simulation of longitudinal vibration control system under the condition of train braking is achieved by MATLAB. The results indicate that different braking stop positions significantly affect the vibration isolation system and the structural response is the most drastic when the train stops at the third cross-span. With the proposed HSIC smart isolation system, the displacement of bridge beam and peak shear force of pier top is reduced by 53.8% and 34.4%, respectively. Moreover, the acceleration of bridge beam is effectively controlled within limited range.

  16. Integration of car-body flexibility into train-track coupling system dynamics analysis

    NASA Astrophysics Data System (ADS)

    Ling, Liang; Zhang, Qing; Xiao, Xinbiao; Wen, Zefeng; Jin, Xuesong

    2018-04-01

    The resonance vibration of flexible car-bodies greatly affects the dynamics performances of high-speed trains. In this paper, we report a three-dimensional train-track model to capture the flexible vibration features of high-speed train carriages based on the flexible multi-body dynamics approach. The flexible car-body is modelled using both the finite element method (FEM) and the multi-body dynamics (MBD) approach, in which the rigid motions are obtained by using the MBD theory and the structure deformation is calculated by the FEM and the modal superposition method. The proposed model is applied to investigate the influence of the flexible vibration of car-bodies on the dynamics performances of train-track systems. The dynamics performances of a high-speed train running on a slab track, including the car-body vibration behaviour, the ride comfort, and the running safety, calculated by the numerical models with rigid and flexible car-bodies are compared in detail. The results show that the car-body flexibility not only significantly affects the vibration behaviour and ride comfort of rail carriages, but also can has an important influence on the running safety of trains. The rigid car-body model underestimates the vibration level and ride comfort of rail vehicles, and ignoring carriage torsional flexibility in the curving safety evaluation of trains is conservative.

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

    NASA Astrophysics Data System (ADS)

    Simo, Elie

    2007-02-01

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

  18. Two-dimensional vibrational-electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

    2015-10-01

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

  19. Two-dimensional vibrational-electronic spectroscopy.

    PubMed

    Courtney, Trevor L; Fox, Zachary W; Slenkamp, Karla M; Khalil, Munira

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([Fe(III)(CN)6](3-) dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5Fe(II)CNRu(III)(NH3)5](-) dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

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

    NASA Astrophysics Data System (ADS)

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

    2018-01-01

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

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Vibrational-vibrational coupling in air at low humidities

    NASA Technical Reports Server (NTRS)

    Zuckerwar, Allan J.; Miller, Keith W.

    1988-01-01

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

  3. Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline

    NASA Astrophysics Data System (ADS)

    Roy, Santanu; Lessing, Joshua; Meisl, Georg; Ganim, Ziad; Tokmakoff, Andrei; Knoester, Jasper; Jansen, Thomas L. C.

    2011-12-01

    We present a mixed quantum-classical model for studying the amide I vibrational dynamics (predominantly CO stretching) in peptides and proteins containing proline. There are existing models developed for determining frequencies of and couplings between the secondary amide units. However, these are not applicable to proline because this amino acid has a tertiary amide unit. Therefore, a new parametrization is required for infrared-spectroscopic studies of proteins that contain proline, such as collagen, the most abundant protein in humans and animals. Here, we construct the electrostatic and dihedral maps accounting for solvent and conformation effects on frequency and coupling for the proline unit. We examine the quality and the applicability of these maps by carrying out spectral simulations of a number of peptides with proline in D2O and compare with experimental observations.

  4. Solvent and conformation dependence of amide I vibrations in peptides and proteins containing proline.

    PubMed

    Roy, Santanu; Lessing, Joshua; Meisl, Georg; Ganim, Ziad; Tokmakoff, Andrei; Knoester, Jasper; Jansen, Thomas L C

    2011-12-21

    We present a mixed quantum-classical model for studying the amide I vibrational dynamics (predominantly CO stretching) in peptides and proteins containing proline. There are existing models developed for determining frequencies of and couplings between the secondary amide units. However, these are not applicable to proline because this amino acid has a tertiary amide unit. Therefore, a new parametrization is required for infrared-spectroscopic studies of proteins that contain proline, such as collagen, the most abundant protein in humans and animals. Here, we construct the electrostatic and dihedral maps accounting for solvent and conformation effects on frequency and coupling for the proline unit. We examine the quality and the applicability of these maps by carrying out spectral simulations of a number of peptides with proline in D(2)O and compare with experimental observations.

  5. Electric-field-driven electron-transfer in mixed-valence molecules

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

    Blair, Enrique P., E-mail: enrique-blair@baylor.edu; Corcelli, Steven A., E-mail: scorcell@nd.edu; Lent, Craig S., E-mail: lent@nd.edu

    2016-07-07

    Molecular quantum-dot cellular automata is a computing paradigm in which digital information is encoded by the charge configuration of a mixed-valence molecule. General-purpose computing can be achieved by arranging these compounds on a substrate and exploiting intermolecular Coulombic coupling. The operation of such a device relies on nonequilibrium electron transfer (ET), whereby the time-varying electric field of one molecule induces an ET event in a neighboring molecule. The magnitude of the electric fields can be quite large because of close spatial proximity, and the induced ET rate is a measure of the nonequilibrium response of the molecule. We calculate themore » electric-field-driven ET rate for a model mixed-valence compound. The mixed-valence molecule is regarded as a two-state electronic system coupled to a molecular vibrational mode, which is, in turn, coupled to a thermal environment. Both the electronic and vibrational degrees-of-freedom are treated quantum mechanically, and the dissipative vibrational-bath interaction is modeled with the Lindblad equation. This approach captures both tunneling and nonadiabatic dynamics. Relationships between microscopic molecular properties and the driven ET rate are explored for two time-dependent applied fields: an abruptly switched field and a linearly ramped field. In both cases, the driven ET rate is only weakly temperature dependent. When the model is applied using parameters appropriate to a specific mixed-valence molecule, diferrocenylacetylene, terahertz-range ET transfer rates are predicted.« less

  6. The nonlinear dynamics of a spacecraft coupled to the vibration of a contained fluid

    NASA Technical Reports Server (NTRS)

    Peterson, Lee D.; Crawley, Edward F.; Hansman, R. John

    1988-01-01

    The dynamics of a linear spacecraft mode coupled to a nonlinear low gravity slosh of a fluid in a cylindrical tank is investigated. Coupled, nonlinear equations of motion for the fluid-spacecraft dynamics are derived through an assumed mode Lagrangian method. Unlike linear fluid slosh models, this nonlinear slosh model retains two fundamental slosh modes and three secondary modes. An approximate perturbation solution of the equations of motion indicates that the nonlinear coupled system response involves fluid-spacecraft modal resonances not predicted by either a linear, or a nonlinear, uncoupled slosh analysis. Experimental results substantiate the analytical predictions.

  7. Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors

    NASA Astrophysics Data System (ADS)

    Ishii, Hiroyuki; Honma, Keisuke; Kobayashi, Nobuhiko; Hirose, Kenji

    2012-06-01

    We present a methodology to study the charge-transport properties of organic semiconductors by the time-dependent wave-packet diffusion method, taking the polaron effects into account. As an example, we investigate the transport properties of single-crystal pentacene organic semiconductors coupled with inter- and intramolecular vibrations within the mixed Holstein and Peierls model, which describes both hopping and bandlike transport behaviors due to small and large polaron formations. Taking into account static disorders, which inevitably exist in the molecular crystals, we present the temperature dependence of charge-transport properties in competition among the thermal fluctuation of molecular motions, the polaron formation, and the static disorders.

  8. Aero-Mechanical Coupling in a High-Speed Compressor

    DTIC Science & Technology

    2010-02-01

    compressor for which this facility is being designed is a scale model of a single stage of a civil jet engine . A strong non-synchronous blade vibration was...Flutter and resonant vibration characteristics of engine blades . Journal of engineering for gas turbines and power, 119. Thermann, H. and Niehuis, R...changes in airfoil lift associated with the unsteady flow. The blade aerodynamics are approximated by a flat plate, however more complex shapes can be

  9. Anomalous interlayer vibrations in strongly coupled layered PdSe 2

    DOE PAGES

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

    2018-05-04

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

  10. Anomalous interlayer vibrations in strongly coupled layered PdSe 2

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

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

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

  11. Flight and Analytical Methods for Determining the Coupled Vibration Response of Tandem Helicopters

    NASA Technical Reports Server (NTRS)

    Yeates, John E , Jr; Brooks, George W; Houbolt, John C

    1957-01-01

    Chapter one presents a discussion of flight-test and analysis methods for some selected helicopter vibration studies. The use of a mechanical shaker in flight to determine the structural response is reported. A method for the analytical determination of the natural coupled frequencies and mode shapes of vibrations in the vertical plane of tandem helicopters is presented in Chapter two. The coupled mode shapes and frequencies are then used to calculate the response of the helicopter to applied oscillating forces.

  12. Coupled Facility-Payload Vibration Modeling Improvements

    NASA Technical Reports Server (NTRS)

    Carnahan, Timothy M.; Kaiser, Michael A.

    2015-01-01

    A major phase of aerospace hardware verification is vibration testing. The standard approach for such testing is to use a shaker to induce loads into the payload. In preparation for vibration testing at National Aeronautics and Space Administration/Goddard Space Flight Center an analysis is performed to assess the responses of the payload. A new method of modeling the test is presented that takes into account dynamic interactions between the facility and the payload. This dynamic interaction has affected testing in the past, but been ignored or adjusted for during testing. By modeling the combined dynamics of the facility and test article (payload) it is possible to improve the prediction of hardware responses. Many aerospace test facilities work in similar way to those at NASA/Goddard Space Flight Center. Lessons learned here should be applicable to other test facilities with similar setups.

  13. Fuzzy Model-based Pitch Stabilization and Wing Vibration Suppression of Flexible Wing Aircraft.

    NASA Technical Reports Server (NTRS)

    Ayoubi, Mohammad A.; Swei, Sean Shan-Min; Nguyen, Nhan T.

    2014-01-01

    This paper presents a fuzzy nonlinear controller to regulate the longitudinal dynamics of an aircraft and suppress the bending and torsional vibrations of its flexible wings. The fuzzy controller utilizes full-state feedback with input constraint. First, the Takagi-Sugeno fuzzy linear model is developed which approximates the coupled aeroelastic aircraft model. Then, based on the fuzzy linear model, a fuzzy controller is developed to utilize a full-state feedback and stabilize the system while it satisfies the control input constraint. Linear matrix inequality (LMI) techniques are employed to solve the fuzzy control problem. Finally, the performance of the proposed controller is demonstrated on the NASA Generic Transport Model (GTM).

  14. a Study of Vibrational Mode Coupling in 2-FLUOROETHANOL and 1,2-DIFLUOROETHANE Using High-Resolution Infrared Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Mork, Steven Wayne

    High resolution infrared spectroscopy was used to examine intramolecular vibrational interactions in 2 -fluoroethanol (2FE) and 1,2-difluoroethane (DFE). A high resolution infrared spectrophotometer capable of better than 10 MHz spectral resolution was designed and constructed. The excitation source consists of three lasers: an argon-ion pumped dye laser which pumps a color -center laser. The infrared beam from the color-center laser is used to excite sample molecules which are rotationally and vibrationally cooled in a supersonic molecular beam. Rovibrational excitation of the sample molecules is detected by monitoring the kinetic energy of the molecular beam with a bolometer. The high resolution infrared spectrum of 2FE was collected and analyzed over the 2977-2990 cm^ {-1}^ectral region. This region contains the asymmetric CH stretch on the fluorinated carbon. The spectrum revealed extensive perturbations in the rotational fine structure. Analysis of these perturbations has provided a quantitative measure of selective vibrational mode coupling between the C-H stretch and its many neighboring dark vibrational modes. Interestingly, excitation of the C-H stretch is known to induce a photoisomerization reaction between 2FE's Gg^' and Tt conformers. Implications of the role of mode coupling in the reaction mechanism are also addressed. Similarly, the high resolution infrared spectrum of DFE was collected and analyzed over the 2978-2996 cm ^{-1}^ectral region. This region contains the symmetric combination of asymmetric C-H stretches in DFE. Perturbations in the rotational fine structure indicate vibrational mode coupling to a single dark vibrational state. The dark state is split by approximately 19 cm^{-1} due to tunneling between two identical gauche conformers. The coupling mechanism is largely anharmonic with a minor component of B/C-plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. The coupled vibrational mode has been identified as containing C-C torsion, CCF bend and CH_2 rock. As in 2FE, DFE undergoes an isomerization reaction upon excitation of the C-H stretch. Coupling between the C-H stretch and C-C torsion is addressed with respect to the reaction mechanism.

  15. Mechanisms of Coupled Vibrational Relaxation and Dissociation in Carbon Dioxide.

    PubMed

    Armenise, Iole; Kustova, Elena

    2018-05-21

    A complete vibrational state-specific kinetic scheme describing dissociating carbon dioxide mixtures is proposed. CO 2 symmetric, bending and asymmetric vibrations and dissociation-recombination are strongly coupled through inter-mode vibrational energy transfers. Comparative study of state-resolved rate coefficients is carried out; the effect of different transitions may vary considerably with temperature. A non-equilibrium 1-D boundary layer flow typical to hypersonic planetary entry is studied in the state-to-state approach. To assess the sensitivity of fluid-dynamic variables and heat transfer to various vibrational transitions and chemical reactions, corresponding processes are successively included to the kinetic scheme. It is shown that vibrational-translational (VT) transitions in the symmetric and asymmetric modes do not alter the flow and can be neglected whereas the VT 2 exchange in the bending mode is the main channel of vibrational relaxation. Inter-mode vibrational exchanges affect the flow implicitly, through energy redistribution enhancing VT relaxation; the dominating role belongs to near-resonant transitions between symmetric and bending modes as well as between CO molecules and CO 2 asymmetric mode. Strong coupling between VT 2 relaxation and chemical reactions is emphasized. While vibrational distributions and average vibrational energy show strong dependence on the kinetic scheme, the heat flux is more sensitive to chemical reactions.

  16. Active Control of Panel Vibrations Induced by a Boundary Layer Flow

    NASA Technical Reports Server (NTRS)

    Chow, Pao-Liu

    1998-01-01

    In recent years, active and passive control of sound and vibration in aeroelastic structures have received a great deal of attention due to many potential applications to aerospace and other industries. There exists a great deal of research work done in this area. Recent advances in the control of sound and vibration can be found in the several conference proceedings. In this report we will summarize our research findings supported by the NASA grant NAG-1-1175. The problems of active and passive control of sound and vibration has been investigated by many researchers for a number of years. However, few of the articles are concerned with the sound and vibration with flow-structure interaction. Experimental and numerical studies on the coupling between panel vibration and acoustic radiation due to flow excitation have been done by Maestrello and his associates at NASA/Langley Research Center. Since the coupled system of nonlinear partial differential equations is formidable, an analytical solution to the full problem seems impossible. For this reason, we have to simplify the problem to that of the nonlinear panel vibration induced by a uniform flow or a boundary-layer flow with a given wall pressure distribution. Based on this simplified model, we have been able to study the control and stabilization of the nonlinear panel vibration, which have not been treated satisfactorily by other authors. The vibration suppression will clearly reduce the sound radiation power from the panel. The major research findings will be presented in the next three sections. In Section II we shall describe our results on the boundary control of nonlinear panel vibration, with or without flow excitation. Section III is concerned with active control of the vibration and sound radiation from a nonlinear elastic panel. A detailed description of our work on the parametric vibrational control of nonlinear elastic panel will be presented in Section IV. This paper will be submitted to the Journal of Acoustic Society of America for publication.

  17. Vibration test of 1/5 scale H-II launch vehicle

    NASA Astrophysics Data System (ADS)

    Morino, Yoshiki; Komatsu, Keiji; Sano, Masaaki; Minegishi, Masakatsu; Morita, Toshiyuki; Kohsetsu, Y.

    In order to predict dynamic loads on the newly designed Japanese H-II launch vehicle, the adequacy of prediction methods has been assessed by the dynamic scale model testing. The three-dimensional dynamic model was used in the analysis to express coupling effects among axial, lateral (pitch and yaw) and torsional vibrations. The liquid/tank interaction was considered by use of a boundary element method. The 1/5 scale model of the H-II launch vehicle was designed to simulate stiffness and mass properties of important structural parts, such as core/SRB junctions, first and second stage Lox tanks and engine mount structures. Modal excitation of the test vehicle was accomplished with 100-1000 N shakers which produced random or sinusoidal vibrational forces. The vibrational response of the test vehicle was measured at various locations with accelerometers and pressure sensor. In the lower frequency range, corresmpondence between analysis and experiment was generally good. The basic procedures in analysis seem to be adequate so far, but some improvements in mathematical modeling are suggested by comparison of test and analysis.

  18. Temperature-dependent conformations of exciton-coupled Cy3 dimers in double-stranded DNA

    NASA Astrophysics Data System (ADS)

    Kringle, Loni; Sawaya, Nicolas P. D.; Widom, Julia; Adams, Carson; Raymer, Michael G.; Aspuru-Guzik, Alán; Marcus, Andrew H.

    2018-02-01

    Understanding the properties of electronically interacting molecular chromophores, which involve internally coupled electronic-vibrational motions, is important to the spectroscopy of many biologically relevant systems. Here we apply linear absorption, circular dichroism, and two-dimensional fluorescence spectroscopy to study the polarized collective excitations of excitonically coupled cyanine dimers (Cy3)2 that are rigidly positioned within the opposing sugar-phosphate backbones of the double-stranded region of a double-stranded (ds)-single-stranded (ss) DNA fork construct. We show that the exciton-coupling strength of the (Cy3)2-DNA construct can be systematically varied with temperature below the ds-ss DNA denaturation transition. We interpret spectroscopic measurements in terms of the Holstein vibronic dimer model, from which we obtain information about the local conformation of the (Cy3)2 dimer, as well as the degree of static disorder experienced by the Cy3 monomer and the (Cy3)2 dimer probe locally within their respective DNA duplex environments. The properties of the (Cy3)2-DNA construct we determine suggest that it may be employed as a useful model system to test fundamental concepts of protein-DNA interactions and the role of electronic-vibrational coherence in electronic energy migration within exciton-coupled bio-molecular arrays.

  19. Experimental validation of a numerical 3-D finite model applied to wind turbines design under vibration constraints: TREVISE platform

    NASA Astrophysics Data System (ADS)

    Sellami, Takwa; Jelassi, Sana; Darcherif, Abdel Moumen; Berriri, Hanen; Mimouni, Med Faouzi

    2018-04-01

    With the advancement of wind turbines towards complex structures, the requirement of trusty structural models has become more apparent. Hence, the vibration characteristics of the wind turbine components, like the blades and the tower, have to be extracted under vibration constraints. Although extracting the modal properties of blades is a simple task, calculating precise modal data for the whole wind turbine coupled to its tower/foundation is still a perplexing task. In this framework, this paper focuses on the investigation of the structural modeling approach of modern commercial micro-turbines. Thus, the structural model a complex designed wind turbine, which is Rutland 504, is established based on both experimental and numerical methods. A three-dimensional (3-D) numerical model of the structure was set up based on the finite volume method (FVM) using the academic finite element analysis software ANSYS. To validate the created model, experimental vibration tests were carried out using the vibration test system of TREVISE platform at ECAM-EPMI. The tests were based on the experimental modal analysis (EMA) technique, which is one of the most efficient techniques for identifying structures parameters. Indeed, the poles and residues of the frequency response functions (FRF), between input and output spectra, were calculated to extract the mode shapes and the natural frequencies of the structure. Based on the obtained modal parameters, the numerical designed model was up-dated.

  20. Prediction of Ground Vibration from Freight Trains

    NASA Astrophysics Data System (ADS)

    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.

  1. Millimeter-wave spectroscopy of syn formyl azide (HC(O)N3) in seven vibrational states

    NASA Astrophysics Data System (ADS)

    Walters, Nicholas A.; Amberger, Brent K.; Esselman, Brian J.; Woods, R. Claude; McMahon, Robert J.

    2017-01-01

    Millimeter-wave spectra for formyl azide (HC(O)N3) were obtained from 240 to 360 GHz at ambient temperature. For the ground state of syn formyl azide, over 1500 independent rotational transitions were measured and least-squares fit to a complete S-reduced 8th order centrifugal distortion/rigid rotor Hamiltonian. The decomposition of formyl azide was monitored over a period of several hours, the half-life (t½ = 30 min) was determined, and its decomposition products were investigated. Transitions from five vibrational satellites of syn formyl azide (ν9, ν12, 2ν9, ν9 + ν12, and ν11) were observed, measured, and least-squares fit to complete or nearly complete octic centrifugally-distorted, single-state S-reduced models. A less complete single-state fit of 3ν9 (509.3 cm-1) was obtained from an unperturbed subset of its assignable transitions. This state is apparently coupled to the fundamental ν8 (489.4 cm-1) and the overtone 2ν12 (503.6 cm-1), but the coupling remains unanalyzed. Anharmonic CCSD(T)/ANO1 estimates of the vibrational frequencies of syn formyl azide were in close agreement with previously published experimental and computational values. Experimentally determined vibration-rotation interaction (αi) values were in excellent agreement with coupled-cluster predicted αi values for the fundamentals ν9, ν12, and ν11.

  2. Influence of torsional-lateral coupling on stability behavior of geared rotor systems

    NASA Technical Reports Server (NTRS)

    Schwibinger, P.; Nordmann, R.

    1987-01-01

    In high-performance turbomachinery trouble often arises because of unstable nonsynchronous lateral vibrations. The instabilities are mostly caused by oil-film bearings, clearance excitation, internal damping, annular pressure seals in pumps, or labyrinth seals in turbocompressors. In recent times the coupling between torsional and lateral vibrations has been considered as an additional influence. This coupling is of practical importance in geared rotor systems. The literature describes some field problems in geared drive trains where unstable lateral vibrations occurred together with torsional oscillations. This paper studies the influence of the torsional-lateral coupling on the stability behavior of a simple geared system supported by oil-film bearings. The coupling effect is investigated by parameter studies and a sensitivity analysis for the uncoupled and coupled systems.

  3. Characterisation of the human-seat coupling in response to vibration.

    PubMed

    Kim, Eunyeong; Fard, Mohammad; Kato, Kazuhito

    2017-08-01

    Characterising the coupling between the occupant and vehicle seat is necessary to understand the transmission of vehicle seat vibration to the human body. In this study, the vibration characteristics of the human body coupled with a vehicle seat were identified in frequencies up to 100 Hz. Transmissibilities of three volunteers seated on two different vehicle seats were measured under multi-axial random vibration excitation. The results revealed that the human-seat system vibration was dominated by the human body and foam below 10 Hz. Major coupling between the human body and the vehicle seat-structure was observed in the frequency range of 10-60 Hz. There was local coupling of the system dominated by local resonances of seat frame and seat surface above 60 Hz. Moreover, the transmissibility measured on the seat surface between the human and seat foam is suggested to be a good method of capturing human-seat system resonances rather than that measured on the human body in high frequencies above 10 Hz.Practitioner Summary: The coupling characteristics of the combined human body and vehicle seat system has not yet been fully understood in frequencies of 0.5-100 Hz. This study shows the human-seat system has distinctive dynamic coupling characteristics in three different frequency regions: below 10 Hz, 10-60 Hz, and above 60 Hz.

  4. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.

    PubMed

    Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R; Hildenbrand, Heiko; Engel, Volker

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  5. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

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

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  6. Study on model design and dynamic similitude relations of vibro-acoustic experiment for elastic cavity

    NASA Astrophysics Data System (ADS)

    Shi, Ao; Lu, Bo; Yang, Dangguo; Wang, Xiansheng; Wu, Junqiang; Zhou, Fangqi

    2018-05-01

    Coupling between aero-acoustic noise and structural vibration under high-speed open cavity flow-induced oscillation may bring about severe random vibration of the structure, and even cause structure to fatigue destruction, which threatens the flight safety. Carrying out the research on vibro-acoustic experiments of scaled down model is an effective means to clarify the effects of high-intensity noise of cavity on structural vibration. Therefore, in allusion to the vibro-acoustic experiments of cavity in wind tunnel, taking typical elastic cavity as the research object, dimensional analysis and finite element method were adopted to establish the similitude relations of structural inherent characteristics and dynamics for distorted model, and verifying the proposed similitude relations by means of experiments and numerical simulation. Research shows that, according to the analysis of scale-down model, the established similitude relations can accurately simulate the structural dynamic characteristics of actual model, which provides theoretic guidance for structural design and vibro-acoustic experiments of scaled down elastic cavity model.

  7. Direct observation of vibrational energy dispersal via methyl torsions.

    PubMed

    Gardner, Adrian M; Tuttle, William D; Whalley, Laura E; Wright, Timothy G

    2018-02-28

    Explicit evidence for the role of methyl rotor levels in promoting energy dispersal is reported. A set of coupled zero-order vibration/vibration-torsion (vibtor) levels in the S 1 state of para -fluorotoluene ( p FT) are investigated. Two-dimensional laser-induced fluorescence (2D-LIF) and two-dimensional zero-kinetic-energy (2D-ZEKE) spectra are reported, and the assignment of the main features in both sets of spectra reveals that the methyl torsion is instrumental in providing a route for coupling between vibrational levels of different symmetry classes. We find that there is very localized, and selective, dissipation of energy via doorway states, and that, in addition to an increase in the density of states, a critical role of the methyl group is a relaxation of symmetry constraints compared to direct vibrational coupling.

  8. Prediction of the interior noise levels of high-speed propeller-driven aircraft

    NASA Technical Reports Server (NTRS)

    Rennison, D. C.; Wilby, J. F.; Wilby, E. G.

    1980-01-01

    The theoretical basis for an analytical model developed to predict the interior noise levels of high-speed propeller-driven airplanes is presented. Particular emphasis is given to modeling the transmission of discrete tones through a fuselage element into a cavity, estimates for the mean and standard deviation of the acoustic power flow, the coupling between a non-homogeneous excitation and the fuselage vibration response, and the prediction of maximum interior noise levels. The model allows for convenient examination of the various roles of the excitation and fuselage structural characteristics on the fuselage vibration response and the interior noise levels, as is required for the design of model or prototype noise control validation tests.

  9. Closed Loop Adaptive Refinement of Dynamical Models for Complex Chemical Reactions

    DTIC Science & Technology

    2008-06-26

    rotational energy Erot , bond length, or bond angle of the products, the corresponding RS-HDMR component functions, cf. eq. (??), can be constructed from a...rotational energy ∆ Erot , and (3) the H2O vibrational energy ∆Evib. The usually strong Coriolis coupling, for example, between H2O rotational and...averaged vibrational energy) is usually considered after the collision. On the other hand, the corresponding internal energy Eint = Evib+ Erot will remain

  10. Vibration and noise characteristics of an elevated box girder paved with different track structures

    NASA Astrophysics Data System (ADS)

    Li, Xiaozhen; Liang, Lin; Wang, Dangxiong

    2018-07-01

    The vibration and noise of elevated concrete box girders (ECBGs) are now among the most concerned issues in the field of urban rail transit (URT) systems. The track structure, belonging to critical load-transfer components, directly affects the characteristics of loading transmission into bridge, as well as the noise radiation from such system, which further determines the reduction of vibration and noise in ECBGs significantly. In order to investigate the influence of different track structures on the vibration and structure-borne noise of ECBGs, a frequency-domain theoretical model of vehicle-track coupled system, taking into account the effect of multiple wheels, is firstly established in the present work. The analysis of track structures focuses on embedded sleepers, trapezoidal sleepers, and steel-spring floating slabs (SSFS). Next, a vibration and noise field test was performed, with regard to a 30 m simple supported ECBG (with the embedded-sleeper track structure) of an URT system. Based on the tested results, two numerical models, involving a finite element model for the vibration analysis, as well as a statistical energy analysis (SEA) model for the prediction of the noise radiation, are established and validated. The results of the numerical simulations and the field tests are well matched, which offers opportunities to predict the vibration and structure-borne noise of ECBGs by the proposed modelling methodology. From the comparison between the different types of track structures, the spatial distribution and reduction effect of vibration and noise are lastly studied. The force applied on ECBG is substantially determined by both the wheel-rail force (external factor) and the transmission rate of track structure (internal factor). The SSFS track is the most effective for vibration and noise reduction of ECBGs, followed in descending order by the trapezoidal-sleeper and embedded-sleeper tracks. The above result provides a theoretical basis for the vibration and noise reduction design of urban rail transit systems.

  11. Vibration-reducing gloves: transmissibility at the palm of the hand in three orthogonal directions

    PubMed Central

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

    2015-01-01

    Vibration-reducing (VR) gloves are commonly used as a means to help control exposures to hand-transmitted vibrations generated by powered hand tools. The objective of this study was to characterise the vibration transmissibility spectra and frequency-weighted vibration transmissibility of VR gloves at the palm of the hand in three orthogonal directions. Seven adult males participated in the evaluation of seven glove models using a three-dimensional hand–arm vibration test system. Three levels of hand coupling force were applied in the experiment. This study found that, in general, VR gloves are most effective at reducing vibrations transmitted to the palm along the forearm direction. Gloves that are found to be superior at reducing vibrations in the forearm direction may not be more effective in the other directions when compared with other VR gloves. This casts doubts on the validity of the standardised glove screening test. Practitioner Summary This study used human subjects to measure three-dimensional vibration transmissibility of vibration-reducing gloves at the palm and identified their vibration attenuation characteristics. This study found the gloves to be most effective at reducing vibrations along the forearm direction. These gloves did not effectively attenuate vibration along the handle axial direction. PMID:24160755

  12. IOS and ECS line coupling calculation for the CO-He system - Influence on the vibration-rotation band shapes

    NASA Technical Reports Server (NTRS)

    Boissoles, J.; Boulet, C.; Robert, D.; Green, S.

    1987-01-01

    Line coupling coefficients resulting from rotational excitation of CO perturbed by He are computed within the infinite order sudden approximation (IOSA) and within the energy corrected sudden approximation (ECSA). The influence of this line coupling on the 1-0 CO-He vibration-rotation band shape is then computed for the case of weakly overlapping lines in the 292-78 K temperature range. The IOS and ECS results differ only at 78 K by a weak amount at high frequencies. Comparison with an additive superposition of Lorentzian lines shows strong modifications in the troughs between the lines. These calculated modifications are in excellent quantitative agreement with recent experimental data for all the temperatures considered. The applicability of previous approaches to CO-He system, based on either the strong collision model or exponential energy gap law, is also discussed.

  13. Voltage‐Controlled Switching of Strong Light–Matter Interactions using Liquid Crystals

    PubMed Central

    Hertzog, Manuel; Rudquist, Per; Hutchison, James A.; George, Jino; Ebbesen, Thomas W.

    2017-01-01

    Abstract We experimentally demonstrate a fine control over the coupling strength of vibrational light–matter hybrid states by controlling the orientation of a nematic liquid crystal. Through an external voltage, the liquid crystal is seamlessly switched between two orthogonal directions. Using these features, for the first time, we demonstrate electrical switching and increased Rabi splitting through transition dipole moment alignment. The C−Nstr vibration on the liquid crystal molecule is coupled to a cavity mode, and FT‐IR is used to probe the formed vibropolaritonic states. A switching ratio of the Rabi splitting of 1.78 is demonstrated between the parallel and the perpendicular orientation. Furthermore, the orientational order increases the Rabi splitting by 41 % as compared to an isotropic liquid. Finally, by examining the influence of molecular alignment on the Rabi splitting, the scalar product used in theoretical modeling between light and matter in the strong coupling regime is verified. PMID:29155469

  14. Vibrational resonances in biological systems at microwave frequencies.

    PubMed

    Adair, Robert K

    2002-03-01

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

  15. Feasibility of hydroxyl concentration measurements by laser-saturated fluorescence in high-pressure flames

    NASA Technical Reports Server (NTRS)

    Carter, Campbell D.; King, Galen B.; Laurendeau, Normand M.; Salmon, J. Thaddeus

    1987-01-01

    The effect of pressure on the laser-saturated fluorescence method for measuring OH concentration in high-pressure flames is studied using calculations for the burned-gas region of a stoichiometric H2-O2 flame at 2000 K. A numerical model of the excitation dynamics of OH is developed to explore the validity of the balanced cross-rate model at higher pressures. It is shown that depopulation of the laser-coupled levels is sensitive to collisions which depopulate v-double-prime (VDP) = 0 and to rate coefficients for rotational transfer in the ground state which are smaller than those in the excited state. In particular, it is shown that the depopulation of VDP = 0, and hence the laser-coupled levels, depends on the probability of electronic quenching to vibrational levels for which VDP is greater than 0 and vibrational relaxation to VDP = 0.

  16. Theoretical modeling, simulation and experimental study of hybrid piezoelectric and electromagnetic energy harvester

    NASA Astrophysics Data System (ADS)

    Li, Ping; Gao, Shiqiao; Cong, Binglong

    2018-03-01

    In this paper, performances of vibration energy harvester combined piezoelectric (PE) and electromagnetic (EM) mechanism are studied by theoretical analysis, simulation and experimental test. For the designed harvester, electromechanical coupling modeling is established, and expressions of vibration response, output voltage, current and power are derived. Then, performances of the harvester are simulated and tested; moreover, the power charging rechargeable battery is realized through designed energy storage circuit. By the results, it's found that compared with piezoelectric-only and electromagnetic-only energy harvester, the hybrid energy harvester can enhance the output power and harvesting efficiency; furthermore, at the harmonic excitation, output power of harvester linearly increases with acceleration amplitude increasing; while it enhances with acceleration spectral density increasing at the random excitation. In addition, the bigger coupling strength, the bigger output power is, and there is the optimal load resistance to make the harvester output the maximal power.

  17. The dance of molecules: new dynamical perspectives on highly excited molecular vibrations.

    PubMed

    Kellman, Michael E; Tyng, Vivian

    2007-04-01

    At low energies, molecular vibrational motion is described by the normal modes model. This model breaks down at higher energy, with strong coupling between normal modes and onset of chaotic dynamics. New anharmonic modes are born in bifurcations, or branchings of the normal modes. Knowledge of these new modes is obtained through the window of frequency-domain spectroscopy, using techniques of nonlinear classical dynamics. It may soon be possible to "watch" molecular rearrangement reactions spectroscopically. Connections are being made with reaction rate theories, condensed phase systems, and motions of electrons in quantum dots.

  18. Is back-electron transfer process in Betaine-30 coherent?

    NASA Astrophysics Data System (ADS)

    Rafiq, Shahnawaz; Scholes, Gregory D.

    2017-09-01

    The possible role of coherent vibrational motion in ultrafast photo-induced electron transfer remains unclear despite considerable experimental and theoretical advances. We revisited this problem by tracking the back-electron transfer (bET) process in Betaine-30 with broadband pump-probe spectroscopy. Dephasing time constant of certain high-frequency vibrations as a function of solvent shows a trend similar to the ET rates. In the purview of Bixon-Jortner model, high-frequency quantum vibrations bridge the reactant-product energy gap by providing activationless vibronic channels. Such interaction reduces the effective coupling significantly and thereby the coherence effects are eliminated due to energy gap fluctuations, making the back-electron transfer incoherent.

  19. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    DOE PAGES

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; ...

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about M w = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzedmore » the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic M w = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO 2 leakage, but would certainly be felt by the local population.« less

  20. Modeling and experimental analysis of the linear ultrasonic motor with in-plane bending and longitudinal mode.

    PubMed

    Wan, Zhijian; Hu, Hong

    2014-03-01

    A novel linear ultrasonic motor based on in-plane longitudinal and bending mode vibration is presented in this paper. The stator of the motor is composed of a metal plate and eight piezoelectric ceramic patches. There are four long holes in the plate, designed for consideration of the longitudinal and bending mode coupling. The corresponding model is developed to optimize the mechanical and electrical coupling of the stator, which causes an ellipse motion at the contact tip of the stator when the composite vibrations with longitudinal and bending are excited. Its harmonic and transient responses are simulated and inspected. A prototype based on the model is fabricated and used to conduct experiments. Results show that the amplitude of the stator's contact tips is significantly increased, which helps to amplify the driving force and speed of the motor. It is therefore feasible to implement effective linear movement using the developed prototype. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Control volume analyses of glottal flow using a fully-coupled numerical fluid-structure interaction model

    NASA Astrophysics Data System (ADS)

    Yang, Jubiao; Krane, Michael; Zhang, Lucy

    2013-11-01

    Vocal fold vibrations and the glottal jet are successfully simulated using the modified Immersed Finite Element method (mIFEM), a fully coupled dynamics approach to model fluid-structure interactions. A self-sustained and steady vocal fold vibration is captured given a constant pressure input at the glottal entrance. The flow rates at different axial locations in the glottis are calculated, showing small variations among them due to the vocal fold motion and deformation. To further facilitate the understanding of the phonation process, two control volume analyses, specifically with Bernoulli's equation and Newton's 2nd law, are carried out for the glottal flow based on the simulation results. A generalized Bernoulli's equation is derived to interpret the correlations between the velocity and pressure temporally and spatially along the center line which is a streamline using a half-space model with symmetry boundary condition. A specialized Newton's 2nd law equation is developed and divided into terms to help understand the driving mechanism of the glottal flow.

  2. A semi-analytical beam model for the vibration of railway tracks

    NASA Astrophysics Data System (ADS)

    Kostovasilis, D.; Thompson, D. J.; Hussein, M. F. M.

    2017-04-01

    The high frequency dynamic behaviour of railway tracks, in both vertical and lateral directions, strongly affects the generation of rolling noise as well as other phenomena such as rail corrugation. An improved semi-analytical model of a beam on an elastic foundation is introduced that accounts for the coupling of the vertical and lateral vibration. The model includes the effects of cross-section asymmetry, shear deformation, rotational inertia and restrained warping. Consideration is given to the fact that the loads at the rail head, as well as those exerted by the railpads at the rail foot, may not act through the centroid of the section. The response is evaluated for a harmonic load and the solution is obtained in the wavenumber domain. Results are presented as dispersion curves for free and supported rails and are validated with the aid of a Finite Element (FE) and a waveguide finite element (WFE) model. Closed form expressions are derived for the forced response, and validated against the WFE model. Track mobilities and decay rates are presented to assess the potential implications for rolling noise and the influence of the various sources of vertical-lateral coupling. Comparison is also made with measured data. Overall, the model presented performs very well, especially for the lateral vibration, although it does not contain the high frequency cross-section deformation modes. The most significant effects on the response are shown to be the inclusion of torsion and foundation eccentricity, which mainly affect the lateral response.

  3. Axial vibrations of brass wind instrument bells and their acoustical influence: Theory and simulations.

    PubMed

    Kausel, Wilfried; Chatziioannou, Vasileios; Moore, Thomas R; Gorman, Britta R; Rokni, Michelle

    2015-06-01

    Previous work has demonstrated that structural vibrations of brass wind instruments can audibly affect the radiated sound. Furthermore, these broadband effects are not explainable by assuming perfect coincidence of the frequency of elliptical structural modes with air column resonances. In this work a mechanism is proposed that has the potential to explain the broadband influences of structural vibrations on acoustical characteristics such as input impedance, transfer function, and radiated sound. The proposed mechanism involves the coupling of axial bell vibrations to the internal air column. The acoustical effects of such axial bell vibrations have been studied by extending an existing transmission line model to include the effects of a parasitic flow into vibrating walls, as well as distributed sound pressure sources due to periodic volume fluctuations in a duct with oscillating boundaries. The magnitude of these influences in typical trumpet bells, as well as in a complete instrument with an unbraced loop, has been studied theoretically. The model results in predictions of input impedance and acoustical transfer function differences that are approximately 1 dB for straight instruments and significantly higher when coiled tubes are involved or when very thin brass is used.

  4. Two-dimensional vibrational-electronic spectroscopy

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

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE)more » to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.« less

  5. Noise and diffusion of a vibrated self-propelled granular particle

    NASA Astrophysics Data System (ADS)

    Walsh, Lee; Wagner, Caleb G.; Schlossberg, Sarah; Olson, Christopher; Baskaran, Aparna; Menon, Narayanan

    Granular materials are an important physical realization of active matter. In vibration-fluidized granular matter, both diffusion and self-propulsion derive from the same collisional forcing, unlike many other active systems where there is a clean separation between the origin of single-particle mobility and the coupling to noise. Here we present experimental studies of single-particle motion in a vibrated granular monolayer, along with theoretical analysis that compares grain motion at short and long time scales to the assumptions and predictions, respectively, of the active Brownian particle (ABP) model. The results demonstrate that despite the unique relation between noise and propulsion, granular media do show the generic features predicted by the ABP model and indicate that this is a valid framework to predict collective phenomena. Additionally, our scheme of analysis for validating the inputs and outputs of the model can be applied to other granular and non-granular systems.

  6. Vibration-rotation interactions and ring-puckering in 3,3-dimethyl oxetane by microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    López, Juan C.; Lesarri, Alberto G.; Villamañán, Rosa M.; Alonso, Josél.

    1990-06-01

    Ring puckering in 3,3-dimethyl oxetane has been investigated using microwave spectroscopy. Microwave spectra of the ground state, the first six ring-puckering excited states, and nine excited states of the methyl groups' deformation vibrations have been observed. The μa electric dipole moment component has been determined as 2.03(3) D from Stark-effect measurements. The vibrational dependence of the rotational constants is consistent with the ring-puckering potential function derived by Duckett et al. ( J. Mol. Spectrosc.69, 159-165 (1978)). Coriolis coupling interactions have been observed and are satisfactorily accounted for with a quartic centrifugal distortion Hamiltonian. The vibrational dependence of the centrifugal distortion constants has been analyzed using the theory developed by Creswell and Mills. In order to reproduce the experimental value of the vibration-rotation interaction parameter, {δμ ab}/{δQ}, a dynamical model allowing the rocking of the CH 3CCH 3 group should be used. The equilibrium ring puckering angle calculated with this model and the ring-puckering potential function is 17.5°.

  7. Fluid-Structure Interactions with Flexible and Rigid Bodies

    NASA Astrophysics Data System (ADS)

    Daily, David Jesse

    Fluid structure interactions occur to some extent in nearly every type of fluid flow. Understanding how structures interact with fluids and visa-versa is of vital importance in many engineering applications. The purpose of this research is to explore how fluids interact with flexible and rigid structures. A computational model was used to model the fluid structure interactions of vibrating synthetic vocal folds. The model simulated the coupling of the fluid and solid domains using a fluid-structure interface boundary condition. The fluid domain used a slightly compressible flow solver to allow for the possibility of acoustic coupling with the subglottal geometry and vibration of the vocal fold model. As the subglottis lengthened, the frequency of vibration decreased until a new acoustic mode could form in the subglottis. Synthetic aperture particle image velocimetry (SAPIV) is a three-dimensional particle tracking technique. SAPIV was used to image the jet of air that emerges from vibrating human vocal folds (glottal jet) during phonation. The three-dimensional reconstruction of the glottal jet found faint evidence of flow characteristics seen in previous research, such as axis-switching, but did not have sufficient resolution to detect small features. SAPIV was further applied to reconstruct the smaller flow characteristics of the glottal jet of vibrating synthetic vocal folds. Two- and four-layer synthetic vocal fold models were used to determine how the glottal jet from the synthetic models compared to the glottal jet from excised human vocal folds. The two- and four-layer models clearly exhibited axis-switching which has been seen in other 3D analyses of the glottal jet. Cavitation in a quiescent fluid can break a rigid structure such as a glass bottle. A new cavitation number was derived to include acceleration and pressure head at cavitation onset. A cavitation stick was used to validate the cavitation number by filling it with different depths and hitting the stick to cause fluid cavitation. Acceleration was measured using an accelerometer and cavitation bubbles were detected using a high-speed camera. Cavitation in an accelerating fluid occurred at a cavitation number of 1. Keywords: Fluid structure interaction, vocal folds, acoustics, SAPIV, cavitation, slightly compressible

  8. Micro-Vibration Performance Prediction of SEPTA24 Using SMeSim (RUAG Space Mechanism Simulator Tool)

    NASA Astrophysics Data System (ADS)

    Omiciuolo, Manolo; Lang, Andreas; Wismer, Stefan; Barth, Stephan; Szekely, Gerhard

    2013-09-01

    Scientific space missions are currently challenging the performances of their payloads. The performances can be dramatically restricted by micro-vibration loads generated by any moving parts of the satellites, thus by Solar Array Drive Assemblies too. Micro-vibration prediction of SADAs is therefore very important to support their design and optimization in the early stages of a programme. The Space Mechanism Simulator (SMeSim) tool, developed by RUAG, enhances the capability of analysing the micro-vibration emissivity of a Solar Array Drive Assembly (SADA) under a specified set of boundary conditions. The tool is developed in the Matlab/Simulink® environment throughout a library of blocks simulating the different components a SADA is made of. The modular architecture of the blocks, assembled by the user, and the set up of the boundary conditions allow time-domain and frequency-domain analyses of a rigid multi-body model with concentrated flexibilities and coupled- electronic control of the mechanism. SMeSim is used to model the SEPTA24 Solar Array Drive Mechanism and predict its micro-vibration emissivity. SMeSim and the return of experience earned throughout its development and use can now support activities like verification by analysis of micro-vibration emissivity requirements and/or design optimization to minimize the micro- vibration emissivity of a SADA.

  9. Hybrid simulations of solenoidal radio-frequency inductively coupled hydrogen discharges at low pressures

    NASA Astrophysics Data System (ADS)

    Yang, Wei; Li, Hong; Gao, Fei; Wang, You-Nian

    2016-12-01

    In this article, we have described a radio-frequency (RF) inductively coupled H2 plasma using a hybrid computational model, incorporating the Maxwell equations and the linear part of the electron Boltzmann equation into global model equations. This report focuses on the effects of RF frequency, gas pressure, and coil current on the spatial profiles of the induced electric field and plasma absorption power density. The plasma parameters, i.e., plasma density, electron temperature, density of negative ion, electronegativity, densities of neutral species, and dissociation degree of H2, as a function of absorption power, are evaluated at different gas pressures. The simulation results show that the utilization efficiency of the RF source characterized by the coupling efficiency of the RF electric field and power to the plasma can be significantly improved at the low RF frequency, gas pressure, and coil current, due to a low plasma density in these cases. The densities of vibrational states of H2 first rapidly increase with increasing absorption power and then tend to saturate. This is because the rapidly increased dissociation degree of H2 with increasing absorption power somewhat suppresses the increase of the vibrational states of H2, thus inhibiting the increase of the H-. The effects of absorption power on the utilization efficiency of the RF source and the production of the vibrational states of H2 should be considered when setting a value of the coil current. To validate the model simulations, the calculated electron density and temperature are compared with experimental measurements, and a reasonable agreement is achieved.

  10. Flaw detection in a multi-material multi-layered composite: using fem and air-coupled ut

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

    Livings, R. A.; Dayal, V.; Barnard, D. J.

    Ceramic tiles are the main ingredient of a multi-layer multi-material composite being considered for the modernization of tank armors. The high stiffness, low attenuation, and precise dimensions of these uniform tiles make them remarkable resonators when driven to vibrate. This study is aimed at modeling the vibration modes of the tiles and the composite lay-up with finite element analysis and comparing the results with the resonance modes observed in air-coupled ultrasonic excitation of the tiles and armor samples. Defects in the tile, during manufacturing and/or after usage, are expected to change the resonance modes. The comparison of a pristine tile/lay-upmore » and a defective tile/lay-up will thus be a quantitative damage metric. The understanding of the vibration behavior of the tile, both by itself and in the composite lay-up, can provide useful guidance to the nondestructive evaluation of armor panels containing ceramic tiles.« less

  11. Unified model for the electromechanical coupling factor of orthorhombic piezoelectric rectangular bar with arbitrary aspect ratio

    NASA Astrophysics Data System (ADS)

    Rouffaud, R.; Levassort, F.; Hladky-Hennion, A.-C.

    2017-02-01

    Piezoelectric Single Crystals (PSC) are increasingly used in the manufacture of ultrasonic transducers and in particular for linear arrays or single element transducers. Among these PSCs, according to their microstructure and poled direction, some exhibit a mm2 symmetry. The analytical expression of the electromechanical coupling coefficient for a vibration mode along the poling direction for piezoelectric rectangular bar resonator is established. It is based on the mode coupling theory and fundamental energy ratio definition of electromechanical coupling coefficients. This unified formula for mm2 symmetry class material is obtained as a function of an aspect ratio (G) where the two extreme cases correspond to a thin plate (with a vibration mode characterized by the thickness coupling factor, kt) and a thin bar (characterized by k33'). To optimize the k33' value related to the thin bar design, a rotation of the crystallogaphic axis in the plane orthogonal to the poling direction is done to choose the highest value for PIN-PMN-PT single crystal. Finally, finite element calculations are performed to deduce resonance frequencies and coupling coefficients in a large range of G value to confirm developed analytical relations.

  12. Identification of the optically active vibrational modes in the photoluminescence of MEH-PPV films

    NASA Astrophysics Data System (ADS)

    da Silva, M. A. T.; Dias, I. F. L.; Duarte, J. L.; Laureto, E.; Silvestre, I.; Cury, L. A.; Guimara~Es, P. S. S.

    2008-03-01

    The temperature dependence of the photoluminescence properties of a thin film of poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene-vinylene], MEH-PPV, fabricated by spin coating, is analyzed. The evolution with temperature of the peak energy of the purely electronic transition, of the first vibronic band, of the effective conjugation length, and of the Huang-Rhys factors are discussed. The asymmetric character of the pure electronic transition peak and the contribution of the individual vibrational modes to the first vibronic band line shape are considered by a model developed by Cury et al. [J. Chem. Phys. 121, 3836 (2004)]. The temperature dependence of the Huang-Rhys factors of the main vibrational modes pertaining to the first vibronic band allows us to identify two competing vibrational modes. These results show that the electron coupling to different vibrational modes depends on temperature via reduction of thermal disorder.

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

    Ghafarian, M.; Ariaei, A., E-mail: ariaei@eng.ui.ac.ir

    The free vibration analysis of a multiple rotating nanobeams' system applying the nonlocal Eringen elasticity theory is presented. Multiple nanobeams' systems are of great importance in nano-optomechanical applications. At nanoscale, the nonlocal effects become non-negligible. According to the nonlocal Euler-Bernoulli beam theory, the governing partial differential equations are derived by incorporating the nonlocal scale effects. Assuming a structure of n parallel nanobeams, the vibration of the system is described by a coupled set of n partial differential equations. The method involves a change of variables to uncouple the equations and the differential transform method as an efficient mathematical technique tomore » solve the nonlocal governing differential equations. Then a number of parametric studies are conducted to assess the effect of the nonlocal scaling parameter, rotational speed, boundary conditions, hub radius, and the stiffness coefficients of the elastic interlayer media on the vibration behavior of the coupled rotating multiple-carbon-nanotube-beam system. It is revealed that the bending vibration of the system is significantly influenced by the rotational speed, elastic mediums, and the nonlocal scaling parameters. This model is validated by comparing the results with those available in the literature. The natural frequencies are in a reasonably good agreement with the reported results.« less

  14. Linear and nonlinear analysis of fluid slosh dampers

    NASA Astrophysics Data System (ADS)

    Sayar, B. A.; Baumgarten, J. R.

    1982-11-01

    A vibrating structure and a container partially filled with fluid are considered coupled in a free vibration mode. To simplify the mathematical analysis, a pendulum model to duplicate the fluid motion and a mass-spring dashpot representing the vibrating structure are used. The equations of motion are derived by Lagrange's energy approach and expressed in parametric form. For a wide range of parametric values the logarithmic decrements of the main system are calculated from theoretical and experimental response curves in the linear analysis. However, for the nonlinear analysis the theoretical and experimental response curves of the main system are compared. Theoretical predictions are justified by experimental observations with excellent agreement. It is concluded finally that for a proper selection of design parameters, containers partially filled with viscous fluids serve as good vibration dampers.

  15. Subsynchronous vibrations in a high pressure centrifugal compressor: A case history

    NASA Technical Reports Server (NTRS)

    Evans, B. F.; Smalley, A. J.

    1984-01-01

    Two distinct aerodynamically excited vibrations in a high pressure low flow centrifugal compressor are documented. A measured vibration near 21% of running speed was identified as a nonresonant forced vibration which results from rotating stall in the diffuser; a measured vibration near 50% of running speed was identified as a self excited vibration sustained by cross coupling forces acting at the compressor wheels. The dependence of these characteristics on speed, discharge pressure, and changes in bearing design are shown. The exciting mechanisms of diffuser stall and aerodynamic cross coupling are evidenced. It is shown how the rotor characteristics are expected to change as a result of modifications. The operation of the compressor after the modifications is described.

  16. Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)

    NASA Astrophysics Data System (ADS)

    Novko, D.; Alducin, M.; Juaristi, J. I.

    2018-04-01

    We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

  17. Rotational-vibrational coupling in the theory of electron-molecule scattering

    NASA Technical Reports Server (NTRS)

    Temkin, A.; Sullivan, E. C.

    1974-01-01

    The adiabatic-nuclei approximation of vibrational-rotational excitation of homonuclear diatomic molecules can be simply augmented to describe the vibrational-rotational coupling by including the dependence of the vibrational wave function on j. Appropriate formulas are given, and the theory, is applied to e-H2 excitation, whereby it is shown that deviations from the simple Born-Oppenheimer approximation measured by Wong and Schultz can be explained. More important, it can be seen that the inclusion of the j-dependent centrifugal term is essential for transitions involving high-rotational quantum numbers.

  18. Geometrically nonlinear transient vibrations of actively damped anti-symmetric angle ply laminated composite shallow shell using active fibre composite (AFC) actuators

    NASA Astrophysics Data System (ADS)

    Ashok, M. H.; Shivakumar, J.; Nandurkar, Santosh; Khadakbhavi, Vishwanath; Pujari, Sanjay

    2018-02-01

    In present work, the thin laminated composite shallow shell as smart structure with AFC material’s ACLD treatment is analyzed for geometrically nonlinear transient vibrations. The AFC material is used to make the constraining layer of the ACLD treatment. Golla-Hughes-McTavish (GHM) is used to model the constrained viscoelastic layer of the ACLD treatment in time domain. Along with a simple first-order shear deformation theory the Von Kármán type non-linear strain displacement relations are used for deriving this electromechanical coupled problem. A 3-dimensional finite element model of smart composite panels integrated with the ACLD treated patches has been modelled to reveal the performance of ACLD treated patches on improving the damping properties of slender anti-symmetric angle-ply laminated shallow shell, in controlling the transient vibrations which are geometrically nonlinear. The mathematical results explain that the ACLD treated patches considerably enhance the damping properties of anti-symmetric angle-ply panels undergoing geometrically nonlinear transient vibrations.

  19. Identification of vibrational signatures from short chains of interlinked molecule-nanoparticle junctions obtained by inelastic electron tunnelling spectroscopy

    NASA Astrophysics Data System (ADS)

    Jafri, S. H. M.; Löfås, H.; Fransson, J.; Blom, T.; Grigoriev, A.; Wallner, A.; Ahuja, R.; Ottosson, H.; Leifer, K.

    2013-05-01

    Short chains containing a series of metal-molecule-nanoparticle nanojunctions are a nano-material system with the potential to give electrical signatures close to those from single molecule experiments while enabling us to build portable devices on a chip. Inelastic electron tunnelling spectroscopy (IETS) measurements provide one of the most characteristic electrical signals of single and few molecules. In interlinked molecule-nanoparticle (NP) chains containing typically 5-7 molecules in a chain, the spectrum is expected to be a superposition of the vibrational signatures of individual molecules. We have established a stable and reproducible molecule-AuNP multi-junction by placing a few 1,8-octanedithiol (ODT) molecules onto a versatile and portable nanoparticle-nanoelectrode platform and measured for the first time vibrational molecular signatures at complex and coupled few-molecule-NP junctions. From quantum transport calculations, we model the IETS spectra and identify vibrational modes as well as the number of molecules contributing to the electron transport in the measured spectra.Short chains containing a series of metal-molecule-nanoparticle nanojunctions are a nano-material system with the potential to give electrical signatures close to those from single molecule experiments while enabling us to build portable devices on a chip. Inelastic electron tunnelling spectroscopy (IETS) measurements provide one of the most characteristic electrical signals of single and few molecules. In interlinked molecule-nanoparticle (NP) chains containing typically 5-7 molecules in a chain, the spectrum is expected to be a superposition of the vibrational signatures of individual molecules. We have established a stable and reproducible molecule-AuNP multi-junction by placing a few 1,8-octanedithiol (ODT) molecules onto a versatile and portable nanoparticle-nanoelectrode platform and measured for the first time vibrational molecular signatures at complex and coupled few-molecule-NP junctions. From quantum transport calculations, we model the IETS spectra and identify vibrational modes as well as the number of molecules contributing to the electron transport in the measured spectra. Electronic supplementary information (ESI) available: Methods and materials. Details of the ab initio calculation of molecular vibrations and inelastic spectra of ODT between two Au electrodes. A model of carrier transport through the molecular junctions. See DOI: 10.1039/c3nr00505d

  20. Stacked dielectric elastomer actuator (SDEA): casting process, modeling and active vibration isolation

    NASA Astrophysics Data System (ADS)

    Li, Zhuoyuan; Sheng, Meiping; Wang, Minqing; Dong, Pengfei; Li, Bo; Chen, Hualing

    2018-07-01

    In this paper, a novel fabrication process of stacked dielectric elastomer actuator (SDEA) is developed based on casting process and elastomeric electrode. The so-fabricated SDEA benefits the advantages of homogenous and reproducible properties as well as little performance degradation after one-year use. A coupling model of SDEA is established by taking into consideration of the elastomeric electrode and the calculated results agree with the experiments. Based on the model, we attain the method to optimize the SDEA’s parameters. Finally, the SDEA is used as an isolator in active vibration isolation system to verify the feasibility in dynamic application. And the experiment results show a great prospect for SDEA in such application.

  1. An immersed-boundary method for flow–structure interaction in biological systems with application to phonation

    PubMed Central

    Luo, Haoxiang; Mittal, Rajat; Zheng, Xudong; Bielamowicz, Steven A.; Walsh, Raymond J.; Hahn, James K.

    2008-01-01

    A new numerical approach for modeling a class of flow–structure interaction problems typically encountered in biological systems is presented. In this approach, a previously developed, sharp-interface, immersed-boundary method for incompressible flows is used to model the fluid flow and a new, sharp-interface Cartesian grid, immersed boundary method is devised to solve the equations of linear viscoelasticity that governs the solid. The two solvers are coupled to model flow–structure interaction. This coupled solver has the advantage of simple grid generation and efficient computation on simple, single-block structured grids. The accuracy of the solid-mechanics solver is examined by applying it to a canonical problem. The solution methodology is then applied to the problem of laryngeal aerodynamics and vocal fold vibration during human phonation. This includes a three-dimensional eigen analysis for a multi-layered vocal fold prototype as well as two-dimensional, flow-induced vocal fold vibration in a modeled larynx. Several salient features of the aerodynamics as well as vocal-fold dynamics are presented. PMID:19936017

  2. Vibration energy absorption (VEA) in human fingers-hand-arm system.

    PubMed

    Dong, R G; Schopper, A W; McDowell, T W; Welcome, D E; Wu, J Z; Smutz, W P; Warren, C; Rakheja, S

    2004-07-01

    A methodology for measuring the vibration energy absorbed into the fingers and the palm exposed to vibration is proposed to study the distribution of the vibration energy absorption (VEA) in the fingers-hand-arm system and to explore its potential association with vibration-induced white finger (VWF). The study involved 12 adult male subjects, constant-velocity sinusoidal excitations at 10 different discrete frequencies in the range of 16-1000 Hz, and four different hand-handle coupling conditions (finger pull-only, hand grip-only, palm push-only, and combined grip and push). The results of the study suggest that the VEA into the fingers is considerably less than that into the palm at low frequencies (< or = 25 Hz). They are, however, comparable under the excitations in the 250-1000 Hz frequency range. The finger VEA at high frequencies (> or = 100 Hz) is practically independent of the hand-handle coupling condition. The coupling conditions affect the VEA into the fingers and the palm very differently. The finger VEA results suggest that the ISO standardized frequency weighting (ISO 5349-1, 2001) may underestimate the effect of high frequency vibration on vibration-induced finger disorders. The proposed method may provide new opportunities to examine VEA and its association with VWF and other types of vibration-induced disorders in the hand-arm system.

  3. Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

    NASA Technical Reports Server (NTRS)

    Vlahopoulos, Nickolas

    2005-01-01

    The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

  4. Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme

    NASA Astrophysics Data System (ADS)

    Zou, Wenli; Kalescky, Robert; Kraka, Elfi; Cremer, Dieter

    2012-08-01

    Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational modes result from a coupling of local vibrational modes, which means that only the latter can provide detailed insight into bonding and other structural features. In this work, it is proven that the adiabatic internal coordinate vibrational modes of Konkoli and Cremer [Int. J. Quantum Chem. 67, 29 (1998)], 10.1002/(SICI)1097-461X(1998)67:1<29::AID-QUA3>3.0.CO;2-0 represent a unique set of local modes that is directly related to the normal vibrational modes. The missing link between these two sets of modes are the compliance constants of Decius, which turn out to be the reciprocals of the local mode force constants of Konkoli and Cremer. Using the compliance constants matrix, the local mode frequencies of any molecule can be converted into its normal mode frequencies with the help of an adiabatic connection scheme that defines the coupling of the local modes in terms of coupling frequencies and reveals how avoided crossings between the local modes lead to changes in the character of the normal modes.

  5. Energy transfer in mesoscopic vibrational systems enabled by eigenfrequency fluctuations

    NASA Astrophysics Data System (ADS)

    Atalaya, Juan

    Energy transfer between low-frequency vibrational modes can be achieved by means of nonlinear coupling if their eigenfrequencies fulfill certain nonlinear resonance conditions. Because of the discreteness of the vibrational spectrum at low frequencies, such conditions may be difficult to satisfy for most low-frequency modes in typical mesoscopic vibrational systems. Fluctuations of the vibrational eigenfrequencies can also be relatively strong in such systems. We show that energy transfer between modes can occur in the absence of nonlinear resonance if frequency fluctuations are allowed. The case of three modes with cubic nonlinear coupling and no damping is particularly interesting. It is found that the system has a non-thermal equilibrium state which depends only on the initial conditions. The rate at which the system approaches to such state is determined by the parameters such as the noise strength and correlation time, the nonlinearity strength and the detuning from exact nonlinear resonance. We also discuss the case of many weakly coupled modes. Our results shed light on the problem of energy relaxation of low-frequency vibrational modes into the continuum of high-frequency vibrational modes. The results have been obtained with Mark Dykman. Alternative email: jatalaya2012@gmail.com.

  6. The Renner-Teller effect in HCCCl(+)(X̃(2)Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations.

    PubMed

    Sun, Wei; Dai, Zuyang; Wang, Jia; Mo, Yuxiang

    2015-05-21

    The spin-vibronic energy levels of the chloroacetylene cation up to 4000 cm(-1) above the ground state have been measured using the one-photon zero-kinetic energy photoelectron spectroscopic method. The spin-vibronic energy levels have also been calculated using a diabatic model, in which the potential energy surfaces are expressed by expansions of internal coordinates, and the Hamiltonian matrix equation is solved using a variational method with harmonic basis functions. The calculated spin-vibronic energy levels are in good agreement with the experimental data. The Renner-Teller (RT) parameters describing the vibronic coupling for the H-C≡C bending mode (ε4), Cl-C≡C bending mode (ε5), the cross-mode vibronic coupling (ε45) of the two bending vibrations, and their vibrational frequencies (ω4 and ω5) have also been determined using an effective Hamiltonian matrix treatment. In comparison with the spin-orbit interaction, the RT effect in the H-C≡C bending (ε4) mode is strong, while the RT effect in the Cl-C≡C bending mode is weak. There is a strong cross-mode vibronic coupling of the two bending vibrations, which may be due to a vibronic resonance between the two bending vibrations. The spin-orbit energy splitting of the ground state has been determined for the first time and is found to be 209 ± 2 cm(-1).

  7. Mechanical energy flow models of rods and beams

    NASA Technical Reports Server (NTRS)

    Wohlever, J. C.; Bernhard, R. J.

    1992-01-01

    It has been proposed that the flow of mechanical energy through a structural/acoustic system may be modeled in a manner similar to that of flow of thermal energy/in a heat conduction problem. If this hypothesis is true, it would result in relatively efficient numerical models of structure-borne energy in large built-up structures. Fewer parameters are required to approximate the energy solution than are required to model the characteristic wave behavior of structural vibration by using traditional displacement formulations. The energy flow hypothesis is tested in this investigation for both longitudinal vibration in rods and transverse flexural vibrations of beams. The rod is shown to behave approximately according to the thermal energy flow analogy. However, the beam solutions behave significantly differently than predicted by the thermal analogy unless locally-space-averaged energy and power are considered. Several techniques for coupling dissimilar rods and beams are also discussed. Illustrations of the solution accuracy of the methods are included.

  8. The competition of particle-vibration coupling and tensor interaction in spherical nuclei

    NASA Astrophysics Data System (ADS)

    Afanasjev, Anatoli; Litvinova, Elena

    2014-09-01

    The search for missing terms in the energy density functionals (EDF) is one of the leading directions in the development of nuclear density functional theory (DFT). Tensor force is one of possible candidates. However, despite extensive studies the questions about its effective strength and unambiguous signals still remain open. One of the main experimental benchmarks for the studies of tensor interaction is provided by the data on the single-particle states in the N = 82 and Z = 50 isotopes. The energy splittings of the proton h11 / 2 and g7 / 2 states in the Z = 50 isotopes and neutron 1i13 / 2 and 1h9 / 2 states in the N = 82 isotones are used in the definition of tensor force in the Skyrme DFT. However, in experiment these states are not ``mean-field'' states because of coupling with vibrations. Employing relativistic particle-vibration coupling (PVC) model we show that many features of these splittings can be reproduced when PVC is taken into account. This suggests the competition of PVC and tensor interaction and that tensor interaction should be weaker as compared with previous estimates. The search for missing terms in the energy density functionals (EDF) is one of the leading directions in the development of nuclear density functional theory (DFT). Tensor force is one of possible candidates. However, despite extensive studies the questions about its effective strength and unambiguous signals still remain open. One of the main experimental benchmarks for the studies of tensor interaction is provided by the data on the single-particle states in the N = 82 and Z = 50 isotopes. The energy splittings of the proton h11 / 2 and g7 / 2 states in the Z = 50 isotopes and neutron 1i13 / 2 and 1h9 / 2 states in the N = 82 isotones are used in the definition of tensor force in the Skyrme DFT. However, in experiment these states are not ``mean-field'' states because of coupling with vibrations. Employing relativistic particle-vibration coupling (PVC) model we show that many features of these splittings can be reproduced when PVC is taken into account. This suggests the competition of PVC and tensor interaction and that tensor interaction should be weaker as compared with previous estimates. This work has been supported by the U.S. Department of Energy under the Grant DE-FG02-07ER41459 and National Science Foundation Award PHY-1204486.

  9. Disturbance rejection control for vibration suppression of piezoelectric laminated thin-walled structures

    NASA Astrophysics Data System (ADS)

    Zhang, S. Q.; Li, H. N.; Schmidt, R.; Müller, P. C.

    2014-02-01

    Thin-walled piezoelectric integrated smart structures are easily excited to vibrate by unknown disturbances. In order to design and simulate a control strategy, firstly, an electro-mechanically coupled dynamic finite element (FE) model of smart structures is developed based on first-order shear deformation (FOSD) hypothesis. Linear piezoelectric constitutive equations and the assumption of constant electric field through the thickness are considered. Based on the dynamic FE model, a disturbance rejection (DR) control with proportional-integral (PI) observer using step functions as the fictitious model of disturbances is developed for vibration suppression of smart structures. In order to achieve a better dynamic behavior of the fictitious model of disturbances, the PI observer is extended to generalized proportional-integral (GPI) observer, in which sine or polynomial functions can be used to represent disturbances resulting in better dynamics. Therefore the disturbances can be estimated either by PI or GPI observer, and then the estimated signals are fed back to the controller. The DR control is validated by various kinds of unknown disturbances, and compared with linear-quadratic regulator (LQR) control. The results illustrate that the vibrations are better suppressed by the proposed DR control.

  10. Magnetoelectric coupling of a magnetoelectric flux gate sensor in vibration noise circumstance

    NASA Astrophysics Data System (ADS)

    Chu, Zhaoqiang; Shi, Huaduo; Gao, Xiangyu; Wu, Jingen; Dong, Shuxiang

    2018-01-01

    A magnetoelectric (ME) flux gate sensor (MEFGS) consisting of piezoelectric PMN-PT single crystals and ferromagnetic amorphous alloy ribbon in a self-differential configuration is featured with the ability of weak magnetic anomaly detection. Here, we further investigated its ME coupling and magnetic field detection performance in vibration noise circumstance, including constant frequency, impact, and random vibration noise. Experimental results show that the ME coupling coefficient of MEFGS is as high as 5700 V/cm*Oe at resonant frequency, which is several orders magnitude higher than previously reported differential ME sensors. It was also found that under constant and impact vibration noise circumstance, the noise reduction and attenuation factor of MEFGS are over 17 and 85.7%, respectively. This work is important for practical application of MEFGS in real environment.

  11. The NASA/industry design analysis methods for vibrations (DAMVIBS) program - Accomplishments and contributions

    NASA Technical Reports Server (NTRS)

    Kvaternik, Raymond G.

    1991-01-01

    A NASA Langley-sponsored rotorcraft structural dynamics program, known as Design Analysis Methods for VIBrationS (DAMVIBS), has been under development since 1984. The objective of this program was to establish the technology base needed by the industry to develop an advanced finite-element-based dynamics design analysis capability for vibrations. Under the program, teams from the four major helicopter manufacturers have formed finite-element models, conducted ground vibration tests, made test/analysis comparisons of both metal and composite airframes, performed 'difficult components' studies on airframes to identify components which need more complete finite-element representation for improved correlation, and evaluated industry codes for computing coupled rotor-airframe vibrations. Studies aimed at establishing the role that structural optimization can play in airframe vibrations design work have also been initiated. Five government/industry meetings were held in connection with these activities during the course of the program. Because the DAMVIBS Program is coming to an end, the fifth meeting included a brief assessment of the program and its benefits to the industry.

  12. The NASA/industry design analysis methods for vibrations (DAMVIBS) program: Accomplishments and contributions

    NASA Technical Reports Server (NTRS)

    Kvaternik, Raymond G.

    1991-01-01

    A NASA Langley-sponsored rotorcraft structural dynamics program, known as Design Analysis Methods for VIBrationS (DAMVIBS), has been under development since 1984. The objective of this program was to establish the technology base needed by the industry to develop an advanced finite-element-based dynamics design analysis capability for vibrations. Under the program, teams from the four major helicopter manufacturers have formed finite-element models, conducted ground vibration tests, made test/analysis comparisons of both metal and composite airframes, performed 'difficult components' studies on airframes to identify components which need more complete finite-element representation for improved correlation, and evaluated industry codes for computing coupled rotor-airframe vibrations. Studies aimed at establishing the role that structural optimization can play in airframe vibrations design work have also been initiated. Five government/industry meetings were held in connection with these activities during the course of the program. Because the DAMVIBS Program is coming to an end, the fifth meeting included a brief assessment of the program and its benefits to the industry.

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

    NASA Technical Reports Server (NTRS)

    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.

  14. Coupled channels description of the α-decay fine structure

    NASA Astrophysics Data System (ADS)

    Delion, D. S.; Ren, Zhongzhou; Dumitrescu, A.; Ni, Dongdong

    2018-05-01

    We review the coupled channels approach of α transitions to excited states. The α-decaying states are identified as narrow outgoing Gamow resonances in an α-daughter potential. The real part of the eigenvalue corresponds to the Q-value, while the imaginary part determines the half of the total α-decay width. We first review the calculations describing transitions to rotational states treated by the rigid rotator model, in even–even, odd-mass and odd–odd nuclei. It is found that the semiclassical method overestimates the branching ratios to excited 4+ for some even–even α-emitters and fails in explaining the unexpected inversion of branching ratios of some odd-mass nuclei, while the coupled-channels results show good agreement with the experimental data. Then, we review the coupled channels method for α-transitions to 2+ vibrational and transitional states. We present the results of the Coherent State Model that describes in a unified way the spectra of vibrational, transitional and rotational nuclei. We evidence general features of the α-decay fine structure, namely the linear dependence between α-intensities and excitation energy, the linear correlation between the strength of the α-core interaction and spectroscopic factor, and the inverse correlation between the nuclear collectivity, given by electromagnetic transitions, and α-clustering.

  15. The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae

    NASA Astrophysics Data System (ADS)

    Kolli, Avinash; O'Reilly, Edward J.; Scholes, Gregory D.; Olaya-Castro, Alexandra

    2012-11-01

    The influence of fast vibrations on energy transfer and conversion in natural molecular aggregates is an issue of central interest. This article shows the important role of high-energy quantized vibrations and their non-equilibrium dynamics for energy transfer in photosynthetic systems with highly localized excitonic states. We consider the cryptophyte antennae protein phycoerythrin 545 and show that coupling to quantized vibrations, which are quasi-resonant with excitonic transitions is fundamental for biological function as it generates non-cascaded transport with rapid and wider spatial distribution of excitation energy. Our work also indicates that the non-equilibrium dynamics of such vibrations can manifest itself in ultrafast beating of both excitonic populations and coherences at room temperature, with time scales in agreement with those reported in experiments. Moreover, we show that mechanisms supporting coherent excitonic dynamics assist coupling to selected modes that channel energy to preferential sites in the complex. We therefore argue that, in the presence of strong coupling between electronic excitations and quantized vibrations, a concrete and important advantage of quantum coherent dynamics is precisely to tune resonances that promote fast and effective energy distribution.

  16. Anomalous vibrational modes in acetanilide: A F. D. S. incoherent inelastic neutron scattering study

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

    Barthes, M.; Moret, J.; Eckert, J.

    1991-01-01

    The origin of the anomalous infra-red and Raman modes in acetanilide (C{sub 6}H{sub 5}NHCOCH{sub 3}, or ACN), remains a subject of considerable controversy. One family of theoretical models involves Davydov-like solitons nonlinear vibrational coupling, or polaronic'' localized modes. An alternative interpretation of the extra-bands in terms of a Fermi resonance was proposed and recently the existence of slightly non-degenerate hydrogen atom configurations in the H-bond was suggested as an explanation for the anomalies. In this paper we report some new results on the anomalous vibrational modes in ACN that were obtained by inelastic incoherent neutron scattering (INS).

  17. Aeroelastic Wing Shaping Control Subject to Actuation Constraints.

    NASA Technical Reports Server (NTRS)

    Swei, Sean Shan-Min; Nguyen, Nhan

    2014-01-01

    This paper considers the control of coupled aeroelastic aircraft model which is configured with Variable Camber Continuous Trailing Edge Flap (VCCTEF) system. The relative deflection between two adjacent flaps is constrained and this actuation constraint is accounted for when designing an effective control law for suppressing the wing vibration. A simple tuned-mass damper mechanism with two attached masses is used as an example to demonstrate the effectiveness of vibration suppression with confined motion of tuned masses. In this paper, a dynamic inversion based pseudo-control hedging (PCH) and bounded control approach is investigated, and for illustration, it is applied to the NASA Generic Transport Model (GTM) configured with VCCTEF system.

  18. Helicopter rotor dynamics and aeroelasticity - Some key ideas and insights

    NASA Technical Reports Server (NTRS)

    Friedmann, Peretz P.

    1990-01-01

    Four important current topics in helicopter rotor dynamics and aeroelasticity are discussed: (1) the role of geometric nonlinearities in rotary-wing aeroelasticity; (2) structural modeling, free vibration, and aeroelastic analysis of composite rotor blades; (3) modeling of coupled rotor/fuselage areomechanical problems and their active control; and (4) use of higher-harmonic control for vibration reduction in helicopter rotors in forward flight. The discussion attempts to provide an improved fundamental understanding of the current state of the art. In this way, future research can be focused on problems which remain to be solved instead of producing marginal improvements on problems which are already understood.

  19. The Shock and Vibration Bulletin. Part 1. Welcome, Keynote Address, Invited Papers, Pyrotechnic Shock, and Shock Testing and Analysis

    DTIC Science & Technology

    1983-05-01

    DESIGN PROCEDURE M. S. IIAndal, University of Vermont, Burlington, VT Machinery Dynamics ANALYTICAL AND EXPERIMENTAL INVESTIGATION OF ROTATING BLADE... methodology to accurately predict rotor vibratory loads and has recently been initiated for detail design and bench test- coupled rotor/airframe vibrations... design methodology , a trating on the basic disciplines of aerodynamics and struc. coupled rotor/airframe vibration analysis has been developed. tural

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

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

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

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

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

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

  2. Dynamic modeling and characteristics analysis of a modal-independent linear ultrasonic motor.

    PubMed

    Li, Xiang; Yao, Zhiyuan; Zhou, Shengli; Lv, Qibao; Liu, Zhen

    2016-12-01

    In this paper, an integrated model is developed to analyze the fundamental characteristics of a modal-independent linear ultrasonic motor with double piezoelectric vibrators. The energy method is used to model the dynamics of the two piezoelectric vibrators. The interface forces are coupled into the dynamic equations of the two vibrators and the moving platform, forming a whole machine model of the motor. The behavior of the force transmission of the motor is analyzed via the resulting model to understand the drive mechanism. In particular, the relative contact length is proposed to describe the intermittent contact characteristic between the stator and the mover, and its role in evaluating motor performance is discussed. The relations between the output speed and various inputs to the motor and the start-stop transients of the motor are analyzed by numerical simulations, which are validated by experiments. Furthermore, the dead-zone behavior is predicted and clarified analytically using the proposed model, which is also observed in experiments. These results are useful for designing servo control scheme for the motor. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Rotational and vibrational transitions for Li + H2 collisions

    NASA Technical Reports Server (NTRS)

    Choi, B. H.; Poe, R. T.; Tang, K. T.

    1977-01-01

    Close coupling calculations for integral and differential cross sections have been carried out for Li + H2 collisions with an ab initio Hartree-Fock potential energy surface. Rotational, vibrational, and vib-rotational excitation cross sections are reported at 0.4336 eV, 0.7 eV, and 0.8673 eV in the center of mass system. For pure rotational excitations, which dominate the inelastic scattering, coupling with vibrational states is not very important. For vibrational transitions, the influence of large multiquantum rotational transitions is far less than that found for Li(+) + H2 collisions.

  4. Performance of a reduced-order FSI model for flow-induced vocal fold vibration

    NASA Astrophysics Data System (ADS)

    Chang, Siyuan; Luo, Haoxiang; Luo's lab Team

    2016-11-01

    Vocal fold vibration during speech production involves a three-dimensional unsteady glottal jet flow and three-dimensional nonlinear tissue mechanics. A full 3D fluid-structure interaction (FSI) model is computationally expensive even though it provides most accurate information about the system. On the other hand, an efficient reduced-order FSI model is useful for fast simulation and analysis of the vocal fold dynamics, which is often needed in procedures such as optimization and parameter estimation. In this work, we study the performance of a reduced-order model as compared with the corresponding full 3D model in terms of its accuracy in predicting the vibration frequency and deformation mode. In the reduced-order model, we use a 1D flow model coupled with a 3D tissue model. Two different hyperelastic tissue behaviors are assumed. In addition, the vocal fold thickness and subglottal pressure are varied for systematic comparison. The result shows that the reduced-order model provides consistent predictions as the full 3D model across different tissue material assumptions and subglottal pressures. However, the vocal fold thickness has most effect on the model accuracy, especially when the vocal fold is thin. Supported by the NSF.

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

    NASA Astrophysics Data System (ADS)

    Wang, Chen; Zhang, Qichang; Wang, Wei

    2017-07-01

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

  6. Helicopter aeroelastic stability and response - Current topics and future trends

    NASA Technical Reports Server (NTRS)

    Friedmann, Peretz P.

    1990-01-01

    This paper presents several current topics in rotary wing aeroelasticity and concludes by attempting to anticipate future trends and developments. These topics are: (1) the role of geometric nonlinearities; (2) structural modeling, and aeroelastic analysis of composite rotor blades; (3) aeroelastic stability and response in forward flight; (4) modeling of coupled rotor/fuselage aeromechanical problems and their active control; and (5) the coupled rotor-fuselage vibration problem and its alleviation by higher harmonic control. Selected results illustrating the fundamental aspects of these topics are presented. Future developments are briefly discussed.

  7. Thermodynamic properties and equations of state for Ag, Al, Au, Cu and MgO using a lattice vibrational method

    NASA Astrophysics Data System (ADS)

    Jacobs, M.; Schmid-Fetzer, R.

    2012-04-01

    A prerequisite for the determination of pressure in static high pressure measurements, such as in diamond anvil cells is the availability of accurate equations of state for reference materials. These materials serve as luminescence gauges or as X-ray gauges and equations of state for these materials serve as secondary pressure scales. Recently, successful progress has been made in the development of consistency between static, dynamic shock-wave and ultrasonic measurements of equations of state (e.g. Dewaele et al. Phys. Rev. B70, 094112, 2004, Dorogokupets and Oganov, Doklady Earth Sciences, 410, 1091-1095, 2006, Holzapfel, High Pressure Research 30, 372-394, 2010) allowing testing models to arrive at consistent thermodynamic descriptions for X-ray gauges. Apart from applications of metallic elements in high-pressure work, thermodynamic properties of metallic elements are also of mandatory interest in the field of metallurgy for studying phase equilibria of alloys, kinetics of phase transformation and diffusion related problems, requiring accurate thermodynamic properties in the low pressure regime. Our aim is to develop a thermodynamic data base for metallic alloy systems containing Ag, Al, Au, Cu, Fe, Ni, Pt, from which volume properties in P-T space can be predicted when it is coupled to vibrational models. This mandates the description of metallic elements as a first step aiming not only at consistency in the pressure scales for the elements, but also at accurate representations of thermodynamic properties in the low pressure regime commonly addressed in metallurgical applications. In previous works (e.g. Jacobs and de Jong, Geochim. Cosmochim. Acta, 71, 3630-3655, 2007, Jacobs and van den Berg, Phys. Earth Planet. Inter., 186, 36-48, 2011) it was demonstrated that a lattice vibrational framework based on Kieffer's model for the vibrational density of states, is suitable to construct a thermodynamic database for Earth mantle materials. Such a database aims at, when coupled to a thermodynamic computation program, the calculation and prediction of phase equilibria and thermo-physical properties of phase equilibrium assemblages in pressure-temperature-composition space. In Jacobs and van den Berg (2011) the vibrational method, together with a thermodynamic data base, was successfully applied to mantle convection of materials in the Earth. These works demonstrate that the vibrational method has the advantages of (1) computational speed, (2) coupling or making comparisons with ab initio methods and (3) making reliable extrapolations to extreme conditions. We present results of thermodynamic analyses, using lattice vibrational methods, of Ag, Al, Au, Cu and MgO covering the pressure and temperature regime of the Earth's interior. We show results on consistency of the pressure scales for these materials using different equations of state, under the constraint that thermodynamic properties in the low-pressure regime are accurately represented.

  8. Vibrational and Nonadiabatic Coherence in 2D Electronic Spectroscopy, the Jahn-Teller Effect, and Energy Transfer

    NASA Astrophysics Data System (ADS)

    Jonas, David M.

    2018-04-01

    Femtosecond two-dimensional (2D) Fourier transform spectroscopy generates and probes several types of coherence that characterize the couplings between vibrational and electronic motions. These couplings have been studied in molecules with Jahn-Teller conical intersections, pseudo-Jahn-Teller funnels, dimers, molecular aggregates, photosynthetic light harvesting complexes, and photosynthetic reaction centers. All have closely related Hamiltonians and at least two types of vibrations, including one that is decoupled from the electronic dynamics and one that is nonadiabatically coupled. Polarized pulse sequences can often be used to distinguish these types of vibrations. Electronic coherences are rapidly obscured by inhomogeneous dephasing. The longest-lived coherences in these systems arise from delocalized vibrations on the ground electronic state that are enhanced by a nonadiabatic Raman excitation process. These characterize the initial excited-state dynamics. 2D oscillation maps are beginning to isolate the medium lifetime vibronic coherences that report on subsequent stages of the excited-state dynamics.

  9. State-to-state modeling of non-equilibrium air nozzle flows

    NASA Astrophysics Data System (ADS)

    Nagnibeda, E.; Papina, K.; Kunova, O.

    2018-05-01

    One-dimensional non-equilibrium air flows in nozzles are studied on the basis of the state-to-state description of vibrational-chemical kinetics. Five-component mixture N2/O2/NO/N/O is considered taking into account Zeldovich exchange reactions of NO formation, dissociation, recombination and vibrational energy transitions. The equations for vibrational and chem-ical kinetics in a flow are coupled to the conservation equations of momentum and total energy and solved numerically for different conditions in a nozzle throat. The vibrational distributions of nitrogen and oxygen molecules, number densities of species as well as the gas temperature and flow velocity along a nozzle axis are analysed using the detailed state-to-state flow description and in the frame of the simplified one-temperature thermal equilibrium kinetic model. The comparison of the results showed the influence of non-equilibrium kinetics on macroscopic nozzle flow parameters. In the state-to-state approach, non-Boltzmann vibrational dis-tributions of N2 and O2 molecules with a plateau part at intermediate levels are found. The results are found with the use of the complete and simplified schemes of reactions and the impact of exchange reactions, dissociation and recombination on variation of vibrational level populations, mixture composition, gas velocity and temperature along a nozzle axis is shown.

  10. Analysis on pseudo excitation of random vibration for structure of time flight counter

    NASA Astrophysics Data System (ADS)

    Wu, Qiong; Li, Dapeng

    2015-03-01

    Traditional computing method is inefficient for getting key dynamical parameters of complicated structure. Pseudo Excitation Method(PEM) is an effective method for calculation of random vibration. Due to complicated and coupling random vibration in rocket or shuttle launching, the new staging white noise mathematical model is deduced according to the practical launch environment. This deduced model is applied for PEM to calculate the specific structure of Time of Flight Counter(ToFC). The responses of power spectral density and the relevant dynamic characteristic parameters of ToFC are obtained in terms of the flight acceptance test level. Considering stiffness of fixture structure, the random vibration experiments are conducted in three directions to compare with the revised PEM. The experimental results show the structure can bear the random vibration caused by launch without any damage and key dynamical parameters of ToFC are obtained. The revised PEM is similar with random vibration experiment in dynamical parameters and responses are proved by comparative results. The maximum error is within 9%. The reasons of errors are analyzed to improve reliability of calculation. This research provides an effective method for solutions of computing dynamical characteristic parameters of complicated structure in the process of rocket or shuttle launching.

  11. Vibrational resonance, allostery, and activation in rhodopsin-like G protein-coupled receptors

    PubMed Central

    Woods, Kristina N.; Pfeffer, Jürgen; Dutta, Arpana; Klein-Seetharaman, Judith

    2016-01-01

    G protein-coupled receptors are a large family of membrane proteins activated by a variety of structurally diverse ligands making them highly adaptable signaling molecules. Despite recent advances in the structural biology of this protein family, the mechanism by which ligands induce allosteric changes in protein structure and dynamics for its signaling function remains a mystery. Here, we propose the use of terahertz spectroscopy combined with molecular dynamics simulation and protein evolutionary network modeling to address the mechanism of activation by directly probing the concerted fluctuations of retinal ligand and transmembrane helices in rhodopsin. This approach allows us to examine the role of conformational heterogeneity in the selection and stabilization of specific signaling pathways in the photo-activation of the receptor. We demonstrate that ligand-induced shifts in the conformational equilibrium prompt vibrational resonances in the protein structure that link the dynamics of conserved interactions with fluctuations of the active-state ligand. The connection of vibrational modes creates an allosteric association of coupled fluctuations that forms a coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region. Our evolutionary analysis of rhodopsin-like GPCRs suggest that specific allosteric sites play a pivotal role in activating structural fluctuations that allosterically modulate functional signals. PMID:27849063

  12. Strain-assisted optomechanical coupling of polariton condensate spin to a micromechanical resonator

    NASA Astrophysics Data System (ADS)

    Be'er, O.; Ohadi, H.; del Valle-Inclan Redondo, Y.; Ramsay, A. J.; Tsintzos, S. I.; Hatzopoulos, Z.; Savvidis, P. G.; Baumberg, J. J.

    2017-12-01

    We report spin and intensity coupling of an exciton-polariton condensate to the mechanical vibrations of a circular membrane microcavity. We optically drive the microcavity resonator at the lowest mechanical resonance frequency while creating an optically trapped spin-polarized polariton condensate in different locations on the microcavity and observe spin and intensity oscillations of the condensate at the vibration frequency of the resonator. Spin oscillations are induced by vibrational strain driving, whilst the modulation of the optical trap due to the displacement of the membrane causes intensity oscillations in the condensate emission. Our results demonstrate spin-phonon coupling in a macroscopically coherent condensate.

  13. Active vibration and noise control of vibro-acoustic system by using PID controller

    NASA Astrophysics Data System (ADS)

    Li, Yunlong; Wang, Xiaojun; Huang, Ren; Qiu, Zhiping

    2015-07-01

    Active control simulation of the acoustic and vibration response of a vibro-acoustic cavity of an airplane based on a PID controller is presented. A full numerical vibro-acoustic model is developed by using an Eulerian model, which is a coupled model based on the finite element formulation. The reduced order model, which is used to design the closed-loop control system, is obtained by the combination of modal expansion and variable substitution. Some physical experiments are made to validate and update the full-order and the reduced-order numerical models. Optimization of the actuator placement is employed in order to get an effective closed-loop control system. For the controller design, an iterative method is used to determine the optimal parameters of the PID controller. The process is illustrated by the design of an active noise and vibration control system for a cavity structure. The numerical and experimental results show that a PID-based active control system can effectively suppress the noise inside the cavity using a sound pressure signal as the controller input. It is also possible to control the noise by suppressing the vibration of the structure using the structural displacement signal as the controller input. For an airplane cavity structure, considering the issue of space-saving, the latter is more suitable.

  14. Influence of vibration on the coupling efficiency in spatial receiver and its compensation method

    NASA Astrophysics Data System (ADS)

    Hu, Qinggui; Mu, Yining

    2018-04-01

    In order to analyze the loss of the free-space optical receiver caused by the vibration, we set up the coordinate systems on both the receiving lens surface and the receiving fiber surface, respectively. Then, with Gauss optics theory, the coupling efficiency equation is obtained. And the solution is calculated with MATLAB® software. To lower the impact of the vibration, the directional tapered communication fiber receiver is proposed. In the next step, the sample was produced and two experiments were done. The first experiment shows that the coupling efficiency of the receiver is higher than that of the traditional one. The second experiment shows the bit error rate of the new receiver is lower. Both of the experiments show the new receiver could improve the receiving system's tolerance with the vibration.

  15. Coupling vibration research on Vehicle-bridge system

    NASA Astrophysics Data System (ADS)

    Zhou, Jiguo; Wang, Guihua

    2018-01-01

    The vehicle-bridge coupling system forms when vehicle running on a bridge. It will generate a relatively large influence on the driving comfort and driving safe when the vibration of the vehicle is bigger. A three-dimensional vehicle-bridge system with biaxial seven degrees of freedom has been establish in this paper based on finite numerical simulation. Adopting the finite element transient numerical simulation to realize the numerical simulation of vehicle-bridge system coupling vibration. Then, analyze the dynamic response of vehicle and bridge while different numbers of vehicles running on the bridge. Got the variation rule of vertical vibration of car body and bridge, and that of the contact force between the wheel and bridge deck. The research results have a reference value for the analysis about the vehicle running on a large-span cabled bridge.

  16. Vibration mitigation for in-wheel switched reluctance motor driven electric vehicle with dynamic vibration absorbing structures

    NASA Astrophysics Data System (ADS)

    Qin, Yechen; He, Chenchen; Shao, Xinxin; Du, Haiping; Xiang, Changle; Dong, Mingming

    2018-04-01

    This paper presents a new approach for vibration mitigation based on a dynamic vibration absorbing structure (DVAS) for electric vehicles (EVs) that use in-wheel switched reluctance motors (SRMs). The proposed approach aims to alleviate the negative effects of vibration caused by the unbalanced electromagnetic force (UMEF) that arises from road excitations. The analytical model of SRMs is first formulated using Fourier series, and then a model of the coupled longitudinal-vertical dynamics is developed taking into consideration the external excitations consisting of the aerodynamic drag force and road unevenness. In addition, numerical simulations for a conventional SRM-suspension system and two novel DVASs are carried out for varying road levels specified by ISO standards and vehicle velocities. The results of the comparison reveal that a 35% improvement in ride comfort, 30% improvement of road handling, and 68% improvement in air gap between rotor and stator can be achieved by adopting the novel DVAS compared to the conventional SRM-suspension system. Finally, multi-body simulation (MBS) is performed using LMS Motion to validate the feasibility of the proposed DVAS. Analysis of the results shows that the proposed method can augment the effective application of SRMs in EVs.

  17. Dynamics and control of high precision magnetically levitated vibration isolation systems

    NASA Technical Reports Server (NTRS)

    Youcef-Toumi, K.; Yeh, T-J.

    1992-01-01

    Vibration control of flexible structures has received a great deal of interest in recent years. Several authors have investigated this topic in the areas of robot manipulators, space structures, and flexible rotors. Key issues associated with the dynamics and control of vibration isolation systems are addressed. Among other important issues to consider in the control of such systems, the location and number of actuators and sensors are essential to effectively control and suppress vibration. We first address the selection of proper actuator and sensor locations leading to a controllable and observable system. The Rayleigh-Ritz modal analysis method is used to develop a lumped-parameter model of a flexible vibration isolation table top. This model is then used to investigate the system's controllability and observability including the coupling effects introduced by the magnetic bearing. This analysis results in necessary and sufficient conditions for proper selection of actuator and sensor locations. These locations are also important for both controller system's complexity and stability of point of views. A favorable pole-zero plot of the open loop transfer functions is presented. Necessary and sufficient conditions for reducing the controller complexity are derived. The results are illustrated by examples using approximate mode shape functions.

  18. Picosecond dynamics from lanthanide chloride melts

    NASA Astrophysics Data System (ADS)

    Kalampounias, Angelos G.

    2012-12-01

    The picosecond dynamics of molten lanthanide chlorides is studied by means of vibrational spectroscopy. Polarized Raman spectra of molten LaCl3, NdCl3, GdCl3, DyCl3, HoCl3 and YCl3 are fitted to a model enabling to obtain the times of vibrational dephasing, tν and vibrational frequency modulation tω. Our aim is to find possible sensitive indicators of short-time dynamics. It has been found that all lanthanide chlorides exhibit qualitative similarities in the vibrational relaxation and frequency modulation times in the molten state. It appears that the vibrational correlation functions of all melts comply with the Rothschild approach assuming that the environmental modulation is described by a stretched exponential decay. The evolution of the dispersion parameter α indicates the deviation of the melts from the model simple liquid and the similar local environment in which the oscillator is placed and with which it is coupled. The "packing" of the anions around central La3+ cation seems to be the key factor for the structure and the dynamics of the melts. The results are discussed in the framework of the current phenomenological status of the field.

  19. Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine

    NASA Technical Reports Server (NTRS)

    Holliday, Ezekiel S. (Inventor)

    2014-01-01

    Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

  20. Design of UV laser pulses for the preparation of matrix isolated homonuclear diatomic molecules in selective vibrational superposition states.

    PubMed

    Korolkov, M V; Manz, J

    2007-05-07

    The preparation of matrix isolated homonuclear diatomic molecules in a vibrational superposition state c0Phie=1,v=0+cjPhie=1,v=j, with large (|c0|2 approximately 1) plus small contributions (|cj|2<1) of the ground v=0 and specific v=j low excited vibrational eigenstates, respectively, in the electronic ground (e=1) state, and without any net population transfer to electronic excited (e>1) states, is an important challenge; it serves as a prerequisite for coherent spin control. For this purpose, the authors investigate two scenarios of laser pulse control, involving sequential or intrapulse pump- and dump-type transitions via excited vibronic states Phiex,k with a dominant singlet or triplet character. The mechanisms are demonstrated by means of quantum simulations for representative nuclear wave packets on coupled potential energy surfaces, using as an example a one-dimensional model for Cl2 in an Ar matrix. A simple three-state model (including Phi1,0, Phi1,j and Phiex,k) allows illuminating analyses and efficient determinations of the parameters of the laser pulses based on the values of the transition energies and dipole couplings of the transient state which are derived from the absorption spectra.

  1. The relationships between hand coupling force and vibration biodynamic responses of the hand-arm system.

    PubMed

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

    2018-06-01

    This study conducted two series of experiments to investigate the relationships between hand coupling force and biodynamic responses of the hand-arm system. In the first experiment, the vibration transmissibility on the system was measured as a continuous function of grip force while the hand was subjected to discrete sinusoidal excitations. In the second experiment, the biodynamic responses of the system subjected to a broadband random vibration were measured under five levels of grip forces and a combination of grip and push forces. This study found that the transmissibility at each given frequency increased with the increase in the grip force before reaching a maximum level. The transmissibility then tended to plateau or decrease when the grip force was further increased. This threshold force increased with an increase in the vibration frequency. These relationships remained the same for both types of vibrations. The implications of the experimental results are discussed. Practitioner Summary: Shocks and vibrations transmitted to the hand-arm system may cause injuries and disorders of the system. How to take hand coupling force into account in the risk assessment of vibration exposure remains an important issue for further studies. This study is designed and conducted to help resolve this issue.

  2. Vibration attenuation of the NASA Langley evolutionary structure experiment using H(sub infinity) and structured singular value (micron) robust multivariable control techniques

    NASA Technical Reports Server (NTRS)

    Balas, Gary J.

    1992-01-01

    The use is studied of active control to attenuate structural vibrations of the NASA Langley Phase Zero Evolutionary Structure due to external disturbance excitations. H sub infinity and structured singular value (mu) based control techniques are used to analyze and synthesize control laws for the NASA Langley Controls Structures Interaction (CSI) Evolutionary Model (CEM). The CEM structure experiment provides an excellent test bed to address control design issues for large space structures. Specifically, control design for structures with numerous lightly damped, coupled flexible modes, collocated and noncollocated sensors and actuators and stringent performance specifications. The performance objectives are to attenuate the vibration of the structure due to external disturbances, and minimize the actuator control force. The control design problem formulation for the CEM Structure uses a mathematical model developed with finite element techniques. A reduced order state space model for the control design is formulated from the finite element model. It is noted that there are significant variations between the design model and the experimentally derived transfer function data.

  3. A NASA/Industry/University Partnership for Development of Dual-Use Vibration Isolation Technology

    NASA Technical Reports Server (NTRS)

    Tinker, Michael L.

    1994-01-01

    A partnership is described that was formed as a result of a NASA university grant for the study of wire rope vibration isolation systems. Vibration isolators of this type are currently used in the Space Shuttle Orbiter and engine test facility, and have potential application in the international space station and other space vehicles. Wire rope isolators were considered for use on the Hubble Space Telescope and the military has used wire rope technology extensively. The desire of the wire rope industry to expand sales in commercial markets coupled with results of the prior NASA funded study, led to the formation of a partnership including NASA, the university involved in the research grant, and a small company that designs wire rope systems. Goals include the development of improved mathematical models and a designers handbook to facilitate the use of the new modeling tools.

  4. Theoretical modeling of infrared spectra of aspirin and its deuterated derivative

    NASA Astrophysics Data System (ADS)

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

    2003-01-01

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

  5. The effect of gas and fluid flows on nonlinear lateral vibrations of rotating drill strings

    NASA Astrophysics Data System (ADS)

    Khajiyeva, Lelya; Kudaibergenov, Askar; Kudaibergenov, Askat

    2018-06-01

    In this work we develop nonlinear mathematical models describing coupled lateral vibrations of a rotating drill string under the effect of external supersonic gas and internal fluid flows. An axial compressive load and a torque also affect the drill string. The mathematical models are derived by the use of Novozhilov's nonlinear theory of elasticity with implementation of Hamilton's variation principle. Expressions for the gas flow pressure are determined according to the piston theory. The fluid flow is considered as added mass inside the curved tube of the drill string. Using an algorithm developed in the Mathematica computation program on the basis of the Galerkin approach and the stiffness switching method the numerical solution of the obtained approximate differential equations is found. Influences of the external loads, drill string angular speed of rotation, parameters of the gas and fluid flows on the drill string vibrations are shown.

  6. Nonlinear network model analysis of vibrational energy transfer and localisation in the Fenna-Matthews-Olson complex

    NASA Astrophysics Data System (ADS)

    Morgan, Sarah E.; Cole, Daniel J.; Chin, Alex W.

    2016-11-01

    Collective protein modes are expected to be important for facilitating energy transfer in the Fenna-Matthews-Olson (FMO) complex of photosynthetic green sulphur bacteria, however to date little work has focussed on the microscopic details of these vibrations. The nonlinear network model (NNM) provides a computationally inexpensive approach to studying vibrational modes at the microscopic level in large protein structures, whilst incorporating anharmonicity in the inter-residue interactions which can influence protein dynamics. We apply the NNM to the entire trimeric FMO complex and find evidence for the existence of nonlinear discrete breather modes. These modes tend to transfer energy to the highly connected core pigments, potentially opening up alternative excitation energy transfer routes through their influence on pigment properties. Incorporating localised modes based on these discrete breathers in the optical spectra calculations for FMO using ab initio site energies and excitonic couplings can substantially improve their agreement with experimental results.

  7. Joint excitation synchronization characteristics of fatigue test for offshore wind turbine blade

    NASA Astrophysics Data System (ADS)

    Zhang, Lei-an; Yu, Xiang-yong; Wei, Xiu-ting; Liu, Wei-sheng

    2018-02-01

    In the case of the stiffness of offshore wind turbine blade is relatively large, the joint excitation device solves the problem of low accuracy of bending moment distribution, insufficient driving ability and long fatigue test period in single-point loading. In order to study the synchronous characteristics of joint excitation system, avoid blade vibration disturbance. First, on the base of a Lagrange equation, a mathematical model of combined excitation is formulated, and a numerical analysis of vibration synchronization is performed. Then, the model is constructed via MATLAB/Simulink, and the effect of the phase difference on the vibration synchronization characteristics is obtained visually. Finally, a set of joint excitation platform for the fatigue test of offshore wind turbine blades are built. The parameter measurement scheme is given and the correctness of the joint excitation synchronization in the simulation model is verified. The results show that when the rotational speed difference is 2 r/min, 30 r/min, the phase difference is 0, π/20, π/8 and π/4, as the rotational speed difference and the phase difference increase, the time required for the blade to reach a steady state is longer. When the phase difference is too large, the electromechanical coupling can no longer make the joint excitation device appear self-synchronizing phenomenon, so that the value of the phase difference develops toward a fixed value (not equal to 0), and the blade vibration disorder is serious, at this time, the effect of electromechanical coupling must be eliminated. The research results provide theoretical basis for the subsequent decoupling control algorithm and synchronization control strategy, and have good application value.

  8. A contact-area model for rail-pads connections in 2-D simulations: sensitivity analysis of train-induced vibrations

    NASA Astrophysics Data System (ADS)

    Ferrara, R.; Leonardi, G.; Jourdan, F.

    2013-09-01

    A numerical model to predict train-induced vibrations is presented. The dynamic computation considers mutual interactions in vehicle/track coupled systems by means of a finite and discrete elements method. The rail defects and the case of out-of-round wheels are considered. The dynamic interaction between the wheel-sets and the rail is accomplished by using the non-linear Hertzian model with hysteresis damping. A sensitivity analysis is done to evaluate the variables affecting more the maintenance costs. The rail-sleeper contact is assumed extended to an area-defined contact zone, rather than a single-point assumption which fits better real case studies. Experimental validations show how prediction fits well experimental data.

  9. Attitude tracking control of flexible spacecraft with large amplitude slosh

    NASA Astrophysics Data System (ADS)

    Deng, Mingle; Yue, Baozeng

    2017-12-01

    This paper is focused on attitude tracking control of a spacecraft that is equipped with flexible appendage and partially filled liquid propellant tank. The large amplitude liquid slosh is included by using a moving pulsating ball model that is further improved to estimate the settling location of liquid in microgravity or a zero-g environment. The flexible appendage is modelled as a three-dimensional Bernoulli-Euler beam, and the assumed modal method is employed. A hybrid controller that combines sliding mode control with an adaptive algorithm is designed for spacecraft to perform attitude tracking. The proposed controller has proved to be asymptotically stable. A nonlinear model for the overall coupled system including spacecraft attitude dynamics, liquid slosh, structural vibration and control action is established. Numerical simulation results are presented to show the dynamic behaviors of the coupled system and to verify the effectiveness of the control approach when the spacecraft undergoes the disturbance produced by large amplitude slosh and appendage vibration. Lastly, the designed adaptive algorithm is found to be effective to improve the precision of attitude tracking.

  10. A statistical physics viewpoint on the dynamics of the bouncing ball

    NASA Astrophysics Data System (ADS)

    Chastaing, Jean-Yonnel; Géminard, Jean-Christophe; Bertin, Eric

    2016-06-01

    We compute, in a statistical physics perspective, the dynamics of a bouncing ball maintained in a chaotic regime thanks to collisions with a plate experiencing an aperiodic vibration. We analyze in details the energy exchanges between the bead and the vibrating plate, and show that the coupling between the bead and the plate can be modeled in terms of both a dissipative process and an injection mechanism by an energy reservoir. An analysis of the injection statistics in terms of fluctuation relation is also provided.

  11. Anomalous vibrational modes in acetanilide: a F.D.S. incoherent inelastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Barthes, Mariette; Eckert, Juergen; Johnson, Susanna W.; Moret, Jacques; Swanson, Basil I.; Unkefer, Clifford J.

    The origin of the anomalous infra-red and Raman modes in acetanilide (C6H5NHCOCH3, or ACN)(1) , remains a subject of considerable controversy. One family of theoretical models involves Davydov-like solitons (2) nonlinear vibrational coupling (3), or "polaronic" localized modes (4)(5). An alternative interpretation of the extra-bands in terms of a Fermi resonance was proposed (6) and recently the existence of slightly non-degenerate hydrogen atom configurations (7) in the H-bond was suggested as an explanation for the anomalies.

  12. One- and two-photon absorption spectra of the yellow fluorescent protein citrine: effects of intramolecular electron-vibrational coupling and intermolecular interactions

    NASA Astrophysics Data System (ADS)

    Chen, Fasheng; Zhao, Xinyi; Liang, WanZhen

    2018-04-01

    Both the vibrationally resolved and statistically averaged one-photon absorption (OPA) and two-photon absorption (TPA) spectra of the anionic form of chromophore (AC) in its micro-environment of yellow fluorescent protein (YFP) Citrine have been calculated. The result comparison has been made with those of the AC model compounds in vacuo and methanol solution, which allows us to allocate the individual contribution of the intramolecular electron-vibrational coupling, the electrostatic π-stacking interaction between Tyr203 and AC, and the interaction between AC and its micro-environment to the spectra. The results reveal that the non-Condon vibronic coupling effect is responsible for the blue shift of TPA absorption maximum compared with its OPA counterpart corresponding to S0 → S1, and that the π-stacking interaction between Tyr203 and AC alters the relative intensities of TPA maxima, which further enhances the higher-energy vibronic peaks and weakens the lowest-energy peak. The statically averaged OPA and TPA spectra calculated by quantum mechanics/molecular mechanics (QM/MM) methods based on Born-Oppenheimer molecular dynamics simulation largely deviate the experimental spectral lineshapes, which further verifies the significant contribution of non-Condon vibronic coupling effect on the spectra. The interaction of individual amino acid residue or water close to AC+Tyr203 has different effects on the spectra, which may increase/decrease the excitation energy depending on its position and electronic property.

  13. Analytical modeling of large amplitude free vibration of non-uniform beams carrying a both transversely and axially eccentric tip mass

    NASA Astrophysics Data System (ADS)

    Malaeke, Hasan; Moeenfard, Hamid

    2016-03-01

    The objective of this paper is to study large amplitude flexural-extensional free vibration of non-uniform cantilever beams carrying a both transversely and axially eccentric tip mass. The effects of variable axial force is also taken into account. Hamilton's principle is utilized to obtain the partial differential equations governing the nonlinear vibration of the system as well as the corresponding boundary conditions. A numerical finite difference scheme is proposed to find the natural frequencies and mode shapes of the system which is validated specifically for a beam with linearly varying cross section. Using a single mode approximation in conjunction with the Lagrange method, the governing equations are reduced to a set of two nonlinear ordinary differential equations in terms of end displacement components of the beam which are coupled due to the presence of the transverse eccentricity. These temporal coupled equations are then solved analytically using the multiple time scales perturbation technique. The obtained analytical results are compared with the numerical ones and excellent agreement is observed. The qualitative and quantitative knowledge resulting from this research is expected to enable the study of the effects of eccentric tip mass and non-uniformity on the large amplitude flexural-extensional vibration of beams for improved dynamic performance.

  14. Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli’s principle: An application to vocal folds vibration

    PubMed Central

    Zhang, Lucy T.; Yang, Jubiao

    2017-01-01

    In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli’s principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli’s principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions. PMID:29527541

  15. Evaluation of aerodynamic characteristics of a coupled fluid-structure system using generalized Bernoulli's principle: An application to vocal folds vibration.

    PubMed

    Zhang, Lucy T; Yang, Jubiao

    2016-12-01

    In this work we explore the aerodynamics flow characteristics of a coupled fluid-structure interaction system using a generalized Bernoulli equation derived directly from the Cauchy momentum equations. Unlike the conventional Bernoulli equation where incompressible, inviscid, and steady flow conditions are assumed, this generalized Bernoulli equation includes the contributions from compressibility, viscous, and unsteadiness, which could be essential in defining aerodynamic characteristics. The application of the derived Bernoulli's principle is on a fully-coupled fluid-structure interaction simulation of the vocal folds vibration. The coupled system is simulated using the immersed finite element method where compressible Navier-Stokes equations are used to describe the air and an elastic pliable structure to describe the vocal fold. The vibration of the vocal fold works to open and close the glottal flow. The aerodynamics flow characteristics are evaluated using the derived Bernoulli's principles for a vibration cycle in a carefully partitioned control volume based on the moving structure. The results agree very well to experimental observations, which validate the strategy and its use in other types of flow characteristics that involve coupled fluid-structure interactions.

  16. Vibration control of multiferroic fibrous composite plates using active constrained layer damping

    NASA Astrophysics Data System (ADS)

    Kattimani, S. C.; Ray, M. C.

    2018-06-01

    Geometrically nonlinear vibration control of fiber reinforced magneto-electro-elastic or multiferroic fibrous composite plates using active constrained layer damping treatment has been investigated. The piezoelectric (BaTiO3) fibers are embedded in the magnetostrictive (CoFe2O4) matrix forming magneto-electro-elastic or multiferroic smart composite. A three-dimensional finite element model of such fiber reinforced magneto-electro-elastic plates integrated with the active constrained layer damping patches is developed. Influence of electro-elastic, magneto-elastic and electromagnetic coupled fields on the vibration has been studied. The Golla-Hughes-McTavish method in time domain is employed for modeling a constrained viscoelastic layer of the active constrained layer damping treatment. The von Kármán type nonlinear strain-displacement relations are incorporated for developing a three-dimensional finite element model. Effect of fiber volume fraction, fiber orientation and boundary conditions on the control of geometrically nonlinear vibration of the fiber reinforced magneto-electro-elastic plates is investigated. The performance of the active constrained layer damping treatment due to the variation of piezoelectric fiber orientation angle in the 1-3 Piezoelectric constraining layer of the active constrained layer damping treatment has also been emphasized.

  17. Nozzle Flow with Vibrational Nonequilibrium. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Landry, John Gary

    1995-01-01

    Flow of nitrogen gas through a converging-diverging nozzle is simulated. The flow is modeled using the Navier-Stokes equations that have been modified for vibrational nonequilibrium. The energy equation is replaced by two equations. One equation accounts for energy effects due to the translational and rotational degrees of freedom, and the other accounts for the affects due to the vibrational degree of freedom. The energy equations are coupled by a relaxation time which measures the time required for the vibrational energy component to equilibrate with the translational and rotational energy components. An improved relaxation time is used in this thesis. The equations are solved numerically using the Steger-Warming flux vector splitting method and the Implicit MacCormack method. The results show that uniform flow is produced outside of the boundary layer. Nonequilibrium exists in both the converging and diverging nozzle sections. The boundary layer region is characterized by a marked increase in translational-rotational temperature. The vibrational temperature remains frozen downstream of the nozzle, except in the boundary layer.

  18. Selfconsistent vibrational and free electron kinetics for CO2 dissociation in cold plasmas

    NASA Astrophysics Data System (ADS)

    Capitelli, Mario

    2016-09-01

    The activation of CO2 by cold plasmas is receiving new theoretical interest thanks to two European groups. The Bogaerts group developed a global model for the activation of CO2 trying to reproduce the experimental values for DBD and microwave discharges. The approach of Pietanza et al was devoted to understand the dependence of electron energy distribution function (eedf) of pure CO2 on the presence of concentrations of electronically and vibrationally excited states taken as parameter. To understand the importance of the vibrational excitation in the dissociation process Pietanza et al compared an upper limit to the dissociation process from a pure vibrational mechanism (PVM) with the corresponding electron impact dissociation rate, the prevalence of the two models depending on the reduced electric field and on the choice of the electron molecule cross section database. Improvement of the Pietanza et al model is being considered by coupling the time dependent Boltzmann solver with the non equilibrium vibrational kinetics of asymmetric mode and with simplified plasma chemistry kinetics describing the ionization/recombination process and the excitation-deexcitation of a metastable level at 10.5eV. A new PVM mechanism is also considered. Preliminary results, for both discharge and post discharge conditions, emphasize the action of superelastic collisions involving both vibrationally and electronically excited states in affecting the eedf. The new results can be used to plan a road map for future developments of numerical codes for rationalizing existing experimental values, as well as, for indicating new experimental situations.

  19. Quantum Theories of Self-Localization

    NASA Astrophysics Data System (ADS)

    Bernstein, Lisa Joan

    In the classical dynamics of coupled oscillator systems, nonlinearity leads to the existence of stable solutions in which energy remains localized for all time. Here the quantum-mechanical counterpart of classical self-localization is investigated in the context of two model systems. For these quantum models, the terms corresponding to classical nonlinearities modify a subset of the stationary quantum states to be particularly suited to the creation of nonstationary wavepackets that localize energy for long times. The first model considered here is the Quantized Discrete Self-Trapping model (QDST), a system of anharmonic oscillators with linear dispersive coupling used to model local modes of vibration in polyatomic molecules. A simple formula is derived for a particular symmetry class of QDST systems which gives an analytic connection between quantum self-localization and classical local modes. This formula is also shown to be useful in the interpretation of the vibrational spectra of some molecules. The second model studied is the Frohlich/Einstein Dimer (FED), a two-site system of anharmonically coupled oscillators based on the Frohlich Hamiltonian and motivated by the theory of Davydov solitons in biological protein. The Born-Oppenheimer perturbation method is used to obtain approximate stationary state wavefunctions with error estimates for the FED at the first excited level. A second approach is used to reduce the first excited level FED eigenvalue problem to a system of ordinary differential equations. A simple theory of low-energy self-localization in the FED is discussed. The quantum theories of self-localization in the intrinsic QDST model and the extrinsic FED model are compared.

  20. Near-field infrared vibrational dynamics and tip-enhanced decoherence.

    PubMed

    Xu, Xiaoji G; Raschke, Markus B

    2013-04-10

    Ultrafast infrared spectroscopy can reveal the dynamics of vibrational excitations in matter. In its conventional far-field implementation, however, it provides only limited insight into nanoscale sample volumes due to insufficient spatial resolution and sensitivity. Here, we combine scattering-scanning near-field optical microscopy (s-SNOM) with femtosecond infrared vibrational spectroscopy to characterize the coherent vibrational dynamics of a nanoscopic ensemble of C-F vibrational oscillators of polytetrafluoroethylene (PTFE). The near-field mode transfer between the induced vibrational molecular coherence and the metallic scanning probe tip gives rise to a tip-mediated radiative IR emission of the vibrational free-induction decay (FID). By increasing the tip–sample coupling, we can enhance the vibrational dephasing of the induced coherent vibrational polarization and associated IR emission, with dephasing times up to T2(NF) is approximately equal to 370 fs in competition against the intrinsic far-field lifetime of T2(FF) is approximately equal to 680 fs as dominated by nonradiative damping. Near-field antenna-coupling thus provides for a new way to modify vibrational decoherence. This approach of ultrafast s-SNOM enables the investigation of spatiotemporal dynamics and correlations with nanometer spatial and femtosecond temporal resolution.

  1. Adaptive super twisting vibration control of a flexible spacecraft with state rate estimation

    NASA Astrophysics Data System (ADS)

    Malekzadeh, Maryam; Karimpour, Hossein

    2018-05-01

    The robust attitude and vibration control of a flexible spacecraft trying to perform accurate maneuvers in spite of various sources of uncertainty is addressed here. Difficulties for achieving precise and stable pointing arise from noisy onboard sensors, parameters indeterminacy, outer disturbances as well as un-modeled or hidden dynamics interactions. Based on high-order sliding-mode methods, the non-minimum phase nature of the problem is dealt with through output redefinition. An adaptive super-twisting algorithm (ASTA) is incorporated with its observer counterpart on the system under consideration to get reliable attitude and vibration control in the presence of sensor noise and momentum coupling. The closed-loop efficiency is verified through simulations under various indeterminate situations and got compared to other methods.

  2. Free vibration analysis of elastic structures submerged in an infinite or semi-infinite fluid domain by means of a coupled FE-BE solver

    NASA Astrophysics Data System (ADS)

    Zheng, Chang-Jun; Bi, Chuan-Xing; Zhang, Chuanzeng; Gao, Hai-Feng; Chen, Hai-Bo

    2018-04-01

    The vibration behavior of thin elastic structures can be noticeably influenced by the surrounding water, which represents a kind of heavy fluid. Since the feedback of the acoustic pressure onto the structure cannot be neglected in this case, a strong coupled scheme between the structural and fluid domains is usually required. In this work, a coupled finite element and boundary element (FE-BE) solver is developed for the free vibration analysis of structures submerged in an infinite fluid domain or a semi-infinite fluid domain with a free water surface. The structure is modeled by the finite element method (FEM). The compressibility of the fluid is taken into account, and hence the Helmholtz equation serves as the governing equation of the fluid domain. The boundary element method (BEM) is employed to model the fluid domain, and a boundary integral formulation with a half-space fundamental solution is used to satisfy the Dirichlet boundary condition on the free water surface exactly. The resulting nonlinear eigenvalue problem (NEVP) is converted into a small linear one by using a contour integral method. Adequate modifications are suggested to improve the efficiency of the contour integral method and avoid missing the eigenfrequencies of interest. The Burton-Miller method is used to filter out the fictitious eigenfrequencies of the boundary integral formulations. Numerical examples are given to demonstrate the accuracy and applicability of the developed eigensolver, and also show that the fluid-loading effect strongly depends on both the water depth and the mode shapes.

  3. Nonlinear vibrations analysis of rotating drum-disk coupling structure

    NASA Astrophysics Data System (ADS)

    Chaofeng, Li; Boqing, Miao; Qiansheng, Tang; Chenyang, Xi; Bangchun, Wen

    2018-04-01

    A dynamic model of a coupled rotating drum-disk system with elastic support is developed in this paper. By considering the effects of centrifugal and Coriolis forces as well as rotation-induced hoop stress, the governing differential equation of the drum-disk is derived by Donnell's shell theory. The nonlinear amplitude-frequency characteristics of coupled structure are studied. The results indicate that the natural characteristics of the coupling structure are sensitive to the supporting stiffness of the disk, and the sensitive range is affected by rotating speeds. The circumferential wave numbers can affect the characteristics of the drum-disk structure. If the circumferential wave number n = 1 , the vibration response of the drum keeps a stable value under an unbalanced load of the disk, there is no coupling effect if n ≠ 1 . Under the excitation, the nonlinear hardening characteristics of the forward traveling wave are more evident than that of the backward traveling wave. Moreover, because of the coupling effect of the drum and the disk, the supporting stiffness of the disk has certain effect on the nonlinear characteristics of the forward and backward traveling waves. In addition, small length-radius and thickness-radius ratios have a significant effect on the nonlinear characteristics of the coupled structure, which means nonlinear shell theory should be adopted to design rotating drum's parameter for its specific structural parameters.

  4. Subharmonic resonances in high-order wave mixing in the quantized atomic motion in a one-dimensional optical lattice

    NASA Astrophysics Data System (ADS)

    Lopez, J. P.; de Almeida, A. J. F.; Tabosa, J. W. R.

    2018-03-01

    We report on the observation of subharmonic resonances in high-order wave mixing associated with the quantized vibrational levels of atoms trapped in a one-dimensional optical lattice created by two intense nearly counterpropagating coupling beams. These subharmonic resonances, occurring at ±1 /2 and ±1 /3 of the frequency separation between adjacent vibrational levels, are observed through phase-match angularly resolved six- and eight-wave mixing processes. We investigate how these resonances evolve with the intensity of the incident probe beam, which couples with one of the coupling beams to create anharmonic coherence gratings between adjacent vibrational levels. Our experimental results also show evidence of high-order processes associated with coherence involving nonadjacent vibrational levels. Moreover, we also demonstrate that these induced high-order coherences can be stored in the medium and the associated optical information retrieved after a controlled storage time.

  5. Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision.

    PubMed

    Schnedermann, C; Yang, X; Liebel, M; Spillane, K M; Lugtenburg, J; Fernández, I; Valentini, A; Schapiro, I; Olivucci, M; Kukura, P; Mathies, R A

    2018-04-01

    Vibronic coupling is key to efficient energy flow in molecular systems and a critical component of most mechanisms invoking quantum effects in biological processes. Despite increasing evidence for coherent coupling of electronic states being mediated by vibrational motion, it is not clear how and to what degree properties associated with vibrational coherence such as phase and coupling of atomic motion can impact the efficiency of light-induced processes under natural, incoherent illumination. Here, we show that deuteration of the H 11 -C 11 =C 12 -H 12 double-bond of the 11-cis retinal chromophore in the visual pigment rhodopsin significantly and unexpectedly alters the photoisomerization yield while inducing smaller changes in the ultrafast isomerization dynamics assignable to known isotope effects. Combination of these results with non-adiabatic molecular dynamics simulations reveals a vibrational phase-dependent isotope effect that we suggest is an intrinsic attribute of vibronically coherent photochemical processes.

  6. Vibronic coupling and selectivity of vibrational excitation in the negative ion resonances of ozone

    NASA Astrophysics Data System (ADS)

    Allan, Michael; Popovic̀, Duška B.

    1997-04-01

    A recent experimental paper reported two shape resonances in electron impact on ozone, A 1 and B 2, both causing vibrational excitation with a distinct pattern of selectivity. The present Letter attempts to rationalize this selectivity using approximate potential curves, calculated for the A 1 and B 2 resonances by adding the SCF energy of neutral ozone to electron attachment energies calculated from ab initio virtual orbital energies using the Koopmans' theorem and an empirical scaling relation. The slopes of the curves explain the efficient excitation of the symmetric stretch by both resonances and the lack of the bending excitation by the B 2 resonance. The A 1 and B 2 resonances are strongly coupled by the b 2 antisymmetric stretch vibration, causing a double minimum on the lower surface. Nonadiabatic effects caused by the strong vibronic coupling explain the observed excitation of the antisymmetric stretch vibration.

  7. Traveling wave ultrasonic motor: coupling effects in free stator.

    PubMed

    Frayssignes, H; Briot, R

    2003-03-01

    Generally a stator of traveling wave ultrasonic motor (TWUM) consists of piezoelectric transducers (annular plate or rods) coupled by the way of a metallic ring. These transducers divided into halves are excited independently by two electrical signals with different phases of about 90 degrees. So an elastic traveling wave propagates along the circumference of the ring and a rotor pressed on this vibrating surface is then driven by the stator via contact forces. Many difficulties appear in developing TWUM because the contact between the stator and the rotor via a frictional material is very important. However that may be, the first stage consists in obtaining a vibrating stator with optimum characteristics with two symmetrical phases. The aim of this paper is to discuss some coupling effects in a free stator through an enhanced equivalent circuit model. A simple experimental method based on impedance measurements is performed to estimate the coupling characteristics at a low driving voltage. This paper reports results obtained with the free stator of the well known piezoelectric ultrasonic motor "USR60" by Shinsei Co. Ltd. Since the stator behaves as an elastic body, interactions between the two electrical inputs might be described by the introduction of a coupling oscillator. The comparison of experimental and theoretical results leads to validate the new equivalent circuit of the free stator. The presence of coupling impedance could imply a change of electrical supply condition to optimize the TWUM efficiency. The effects of unbalanced features for each electrical input and the applicability of the proposed model to actual operating condition are discussed in the paper. Copyright 2002 Elsevier Science B.V.

  8. Application of Air Coupled Acoustic Thermography (ACAT) for Inspection of Honeycomb Sandwich Structures

    NASA Technical Reports Server (NTRS)

    Winfree, William P.; Zalameda, Joseph N.; Pergantis, Charles; Flanagan, David; Deschepper, Daniel

    2009-01-01

    The application of a noncontact air coupled acoustic heating technique is investigated for the inspection of advanced honeycomb composite structures. A weakness in the out of plane stiffness of the structure, caused by a delamination or core damage, allows for the coupling of acoustic energy and thus this area will have a higher temperature than the surrounding area. Air coupled acoustic thermography (ACAT) measurements were made on composite sandwich structures with damage and were compared to conventional flash thermography. A vibrating plate model is presented to predict the optimal acoustic source frequency. Improvements to the measurement technique are also discussed.

  9. Calculation of Coupled Vibroacoustics Response Estimates from a Library of Available Uncoupled Transfer Function Sets

    NASA Technical Reports Server (NTRS)

    Smith, Andrew; LaVerde, Bruce; Hunt, Ron; Fulcher, Clay; Towner, Robert; McDonald, Emmett

    2012-01-01

    The design and theoretical basis of a new database tool that quickly generates vibroacoustic response estimates using a library of transfer functions (TFs) is discussed. During the early stages of a launch vehicle development program, these response estimates can be used to provide vibration environment specification to hardware vendors. The tool accesses TFs from a database, combines the TFs, and multiplies these by input excitations to estimate vibration responses. The database is populated with two sets of uncoupled TFs; the first set representing vibration response of a bare panel, designated as H(sup s), and the second set representing the response of the free-free component equipment by itself, designated as H(sup c). For a particular configuration undergoing analysis, the appropriate H(sup s) and H(sup c) are selected and coupled to generate an integrated TF, designated as H(sup s +c). This integrated TF is then used with the appropriate input excitations to estimate vibration responses. This simple yet powerful tool enables a user to estimate vibration responses without directly using finite element models, so long as suitable H(sup s) and H(sup c) sets are defined in the database libraries. The paper discusses the preparation of the database tool and provides the assumptions and methodologies necessary to combine H(sup s) and H(sup c) sets into an integrated H(sup s + c). An experimental validation of the approach is also presented.

  10. Vibrational self-consistent field theory using optimized curvilinear coordinates.

    PubMed

    Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H

    2017-07-28

    A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

  11. High temperature superconductors for magnetic suspension applications

    NASA Technical Reports Server (NTRS)

    Mcmichael, C. K.; Cooley, R. S.; Chen, Q. Y.; Ma, K. B.; Lamb, M. A.; Meng, R. L.; Chu, C. W.; Chu, W. K.

    1994-01-01

    High temperature superconductors (HTS) hold the promise for applications in magnetic levitation bearings, vibration damping, and torque coupling. Traditional magnetic suspension systems require active feedback and vibration controls in which power consumption and low frequency vibration are among the major engineering concerns. HTS materials have been demonstrated to be an enabling approach towards such problems due to their flux trapping properties. In our laboratory at TCSUH, we have been conducting a series of experiments to explore various mechanical applications using HTS. We have constructed a 30 lb. model flywheel levitated by a hybrid superconducting magnetic bearing (HSMB). We are also developing a levitated and vibration-dampled platform for high precision instrumentation. These applications would be ideal for space usages where ambient temperature is adequate for HTS to operate properly under greatly reduced cryogenic requirements. We will give a general overview of these potential applications and discuss the operating principles of the HTS devices we have developed.

  12. Acoustic buffeting by infrasound in a low vibration facility.

    PubMed

    MacLeod, B P; Hoffman, J E; Burke, S A; Bonn, D A

    2016-09-01

    Measurement instruments and fabrication tools with spatial resolution on the atomic scale require facilities that mitigate the impact of vibration sources in the environment. One approach to protection from vibration in a building's foundation is to place the instrument on a massive inertia block, supported on pneumatic isolators. This opens the questions of whether or not a massive floating block is susceptible to acoustic forces, and how to mitigate the effects of any such acoustic buffeting. Here this is investigated with quantitative measurements of vibrations and sound pressure, together with finite element modeling. It is shown that a particular concern, even in a facility with multiple acoustic enclosures, is the excitation of the lowest fundamental acoustic modes of the room by infrasound in the low tens of Hz range, and the efficient coupling of the fundamental room modes to a large inertia block centered in the room.

  13. Simulation of amide I' band profiles of trans polyproline based on an excitonic coupling model

    NASA Astrophysics Data System (ADS)

    Measey, Thomas; Schweitzer-Stenner, Reinhard

    2005-06-01

    We measured the amide I' band profile of the IR, isotropic Raman, anisotropic Raman, and Vibrational Circular Dichroism spectrum of poly- L-proline in D 2O. The band shapes were modeled by using an algorithm that exploits the delocalized character of the excited vibrational states [R. Schweitzer-Stenner, J. Phys. Chem. B. 108 (2004) 16965]. The band shapes could be quantitatively reproduced by invoking the polyproline II or 3 1-helix conformation for all peptide residues. This corroborates the notion that the combined use of the above spectroscopies is an ideal tool to discriminate different conformations associated with the so-called random coil state of peptides.

  14. Electronically non-adiabatic interactions of molecules at metal surfaces

    NASA Astrophysics Data System (ADS)

    Wodtke, Alec M.; Tully, John C.; Auerbach, Daniel J.

    When neutral molecules with low levels of vibrational excitation collide at metal surfaces, vibrational coupling to electron-hole pairs (EHPs) is not thought to be strong unless incidence energies are high. However, there is accumulating evidence that coupling of large-amplitude molecular vibration to metallic electron degrees of freedom can be much stronger even at the lowest accessible incidence energies. As reaching a chemical transition-state also involves large-amplitude vibrational motion, we pose the basic question: are electronically non-adiabatic couplings important at transition states of reactions at metal surfaces? We have indirect evidence in at least one example that the dynamics and rates of chemical reactions at metal surfaces may be strongly influenced by electronically non-adiabatic coupling. This implies that theoretical approaches relying on the Born-Oppenheimer approximation (BOA) may not accurately reflect the nature of transition-state traversal in reactions of catalytic importance. Developing a predictive understanding of surface reactivity beyond the BOA represents one of the most important challenges to current research in physical chemistry. This article reviews the experimental evidence and underlying theoretical framework concerning these and related topics.

  15. Structural vibration and acoustic radiation of coupled propeller-shafting and submarine hull system due to propeller forces

    NASA Astrophysics Data System (ADS)

    Qu, Yegao; Su, Jinpeng; Hua, Hongxing; Meng, Guang

    2017-08-01

    This paper investigates the structural and acoustic responses of a coupled propeller-shafting and submarine pressure hull system under different propeller force excitations. The entire system, which consists of a rigid propeller, a main shaft, two bearings and an orthogonally stiffened pressure hull, is submerged in a heavy fluid. The shaft is elastically connected to the pressure hull by a radial bearing and a thrust bearing. The theoretical model of the structural system is formulated based on a modified variational method, in which the propeller, the main shaft and the bearings are treated as a lumped mass, an elastic beam and spatially distributed spring-damper systems, respectively. The rings and stringers in the pressure hull are modeled as discrete structural elements. The acoustic field generated by the hull is calculated using a spectral Kirchhoff-Helmholtz integral formulation. A strongly coupled structure-acoustic interaction analysis is employed to achieve reasonable solutions for the coupled system. The displacement of the pressure hull and the sound pressure of the fluid are expanded in the form of a double mixed series using Fourier series and Chebyshev orthogonal polynomials, providing a flexible way for the present method to account for the individual contributions of circumferential wave modes to the vibration and acoustic responses of the pressure hull in an analytical manner. The contributions of different circumferential wave modes of the pressure hull to the structural and acoustic responses of the coupled system under axial, transversal and vertical propeller forces are investigated. Computed results are compared with those solutions obtained from the coupled finite element/boundary element method. Effects of the ring and the bearing stiffness on the acoustic responses of the coupled system are discussed.

  16. a Study of the Role of Large-Amplitude Motions in Unimolecular Energy Transfer Using Molecular Beam Optothermal Spectroscopy.

    NASA Astrophysics Data System (ADS)

    Miller, Carl Cameron

    1995-01-01

    The role of molecular structure in energy transfer reactions in the ground and excited electronic states was explored using optothermal spectroscopy. In the ground state, the relationship between intramolecular van der Waals interactions and vibrational mode coupling was explored in a homologous series of disubstituted ethanes, including Gg^' -2-fluoroethanol, g-1,2-difluoroethane, g-1-chloro-2-fluoroethane, t-1-chloro-2-fluoroethane, and 1,1,2-trifluoroethane. This series of substituted ethanes varies in degree of van der Waals interactions that hinder internal rotation about the C-C bond. High resolution infrared molecular beam spectroscopy was used to determine the extent of vibrational mode coupling. Perturbations in the rotational structure of these molecules provided a measure of vibrational mode coupling. We have observed that the degree of intramolecular interaction, which is dependent on the van der Waals separation of the substituents and the shape of the potential well, correlates with the extent of vibrational mode coupling. The extent of vibrational mode coupling in this series of molecules did not correlate with the density of states available for coupling. Therefore, density of states alone is insufficient to explain the observed trend. In the excited electronic state, optothermal detection has been used to observe non-radiative relaxation channels in aniline, p-bromoaniline and trans-stilbene. p-Bromoaniline has no detectable fluorescence due to a heavy atom effect which increases the rate of intersystem crossing to the triplet state. An optothermal spectrum of p-bromoaniline was observed with the origin at 32625 cm^ {-1}. For trans-stilbene the differences between the laser excitation spectrum and the optothermal spectrum of the S_1 state clearly show the onset of isomerization at ~1250 cm^{-1} above the origin. Absolute quantum yields of fluorescence, Frank-Condon factors, non -radiative rates, and radiative rates have been obtained for a series of vibronic transitions. For low energy vibrational states there is good agreement between the current study and previous work. For vibrational energies above the barrier of isomerization predicted quantum yields do not agree with our experimental results.

  17. Dynamics and couplings of N-H stretching excitations of guanosine-cytidine base pairs in solution.

    PubMed

    Yang, Ming; Szyc, Łukasz; Röttger, Katharina; Fidder, Henk; Nibbering, Erik T J; Elsaesser, Thomas; Temps, Friedrich

    2011-05-12

    N-H stretching vibrations of hydrogen-bonded guanosine-cytidine (G·C) base pairs in chloroform solution are studied with linear and ultrafast nonlinear infrared (IR) spectroscopy. Assignment of the IR-active bands in the linear spectrum is made possible by combining structural information on the hydrogen bonds in G·C base pairs with literature results of density functional theory calculations, and empirical relations connecting frequency shifts and intensity of the IR-active vibrations. A local mode representation of N-H stretching vibrations is adopted, consisting of ν(G)(NH(2))(f) and ν(C)(NH(2))(f) modes for free NH groups of G and C, and of ν(G)(NH(2))(b), ν(G)(NH), and ν(C)(NH(2))(b) modes associated with N-H stretching motions of hydrogen-bonded NH groups. The couplings and relaxation dynamics of the N-H stretching excitations are studied with femtosecond mid-infrared two-dimensional (2D) and pump-probe spectroscopy. The N-H stretching vibrations of the free NH groups of G and C have an average population lifetime of 2.4 ps. Besides a vibrational population lifetime shortening to subpicosecond values observed for the hydrogen-bonded N-H stretching vibrations, the 2D spectra reveal vibrational excitation transfer from the ν(G)(NH(2))(b) mode to the ν(G)(NH) and/or ν(C)(NH(2))(b) modes. The underlying intermode vibrational couplings are on the order of 10 cm(-1).

  18. A Coupled Aeroelastic Model for Launch Vehicle Stability Analysis

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.

    2010-01-01

    A technique for incorporating distributed aerodynamic normal forces and aeroelastic coupling effects into a stability analysis model of a launch vehicle is presented. The formulation augments the linear state-space launch vehicle plant dynamics that are compactly derived as a system of coupled linear differential equations representing small angular and translational perturbations of the rigid body, nozzle, and sloshing propellant coupled with normal vibration of a set of orthogonal modes. The interaction of generalized forces due to aeroelastic coupling and thrust can be expressed as a set of augmenting non-diagonal stiffness and damping matrices in modal coordinates with no penalty on system order. While the eigenvalues of the structural response in the presence of thrust and aeroelastic forcing can be predicted at a given flight condition independent of the remaining degrees of freedom, the coupled model provides confidence in closed-loop stability in the presence of rigid-body, slosh, and actuator dynamics. Simulation results are presented that characterize the coupled dynamic response of the Ares I launch vehicle and the impact of aeroelasticity on control system stability margins.

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

    NASA Astrophysics Data System (ADS)

    Schwenke, David W.; Truhlar, Donald G.

    1988-04-01

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

  20. Modelling and characteristic analysis of tri-axle trucks with hydraulically interconnected suspensions

    NASA Astrophysics Data System (ADS)

    Ding, Fei; Han, Xu; Luo, Zhen; Zhang, Nong

    2012-12-01

    In this paper, a new hydraulically interconnected suspension (HIS) system is proposed for the implementation of a resistance control for the pitch and bounce modes of tri-axle heavy trucks. A lumped-mass half-truck model is established using the free-body diagram method. The equations of motion of a mechanical and hydraulic coupled system are developed by incorporating the hydraulic strut forces into the mechanical subsystem as externally applied forces. The transfer matrix method (TMM) is used to evaluate the impedance matrix of the hydraulic subsystem consisting of models of fluid pipes, damper valves, accumulators, and three-way junctions. The TMM is further applied to find the quantitative relationships between the hydraulic strut forces and boundary flow of the mechanical-fluid interactive subsystem. The modal analysis method is employed to perform the vibration analysis between the trucks with the conventional suspension and the proposed HIS. Comparison analysis focuses on free vibration with identified eigenvalues and eigenvectors, isolation vibration capacity, and force vibration in terms of the power spectrum density responses. The obtained results show the effectiveness of the proposed HIS system in reducing the pitch motion of sprung mass and simultaneously maintaining the ride comfort. The pitch stiffness is increased while the bounce stiffness is slightly softened. The peak values of sprung mass and wheel hop motions are greatly reduced, and the vibration decay rate of sprung mass is also significantly increased.

  1. Four-Photon Stark Induced Ladder Climbing Prepares Large Ensemble of H2in Selected High Lying Vibrational Levels

    NASA Astrophysics Data System (ADS)

    Mukherjee, Nandini; Perreault, William; Zare, Richard

    2017-04-01

    To selectively prepare highly vibrationally excited quantum states of molecules like H2, we present a novel multi-photon ladder-climbing technique where the successive rungs of the ladder are connected by Stark-induced adiabatic Raman passage (SARP). Previously, we have demonstrated that SARP achieves complete population transfer from the v = 0 to the v = 1 and v = 4 levels of H2. We show here that SARP can be generalized into a continuously coupled, multiphoton adiabatic passage which uses one or more intermediate states having strong Raman coupling to access highly vibrationally excited states weakly coupled to the ground state. As an example, we consider the case of four-photon coherent excitation to high vibrational levels of H2 via an intermediate level coupled to both the initial and target levels by two-photon SARP. Using a sequence of commercially available single mode, nanosecond lasers, a pump pulse partially overlapping with two Stokes pulses, we show that the complete population of v = 0 can be selectively transferred to the most weakly coupled v = 6 and v = 9 vibrational levels of H2, without leaving any population stranded in the intermediate level. The present method provides a practical way of generating an entangled pair of fragments without resorting to an ultracold system. This work has been supported by US Army Research Office under ARO Grant No. W911NF-16-1-1061.

  2. Performance of a reduced-order FSI model for flow-induced vocal fold vibration

    NASA Astrophysics Data System (ADS)

    Luo, Haoxiang; Chang, Siyuan; Chen, Ye; Rousseau, Bernard; PhonoSim Team

    2017-11-01

    Vocal fold vibration during speech production involves a three-dimensional unsteady glottal jet flow and three-dimensional nonlinear tissue mechanics. A full 3D fluid-structure interaction (FSI) model is computationally expensive even though it provides most accurate information about the system. On the other hand, an efficient reduced-order FSI model is useful for fast simulation and analysis of the vocal fold dynamics, which can be applied in procedures such as optimization and parameter estimation. In this work, we study performance of a reduced-order model as compared with the corresponding full 3D model in terms of its accuracy in predicting the vibration frequency and deformation mode. In the reduced-order model, we use a 1D flow model coupled with a 3D tissue model that is the same as in the full 3D model. Two different hyperelastic tissue behaviors are assumed. In addition, the vocal fold thickness and subglottal pressure are varied for systematic comparison. The result shows that the reduced-order model provides consistent predictions as the full 3D model across different tissue material assumptions and subglottal pressures. However, the vocal fold thickness has most effect on the model accuracy, especially when the vocal fold is thin.

  3. Surface vibrational relaxation of N2 studied by infrared titration with time resolved Quantum Cascade Laser diagnostics

    NASA Astrophysics Data System (ADS)

    Marinov, D.; Guaitella, O.; Rousseau, A.; Lopatik, D.; Hübner, M.; Röpcke, J.; Ionikh, Yu

    2012-10-01

    Relaxation of vibrationally excited nitrogen molecules on reactor walls is the most efficient N2(v) loss mechanism in laboratory plasmas at pressures up to few tens of mbars. In the present study a new method for determination of the de-excitation probability γN2 of vibrationally excited N2 on different surfaces has been developed. A short dc discharge pulse was applied to a mixture containing 0.05-1% of CO2, N2O or CO in N2 at 1.3 mbar. Due to a very efficient vibrational coupling between N2(v) and CO2 (N2O, CO), the vibrational excitation of these titrating molecules is an image of the vibrational excitation of N2. In the afterglow, the vibrational relaxation was monitored in-situ using quantum cascade laser absorption spectroscopy. The measurements were performed in a single discharge pulse without signal accumulation. Experimental results were interpreted in terms of a numerical model of non-equilibrium vibrational kinetics. The value of γN2 was determined from the best agreement between the measured and calculated relaxation times. Using new technique the relaxation probability of N2(v) was measured for SiO2, TiO2, Al2O3, Pyrex and anodized aluminum.

  4. Shunted Piezoelectric Vibration Damping Analysis Including Centrifugal Loading Effects

    NASA Technical Reports Server (NTRS)

    Min, James B.; Duffy, Kirsten P.; Provenza, Andrew J.

    2011-01-01

    Excessive vibration of turbomachinery blades causes high cycle fatigue problems which require damping treatments to mitigate vibration levels. One method is the use of piezoelectric materials as passive or active dampers. Based on the technical challenges and requirements learned from previous turbomachinery rotor blades research, an effort has been made to investigate the effectiveness of a shunted piezoelectric for the turbomachinery rotor blades vibration control, specifically for a condition with centrifugal rotation. While ample research has been performed on the use of a piezoelectric material with electric circuits to attempt to control the structural vibration damping, very little study has been done regarding rotational effects. The present study attempts to fill this void. Specifically, the objectives of this study are: (a) to create and analyze finite element models for harmonic forced response vibration analysis coupled with shunted piezoelectric circuits for engine blade operational conditions, (b) to validate the experimental test approaches with numerical results and vice versa, and (c) to establish a numerical modeling capability for vibration control using shunted piezoelectric circuits under rotation. Study has focused on a resonant damping control using shunted piezoelectric patches on plate specimens. Tests and analyses were performed for both non-spinning and spinning conditions. The finite element (FE) shunted piezoelectric circuit damping simulations were performed using the ANSYS Multiphysics code for the resistive and inductive circuit piezoelectric simulations of both conditions. The FE results showed a good correlation with experimental test results. Tests and analyses of shunted piezoelectric damping control, demonstrating with plate specimens, show a great potential to reduce blade vibrations under centrifugal loading.

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

    PubMed Central

    Mangussi, Franco

    2016-01-01

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

  6. Analysis of hysteresis effect on the vibration motion of a bimodal non-uniform micro-cantilever using MCS theory

    NASA Astrophysics Data System (ADS)

    Korayem, M. H.; Korayem, A. H.; Hosseini Hashemi, Sh.

    2016-02-01

    Nowadays, to enhance the performance of atomic force microscopy (AFM) micro-cantilevers (MCs) during imaging, reduce costs and increase the surface topography precision, advanced MCs equipped with piezoelectric layers are utilized. Using the modified couple stress (MCS) theory not only makes the modeling more exhaustive, but also increases the accuracy of prediction of the vibration behavior of the system. In this paper, Hamilton's principle by consideration of the MCS theory has been used to extract the equations. In addition, to discretize the equations, differential quadrature method has been adopted. Analysis of the hysteresis effect on the vibration behavior of the AFM MC is of significant importance. Thus, to model the hysteresis effect, Bouc-Wen method, which is solved simultaneously with the vibration equations of non-uniform Timoshenko beam, has been utilized. Furthermore, a bimodal excitation of the MC has been considered. The results reveal that the hysteresis effect appears as a phase difference in the time response. Finally, the effect of the geometric parameters on the vibration frequency of the system which is excited by combination of the first two vibration modes of the non-uniform piezoelectric MC has been examined. The results indicate the considerable effect of the MC length in comparison with other geometric parameters such as the MC width and thickness.

  7. Development of a model to assess acoustic treatments to reduce railway noise

    NASA Astrophysics Data System (ADS)

    Jeong, H.; Squicciarini, G.; Thompson, D. J.; Ryue, J.

    2016-09-01

    Porous materials have recently been used in absorptive treatments around railway tracks to reduce noise emissions. To investigate the effect of porous materials, a finite element model has been developed. 2D models for porous materials have been considered either as an equivalent fluid or as a poroelastic material based on the Biot theory. The two models have been validated and compared with each other to check the effect of the skeleton vibration. The poroelastic FE model has been coupled with a 2D acoustic boundary element model for use in railway applications. The results show that it may be necessary to include the frame vibration, especially at low frequencies where a frame resonance occurs. A method for the characterization of porous materials is also discussed. From this it is shown that the elastic properties of the material determine the resonance frequency and the magnitude.

  8. Modeling and analysis of Galfenol cantilever vibration energy harvester with nonlinear magnetic force

    NASA Astrophysics Data System (ADS)

    Cao, Shuying; Sun, Shuaishuai; Zheng, Jiaju; Wang, Bowen; Wan, Lili; Pan, Ruzheng; Zhao, Ran; Zhang, Changgeng

    2018-05-01

    Galfenol traditional cantilever energy harvesters (TCEHs) have bigger electrical output only at resonance and exhibit nonlinear mechanical-magnetic-electric coupled (NMMEC) behaviors. To increase low-frequency broadband performances of a TCEH, an improved CEH (ICEH) with magnetic repulsive force is studied. Based on the magnetic dipole model, the nonlinear model of material, the Faraday law and the dynamic principle, a lumped parameter NMMEC model of the devices is established. Comparisons between the calculated and measured results show that the proposed model can provide reasonable data trends of TCEH under acceleration, bias field and different loads. Simulated results show that ICEH exhibits low-frequency resonant, hard spring and bistable behaviors, thus can harvest more low-frequency broadband vibration energy than TCEH, and can elicit snap-through and generate higher voltage even under weak noise. The proposed structure and model are useful for improving performances of the devices.

  9. Nonlinear air-coupled emission: The signature to reveal and image microdamage in solid materials

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

    Solodov, Igor; Busse, Gerd

    2007-12-17

    It is shown that low-frequency elastic vibrations of near-surface planar defects cause high-frequency ultrasonic radiation in surrounding air. The frequency conversion mechanism is concerned with contact nonlinearity of the defect vibrations and provides efficient generation of air-coupled higher-order ultraharmonics, ultrasubharmonics, and combination frequencies. The nonlinear air-coupled ultrasonic emission is applied for location and high-resolution imaging of damage-induced defects in a variety of solid materials.

  10. Coupled multi-disciplinary composites behavior simulation

    NASA Technical Reports Server (NTRS)

    Singhal, Surendra N.; Murthy, Pappu L. N.; Chamis, Christos C.

    1993-01-01

    The capabilities of the computer code CSTEM (Coupled Structural/Thermal/Electro-Magnetic Analysis) are discussed and demonstrated. CSTEM computationally simulates the coupled response of layered multi-material composite structures subjected to simultaneous thermal, structural, vibration, acoustic, and electromagnetic loads and includes the effect of aggressive environments. The composite material behavior and structural response is determined at its various inherent scales: constituents (fiber/matrix), ply, laminate, and structural component. The thermal and mechanical properties of the constituents are considered to be nonlinearly dependent on various parameters such as temperature and moisture. The acoustic and electromagnetic properties also include dependence on vibration and electromagnetic wave frequencies, respectively. The simulation is based on a three dimensional finite element analysis in conjunction with composite mechanics and with structural tailoring codes, and with acoustic and electromagnetic analysis methods. An aircraft engine composite fan blade is selected as a typical structural component to demonstrate the CSTEM capabilities. Results of various coupled multi-disciplinary heat transfer, structural, vibration, acoustic, and electromagnetic analyses for temperature distribution, stress and displacement response, deformed shape, vibration frequencies, mode shapes, acoustic noise, and electromagnetic reflection from the fan blade are discussed for their coupled effects in hot and humid environments. Collectively, these results demonstrate the effectiveness of the CSTEM code in capturing the coupled effects on the various responses of composite structures subjected to simultaneous multiple real-life loads.

  11. Quantitative Probes of Electron-Phonon Coupling in an Organic Charge-Transfer Material

    NASA Astrophysics Data System (ADS)

    Rury, Aaron; Sorenson, Shayne; Driscoll, Eric; Dawlaty, Jahan

    While organic charge transfer (CT) materials may provide alternatives to inorganic materials in electronics and photonics applications, properties central to applications remain understudied in these organic materials. Specifically, electron-phonon coupling plays a pivotal role in electronic applications yet this coupling in CT materials remains difficult to directly characterize. To better understand the suitability of organic CT materials for electronic applications, we have devised an experimental technique that can directly assess electron-phonon coupling in a model organic CT material. Upon non-resonant interaction with an ultrafast laser pulse, we show that coherent excitation of Raman-active lattice vibrations of quinhydrone, a 1:1 co-crystal of the hydroquinone and p-benzoquinone, modulates the energies of electronic transitions probed by a white light pulse. Using a well-established theoretical framework of vibrational quantum beat spectra across the probe bandwidth, we quantitatively extract the parameters describing these electronic transitions to characterize electron-phonon coupling in this material. In conjunction with temperature-dependent resonance Raman measurements, we assess the hypothesis that several sharp transitions in the near-IR correspond to previously unknown excitonic states of this material. These results and their interpretation set the foundation for further elucidation of the one of the most important parameters in the application of organic charge-transfer materials to electronics and photonics.

  12. Experimental-theoretical investigation of the vibration characteristics of rotating composite box beams

    NASA Astrophysics Data System (ADS)

    Chandra, Ramesh; Chopra, Inderjit

    1992-08-01

    The objective of the study was to predict the effect of elastic couplings on the free vibration characteristics of thin-walled composite box beams and to correlate the results with experimental data. The free vibration characteristics of coupled thin-walled composite beams under rotation were determined using the Galerkin method. The theoretical results were found to be in satisfactory agreement with experimental data obtained for graphite/epoxy, kevlar/epoxy, and glass/epoxy composite beams in an in-vacuo test facility at different rotational speeds.

  13. Incorporation of coupled nonequilibrium chemistry into a two-dimensional nozzle code (SEAGULL)

    NASA Technical Reports Server (NTRS)

    Ratliff, A. W.

    1979-01-01

    A two-dimensional multiple shock nozzle code (SEAGULL) was extended to include the effects of finite rate chemistry. The basic code that treats multiple shocks and contact surfaces was fully coupled with a generalized finite rate chemistry and vibrational energy exchange package. The modified code retains all of the original SEAGULL features plus the capability to treat chemical and vibrational nonequilibrium reactions. Any chemical and/or vibrational energy exchange mechanism can be handled as long as thermodynamic data and rate constants are available for all participating species.

  14. Prediction of high-frequency vibration transmission across coupled, periodic ribbed plates by incorporating tunneling mechanisms.

    PubMed

    Yin, Jianfei; Hopkins, Carl

    2013-04-01

    Prediction of structure-borne sound transmission on built-up structures at audio frequencies is well-suited to Statistical Energy Analysis (SEA) although the inclusion of periodic ribbed plates presents challenges. This paper considers an approach using Advanced SEA (ASEA) that can incorporate tunneling mechanisms within a statistical approach. The coupled plates used for the investigation form an L-junction comprising a periodic ribbed plate with symmetric ribs and an isotropic homogeneous plate. Experimental SEA (ESEA) is carried out with input data from Finite Element Methods (FEM). This indicates that indirect coupling is significant at high frequencies where bays on the periodic ribbed plate can be treated as individual subsystems. SEA using coupling loss factors from wave theory leads to significant underestimates in the energy of the bays when the isotropic homogeneous plate is excited. This is due to the absence of tunneling mechanisms in the SEA model. In contrast, ASEA shows close agreement with FEM and laboratory measurements. The errors incurred with SEA rapidly increase as the bays become more distant from the source subsystem. ASEA provides significantly more accurate predictions by accounting for the spatial filtering that leads to non-diffuse vibration fields on these more distant bays.

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

    Lee, Myeong H., E-mail: myeong.lee@warwick.ac.uk; Troisi, Alessandro

    Vibronic coupling between the electronic and vibrational degrees of freedom has been reported to play an important role in charge and exciton transport in organic photovoltaic materials, molecular aggregates, and light-harvesting complexes. Explicitly accounting for effective vibrational modes rather than treating them as a thermal environment has been shown to be crucial to describe the effect of vibronic coupling. We present a methodology to study dissipative quantum dynamics of vibronically coupled systems based on a surrogate Hamiltonian approach, which is in principle not limited by Markov approximation or weak system-bath interaction, using a vibronic basis. We apply vibronic surrogate Hamiltonianmore » method to a linear chain system and discuss how different types of relaxation process, intramolecular vibrational relaxation and intermolecular vibronic relaxation, influence population dynamics of dissipative vibronic systems.« less

  16. Lateral hopping of CO molecules on Pt(111) surface by femtosecond laser pulses

    NASA Astrophysics Data System (ADS)

    Hayashi, M.; Ootsuka, Y.; Paulsson, M.; Persson, B. N. J.; Ueba, H.

    2009-12-01

    Theory of heat transfer between adsorbate vibrational degrees of freedom and ultrafast laser heated hot electrons including vibrational intermode coupling is applied to calculate two-pulse correlation, laser fluence dependence and time dependence of lateral hopping of CO molecules from a step to terrace site on a stepped Pt (111) surface. The intermode coupling is a key ingredient to describe vibrational heating of the frustrated translation mode responsible for the CO hopping. The calculated results are in good agreement with the experimental results, especially if we scale down the experimentally determined absorbed fluence. It is found that CO hopping is induced by indirect heating of the FT mode by the FR mode with a strong frictional coupling to hot electrons.

  17. Coupled rotor/airframe vibration analysis program manual. Volume 2: Sample input and output listings

    NASA Technical Reports Server (NTRS)

    Cassarino, S.; Sopher, R.

    1982-01-01

    Sample input and output listings obtained with the base program (SIMVIB) of the coupled rotor/airframe vibration analysis and the external programs, G400/F389 and E927 are presented. Results for five of the base program test cases are shown. They represent different applications of the SIMVIB program to study the vibration characteristics of various dynamic configurations. Input and output listings obtained for one cycle of the G400/F389 coupled program are presented. Results from the rotor aeroelastic analysis E927 also appear. A brief description of the check cases is provided. A summary of the check cases for all the external programs interacting with the SIMVIB program is illustrated.

  18. In Vitro Comparison of a Vibrating Mesh Nebulizer Operating in Inspiratory Synchronized and Continuous Nebulization Modes During Noninvasive Ventilation.

    PubMed

    Michotte, Jean-Bernard; Staderini, Enrico; Le Pennec, Deborah; Dugernier, Jonathan; Rusu, Rares; Roeseler, Jean; Vecellio, Laurent; Liistro, Giuseppe; Reychler, Grégory

    2016-08-01

    Backround: Coupling nebulization with noninvasive ventilation (NIV) has been shown to be effective in patients with respiratory diseases. However, a breath-synchronized nebulization option that could potentially improve drug delivery by limiting drug loss during exhalation is currently not available on bilevel ventilators. The aim of this in vitro study was to compare aerosol delivery of amikacin with a vibrating mesh nebulizer coupled to a single-limb circuit bilevel ventilator, using conventional continuous (Conti-Neb) and experimental inspiratory synchronized (Inspi-Neb) nebulization modes. Using an adult lung bench model of NIV, we tested a vibrating mesh device coupled with a bilevel ventilator in both nebulization modes. Inspi-Neb delivered aerosol only during the whole inspiratory phase, whereas Conti-Neb delivered aerosol continuously. The nebulizer was charged with amikacin solution (250 mg/3 mL) and placed at two different positions: between the lung and exhalation port and between the ventilator and exhalation port. Inhaled, expiratory wasted and circuit lost doses were assessed by residual gravimetric method. Particle size distribution of aerosol delivered at the outlet of the ventilator circuit during both nebulization modes was measured by laser diffraction method. Regardless of the nebulizer position, Inspi-Neb produced higher inhaled dose (p < 0.01; +6.3% to +16.8% of the nominal dose), lower expiratory wasted dose (p < 0.05; -2.7% to -42.6% of the nominal dose), and greater respirable dose (p < 0.01; +8.4% to +15.2% of the nominal dose) than Conti-Neb. The highest respirable dose was found with the nebulizer placed between the lung and exhalation port (48.7% ± 0.3% of the nominal dose). During simulated NIV with a single-limb circuit bilevel ventilator, the use of inspiratory synchronized vibrating mesh nebulization improves respirable dose and reduces drug loss of amikacin compared with continuous vibrating mesh nebulization.

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

    Merzari, E.; Yuan, Haomin; Kraus, A.

    The NEAMS program aims to develop an integrated multi-physics simulation capability “pellet-to-plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite's multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. Flow-induced vibration (FIV) is widespread problem in energy systems because they rely on fluid movement for energy conversion. Vibrating structures may be damaged as fatigue or wear occurs. Given the importance of reliable componentsmore » in the nuclear industry, flow-induced vibration has long been a major concern in safety and operation of nuclear reactors. In particular, nuclear fuel rods and steam generators have been known to suffer from flow-induced vibration and related failures. Advanced reactors, such as integral Pressurized Water Reactors (PWRs) considered for Small Modular Reactors (SMR), often rely on innovative component designs to meet cost and safety targets. One component that is the subject of advanced designs is the steam generator, some designs of which forego the usual shell-and-tube architecture in order to fit within the primary vessel. In addition to being more cost- and space-efficient, such steam generators need to be more reliable, since failure of the primary vessel represents a potential loss of coolant and a safety concern. A significant amount of data exists on flow-induced vibration in shell-and-tube heat exchangers, and heuristic methods are available to predict their occurrence based on a set of given assumptions. In contrast, advanced designs have far less data available. Advanced modeling and simulation based on coupled structural and fluid simulations have the potential to predict flow-induced vibration in a variety of designs, reducing the need for expensive experimental programs, especially at the design stage. Over the past five years, the Reactor Product Line has developed the integrated multi-physics code suite SHARP. The goal of developing such a tool is to perform multi-physics neutronics, thermal/fluid, and structural mechanics modeling of the components inside the full reactor core or portions of it with a user-specified fidelity. In particular SHARP contains high-fidelity single-physics codes Diablo for structural mechanics and Nek5000 for fluid mechanics calculations. Both codes are state-of-the-art, highly scalable tools that have been extensively validated. These tools form a strong basis on which to build a flow-induced vibration modeling capability. In this report we discuss one-way coupled calculations performed with Nek5000 and Diablo aimed at simulating available FIV experiments in helical steam generators in the turbulent buffeting regime. In this regime one-way coupling is judged sufficient because the pressure loads do not cause substantial displacements. It is also the most common source of vibration in helical steam generators at the low flows expected in integral PWRs. The legacy data is obtained from two datasets developed at Argonne and B&W.« less

  20. Investigation of Heat Transfer and Magnetohydrodynamic Flow in Electroslag Remelting Furnace Using Vibrating Electrode

    NASA Astrophysics Data System (ADS)

    Wang, Fang; Wang, Qiang; Lou, Yanchun; Chen, Rui; Song, Zhaowei; Li, Baokuan

    2016-01-01

    A transient three-dimensional (3D) coupled mathematical model has been developed to understand the effect of a vibrating electrode on the electromagnetic, two-phase flow and temperature fields as well as the solidification in the electroslag remelting (ESR) process. With the magnetohydrodynamic model, the Joule heating and Lorentz force, which are the source terms in the energy and momentum equations, are recalculated at each iteration as a function of the phase distribution. The influence of the vibrating electrode on the formation of the metal droplet is demonstrated by the volume of fluid approach. Additionally, the solidification of the metal is modeled by an enthalpy-based technique, in which the mushy zone is treated as a porous medium with porosity equal to the liquid fraction. The present work is the first attempt to investigate the innovative technology of the ESR process with a vibrating electrode by a transient 3D comprehensive model. A reasonable agreement between the experiment and simulation is obtained. The results indicate that the whole process is presented as a periodic activity. When the metal droplets fall from the tip of the electrode, the horizontal component of velocity will generate electrode vibration. This will lead to the distribution variation of the flow field in the slag layer. The variation of temperature distribution occurs regularly and is periodically accompanied by the behavior of the falling metal droplets. With the decreasing vibrating frequency and amplitude, the relative velocity of the electrode and molten slag increase accordingly. The diameter of the molten droplets, the maximum temperature and the depth of the molten pool gradually become smaller, lower and shallower.

  1. Nonlinear discrete-time multirate adaptive control of non-linear vibrations of smart beams

    NASA Astrophysics Data System (ADS)

    Georgiou, Georgios; Foutsitzi, Georgia A.; Stavroulakis, Georgios E.

    2018-06-01

    The nonlinear adaptive digital control of a smart piezoelectric beam is considered. It is shown that in the case of a sampled-data context, a multirate control strategy provides an appropriate framework in order to achieve vibration regulation, ensuring the stability of the whole control system. Under parametric uncertainties in the model parameters (damping ratios, frequencies, levels of non linearities and cross coupling, control input parameters), the scheme is completed with an adaptation law deduced from hyperstability concepts. This results in the asymptotic satisfaction of the control objectives at the sampling instants. Simulation results are presented.

  2. Efficient assembly of finite-element subsystems with large relative rotations. [for rotorcraft dynamic characteristics

    NASA Technical Reports Server (NTRS)

    Fuh, Jon-Shen; Panda, Brahmananda; Peters, David A.

    1988-01-01

    A finite element approach is presented for the modeling of rotorcraft undergoing elastic deformation in addition to large rigid body motion with respect to inertial space, with particular attention given to the coupling of the rotor and fuselage subsystems subject to large relative rotations. The component synthesis technique used here allows the coupling of rotors to the fuselage for different rotorcraft configurations. The formulation is general and applicable to any rotorcraft vibration, aeroelasticity, and dynamics problem.

  3. Simulating the dynamic behavior of chain drive systems by advanced CAE programs

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

    Ross, J.; Meyer, J.

    1996-09-01

    Due to the increased requirements for chain drive systems of 4-stroke internal combustion engines CAE-tools are necessary to design the optimum dynamic system. In comparison to models used din the past the advantage of the new model CDD (Chain Drive Dynamics) is the capability of simulating the trajectory of each chain link around the drive system. Each chain link is represented by a mass with two degrees of freedom and is coupled to the next by a spring-damper element. The drive sprocket can be moved with a constant or non-constant speed. As in reality the other sprockets are driven bymore » the running chain and can be excited by torques. Due to these unique model features it is possible to calculate all vibration types of the chain, polygon effects and radial or angular vibrations of the sprockets very accurately. The model includes the detailed simulation of a mechanical or a hydraulic tensioner as well. The method is ready to be coupled to other detailed calculation models (e.g. valve train systems, crankshaft, etc.). The high efficiency of the tool predicting the dynamic and acoustic behavior of a chain drive system will be demonstrated in comparison to measurements.« less

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

    NASA Technical Reports Server (NTRS)

    Bielawa, R. L.

    1984-01-01

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

  5. Adiabatic and coupled channels calculations for near barrier fusion of 16O +238U using realistic nucleon-nucleon interaction

    NASA Astrophysics Data System (ADS)

    Ismail, M.; Seif, W. M.; Botros, M. M.

    2016-04-01

    We investigate the fusion cross-section and the fusion barrier distribution of 16O +238U at near- and sub-barrier energies. We use an interaction potential generated by the semi-microscopic double folding model-based on density dependent (DD) form of the realistic Michigan-three-Yukawa (M3Y) Reid nucleon-nucleon (NN) interaction. We studied the role of both the static and dynamic deformations of the target nucleus on the fusion process. Rotational and vibrational degrees of freedom of 238U-nucleus are considered. We found that the deformation and the octupole vibrations in 238U enhance its sub-barrier fusion cross-section. The signature of the the octupole vibrational modes of 238U appears clearly in its fusion barrier distribution profile.

  6. Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems.

    PubMed

    Li, Guangqi; Govind, Niranjan; Ratner, Mark A; Cramer, Christopher J; Gagliardi, Laura

    2015-12-17

    The mechanism of charge transfer has been observed to change from tunneling to hopping with increasing numbers of DNA base pairs in polynucleotides and with the length of molecular wires. The aim of this paper is to investigate this transition by examining the population dynamics using a tight-binding Hamiltonian with model parameters to describe a linear donor-bridge-acceptor (D-B-A) system. The model includes a primary vibration and an electron-vibration coupling at each site. A further coupling of the primary vibration with a secondary phonon bath allows the system to dissipate energy to the environment and reach a steady state. We apply the quantum master equation (QME) approach, based on second-order perturbation theory in a quantum dissipative system, to examine the dynamical processes involved in charge-transfer and follow the population transfer rate at the acceptor, ka, to shed light on the transition from tunneling to hopping. With a small tunneling parameter, V, the on-site population tends to localize and form polarons, and the hopping mechanism dominates the transfer process. With increasing V, the population tends to be delocalized and the tunneling mechanism dominates. The competition between incoherent hopping and coherent tunneling governs the mechanism of charge transfer. By varying V and the total number of sites, we also examine the onset of the transition from tunneling to hopping with increasing length.

  7. Active control of structures using macro-fiber composite (MFC)

    NASA Astrophysics Data System (ADS)

    Kovalovs, A.; Barkanov, E.; Gluhihs, S.

    2007-12-01

    This paper presents the use of macro-fiber composites (MFC) for vibration reduces of structures. The MFC consist of polyimid films with IDE-electrodes that are glued on the top and the bottom of rectangular piezoceramic fibers. The interdigitated electrodes deliver the electric field required to activate the piezoelectric effect in the fibers and allows to invoke the stronger longitudinal piezoelectric effect along the length of the fibers. When this actuator embedded in a surface or attached to flexible structures, the MFC actuator provides distributed solid-state deflection and vibration control. The major advantages of the piezoelectric fibre composite actuators are their high performance, flexibility, and durability when compared with the traditional piezoceramic (PZT) actuators. In addition, the ability of MFC devices to couple the electrical and mechanical fields is larger than in monolithic PZT. In this study, we showed the experimental results that an MFC could be used as actuator to find modal parameters and reduce vibration for structures such as an aluminium beam and metal music plate. Two MFC actuators were attached to the surfaces of test subjects. First MFC actuator used to supply a signal as exciter of vibration and second MFC show his application for reduction of vibration in the range of resonance frequencies. Experimental results of aluminium beam with MFC actuators compared with finite element model which modelled in ANSYS software. The applied voltage is modelled as a thermal load according to thermal analogy for MFC. The experimental and numerical results presented in this paper confirm the potential of MFC for use in the vibration control of structures.

  8. Sound radiation from a water-filled pipe, radiation into light fluid.

    PubMed

    Liu, Bilong; Pan, Jie; Li, Xiaodong; Tian, Jing

    2002-12-01

    This paper is concerned with the sound radiation from a water-filled exhaust pipe. The pipe opening and a plate attached to it form a vibrating surface for this radiation. Fluid-structural coupling between the pipe and enclosed fluid is included in the system modeling, but light fluid assumption is used for sound radiation into the space above the vibrating surface. In this paper, a numerical study on the n = 0 mode in the pipe shows that the wave types associated with this mode have different characteristics in two regions of the nondimensional frequency omega. In the first region of 0

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

    PubMed

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

    2004-09-08

    Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR + visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed. Copyright 2004 American Institute of Physics

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

    NASA Astrophysics Data System (ADS)

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

    2004-09-01

    Interaction of CO adsorbed on Pt(111) with electrons and phonons is studied experimentally by means of a pump-probe experiment where CO is probed by IR+visible sum frequency generation under a pump laser intensity that allows photodesorption. Vibrational spectra of CO internal stretch are obtained as a function of pump-probe delay. A two-temperature and anharmonic coupling model is used to extract from the spectra the real time variations of CO peak frequency and dephasing time. The main conclusions are the following: (i) The CO stretch is perturbed by two low-frequency modes, assigned to frustrated rotation and frustrated translation. (ii) The frustrated rotation is directly coupled to electrons photoexcited in Pt(111) by the pump laser. (iii) There is no evidence of Pt-CO stretch excitation in the spectra. The implications for the photodesorption dynamics are discussed.

  11. Investigating vibrational relaxation in cyanide-bridged transition metal mixed-valence complexes using two-dimensional infrared and infrared pump-probe spectroscopies

    PubMed Central

    Slenkamp, Karla M.; Lynch, Michael S.; Brookes, Jennifer F.; Bannan, Caitlin C.; Daifuku, Stephanie L.; Khalil, Munira

    2016-01-01

    Using polarization-selective two-dimensional infrared (2D IR) and infrared pump-probe spectroscopies, we study vibrational relaxation of the four cyanide stretching (νCN) vibrations found in [(NH3)5RuIIINCFeII(CN)5]− (FeRu) dissolved in D2O or formamide and [(NC)5FeIICNPtIV(NH3)4NCFeII(CN)5]4− (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as models for understanding the role high frequency vibrational modes play in metal-to-metal charge transfers over a bridging ligand. However, there is currently little information about vibrational relaxation and dephasing dynamics of the anharmonically coupled νCN modes in the electronic ground state of these complexes. IR pump-probe experiments reveal that the vibrational lifetimes of the νCN modes are ∼2 times faster when FeRu is dissolved in D2O versus formamide. They also reveal that the vibrational lifetimes of the νCN modes of FePtFe in D2O are almost four times as long as for FeRu in D2O. Combined with mode-specific relaxation dynamics measured from the 2D IR experiments, the IR pump-probe experiments also reveal that intramolecular vibrational relaxation is occurring in all three systems on ∼1 ps timescale. Center line slope dynamics, which have been shown to be a measure of the frequency-frequency correlation function, reveal that the radial, axial, and trans νCN modes exhibit a ∼3 ps timescale for frequency fluctuations. This timescale is attributed to the forming and breaking of hydrogen bonds between each mode and the solvent. The results presented here along with our previous work on FeRu and FePtFe reveal a picture of coupled anharmonic νCN modes where the spectral diffusion and vibrational relaxation dynamics depend on the spatial localization of the mode on the molecular complex and its specific interaction with the solvent. PMID:27158634

  12. Investigating vibrational relaxation in cyanide-bridged transition metal mixed-valence complexes using two-dimensional infrared and infrared pump-probe spectroscopies.

    PubMed

    Slenkamp, Karla M; Lynch, Michael S; Brookes, Jennifer F; Bannan, Caitlin C; Daifuku, Stephanie L; Khalil, Munira

    2016-03-01

    Using polarization-selective two-dimensional infrared (2D IR) and infrared pump-probe spectroscopies, we study vibrational relaxation of the four cyanide stretching (νCN) vibrations found in [(NH3)5Ru(III)NCFe(II)(CN)5](-) (FeRu) dissolved in D2O or formamide and [(NC)5Fe(II)CNPt(IV)(NH3)4NCFe(II)(CN)5](4-) (FePtFe) dissolved in D2O. These cyanide-bridged transition metal complexes serve as models for understanding the role high frequency vibrational modes play in metal-to-metal charge transfers over a bridging ligand. However, there is currently little information about vibrational relaxation and dephasing dynamics of the anharmonically coupled νCN modes in the electronic ground state of these complexes. IR pump-probe experiments reveal that the vibrational lifetimes of the νCN modes are ∼2 times faster when FeRu is dissolved in D2O versus formamide. They also reveal that the vibrational lifetimes of the νCN modes of FePtFe in D2O are almost four times as long as for FeRu in D2O. Combined with mode-specific relaxation dynamics measured from the 2D IR experiments, the IR pump-probe experiments also reveal that intramolecular vibrational relaxation is occurring in all three systems on ∼1 ps timescale. Center line slope dynamics, which have been shown to be a measure of the frequency-frequency correlation function, reveal that the radial, axial, and trans νCN modes exhibit a ∼3 ps timescale for frequency fluctuations. This timescale is attributed to the forming and breaking of hydrogen bonds between each mode and the solvent. The results presented here along with our previous work on FeRu and FePtFe reveal a picture of coupled anharmonic νCN modes where the spectral diffusion and vibrational relaxation dynamics depend on the spatial localization of the mode on the molecular complex and its specific interaction with the solvent.

  13. Control of π-Electron Rotations in Chiral Aromatic Molecules Using Intense Laser Pulses

    NASA Astrophysics Data System (ADS)

    Kanno, Manabu; Kono, Hirohiko; Fujimura, Yuichi

    Our recent theoretical studies on laser-induced π-electron rotations in chiral aromatic molecules are reviewed. π electrons of a chiral aromatic molecule can be rotated along its aromatic ring by a nonhelical, linearly polarized laser pulse. An ansa aromatic molecule with a six-membered ring, 2,5-dichloro[n](3,6) pyrazinophane, which belongs to a planar-chiral molecule group, and its simplified molecule 2,5-dichloropyrazine are taken as model molecules. Electron wavepacket simulations in the frozen-molecular-vibration approximation show that the initial direction of π-electron rotation depends on the polarization direction of a linearly polarized laser pulse applied. Consecutive unidirectional rotation can be achieved by applying a sequence of linearly polarized pump and dump pulses to prevent reverse rotation. Optimal control simulations of π-electron rotation show that another controlling factor for unidirectional rotation is the relative optical phase between the different frequency components of an incident pulse in addition to photon polarization direction. Effects of nonadiabatic coupling between π-electron rotation and molecular vibrations are also presented, where the constraints of the frozen approximation are removed. The angular momentum gradually decays mainly owing to nonadiabatic coupling, while the vibrational amplitudes greatly depend on their rotation direction. This suggests that the direction of π-electron rotation on an attosecond timescale can be identified by detecting femtosecond molecular vibrations.

  14. Aeroelastic Computations of a Compressor Stage Using the Harmonic Balance Method

    NASA Technical Reports Server (NTRS)

    Reddy, T. S. R.

    2010-01-01

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

  15. Terahertz spectroscopy and solid-state density functional theory calculation of anthracene: Effect of dispersion force on the vibrational modes

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

    Zhang, Feng; Tominaga, Keisuke, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp; Hayashi, Michitoshi, E-mail: atmyh@ntu.edu.tw, E-mail: tominaga@kobe-u.ca.jp, E-mail: junichi.nishizawa@hanken.jp

    2014-05-07

    The phonon modes of molecular crystals in the terahertz frequency region often feature delicately coupled inter- and intra-molecular vibrations. Recent advances in density functional theory such as DFT-D{sup *} have enabled accurate frequency calculation. However, the nature of normal modes has not been quantitatively discussed against experimental criteria such as isotope shift (IS) and correlation field splitting (CFS). Here, we report an analytical mode-decoupling method that allows for the decomposition of a normal mode of interest into intermolecular translation, libration, and intramolecular vibrational motions. We show an application of this method using the crystalline anthracene system as an example. Themore » relationship between the experimentally obtained IS and the IS obtained by PBE-D{sup *} simulation indicates that two distinctive regions exist. Region I is associated with a pure intermolecular translation, whereas region II features coupled intramolecular vibrations that are further coupled by a weak intermolecular translation. We find that the PBE-D{sup *} data show excellent agreement with the experimental data in terms of IS and CFS in region II; however, PBE-D{sup *} produces significant deviations in IS in region I where strong coupling between inter- and intra-molecular vibrations contributes to normal modes. The result of this analysis is expected to facilitate future improvement of DFT-D{sup *}.« less

  16. Electro-Acoustic Behavior of the Mitotic Spindle: A Semi-Classical Coarse-Grained Model

    PubMed Central

    Havelka, Daniel; Kučera, Ondřej; Deriu, Marco A.; Cifra, Michal

    2014-01-01

    The regulation of chromosome separation during mitosis is not fully understood yet. Microtubules forming mitotic spindles are targets of treatment strategies which are aimed at (i) the triggering of the apoptosis or (ii) the interruption of uncontrolled cell division. Despite these facts, only few physical models relating to the dynamics of mitotic spindles exist up to now. In this paper, we present the first electromechanical model which enables calculation of the electromagnetic field coupled to acoustic vibrations of the mitotic spindle. This electromagnetic field originates from the electrical polarity of microtubules which form the mitotic spindle. The model is based on the approximation of resonantly vibrating microtubules by a network of oscillating electric dipoles. Our computational results predict the existence of a rapidly changing electric field which is generated by either driven or endogenous vibrations of the mitotic spindle. For certain values of parameters, the intensity of the electric field and its gradient reach values which may exert a not-inconsiderable force on chromosomes which are aligned in the spindle midzone. Our model may describe possible mechanisms of the effects of ultra-short electrical and mechanical pulses on dividing cells—a strategy used in novel methods for cancer treatment. PMID:24497952

  17. Similarity-transformed equation-of-motion vibrational coupled-cluster theory.

    PubMed

    Faucheaux, Jacob A; Nooijen, Marcel; Hirata, So

    2018-02-07

    A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

  18. Similarity-transformed equation-of-motion vibrational coupled-cluster theory

    NASA Astrophysics Data System (ADS)

    Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

    2018-02-01

    A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

  19. Quantitative validation of an air-coupled ultrasonic probe model by Interferometric laser tomography

    NASA Astrophysics Data System (ADS)

    Revel, G. M.; Pandarese, G.; Cavuto, A.

    2012-06-01

    The present paper describes the quantitative validation of a finite element (FE) model of the ultrasound beam generated by an air coupled non-contact ultrasound transducer. The model boundary conditions are given by vibration velocities measured by laser vibrometry on the probe membrane. The proposed validation method is based on the comparison between the simulated 3D pressure field and the pressure data measured with interferometric laser tomography technique. The model details and the experimental techniques are described in paper. The analysis of results shows the effectiveness of the proposed approach and the possibility to quantitatively assess and predict the generated acoustic pressure field, with maximum discrepancies in the order of 20% due to uncertainty effects. This step is important for determining in complex problems the real applicability of air-coupled probes and for the simulation of the whole inspection procedure, also when the component is designed, so as to virtually verify its inspectability.

  20. Principle research on a single mass piezoelectric six-degrees-of-freedom accelerometer.

    PubMed

    Liu, Jun; Li, Min; Qin, Lan; Liu, Jingcheng

    2013-08-16

    A signal mass piezoelectric six-degrees-of-freedom (six-DOF) accelerometer is put forward in response to the need for health monitoring of the dynamic vibration characteristics of high grade digitally controlled machine tools. The operating principle of the piezoelectric six-degrees-of-freedom accelerometer is analyzed, and its structure model is constructed. The numerical simulation model (finite element model) of the six axis accelerometer is established. Piezoelectric quartz is chosen for the acceleration sensing element and conversion element, and its static sensitivity, static coupling interference and dynamic natural frequency, dynamic cross coupling are analyzed by ANSYS software. Research results show that the piezoelectric six-DOF accelerometer has advantages of simple and rational structure, correct sensing principle and mathematic model, good linearity, high rigidity, and theoretical natural frequency is more than 25 kHz, no nonlinear cross coupling and no complex decoupling work.

  1. Principle Research on a Single Mass Piezoelectric Six-Degrees-of-Freedom Accelerometer

    PubMed Central

    Liu, Jun; Li, Min; Qin, Lan; Liu, Jingcheng

    2013-01-01

    A signal mass piezoelectric six-degrees-of-freedom (six-DOF) accelerometer is put forward in response to the need for health monitoring of the dynamic vibration characteristics of high grade digitally controlled machine tools. The operating principle of the piezoelectric six-degrees-of-freedom accelerometer is analyzed, and its structure model is constructed. The numerical simulation model (finite element model) of the six axis accelerometer is established. Piezoelectric quartz is chosen for the acceleration sensing element and conversion element, and its static sensitivity, static coupling interference and dynamic natural frequency, dynamic cross coupling are analyzed by ANSYS software. Research results show that the piezoelectric six-DOF accelerometer has advantages of simple and rational structure, correct sensing principle and mathematic model, good linearity, high rigidity, and theoretical natural frequency is more than 25 kHz, no nonlinear cross coupling and no complex decoupling work. PMID:23959243

  2. Vibrational Mode-Specific Autodetachment and Coupling of CH2CN-

    NASA Astrophysics Data System (ADS)

    Lyle, Justin; Mabbs, Richard

    2017-06-01

    The Cyanomethyl Anion, CH_{2}CN-, and neutral radical have been studied extensively, with several findings of autodetachment about the totally symmetric transition, as well as high resolution experiments revealing symmetrically forbidden and weak vibrational features. We report photoelectron spectra using the Velocity-Mapped Imaging Technique in 1-2 \\wn increments over a range of 13460 to 15384 \\wn that has not been previously examined. These spectra include excitation of the ground state cyanomethyl anion into the direct detachment thresholds of previously reported vibrational modes for the neutral radical. Significant variations from Franck-Condon behavior were observed in the branching ratios for resolved vibrational features for excitation in the vicinity of the thresholds involving the νb{3} and νb{5} modes. These are consistent with autodetachment from rovibrational levels of a dipole bound state acting as a resonance in the detachment continuum. The autodetachment channels involve single changes in vibrational quantum number, consistent with the vibrational propensity rule but in some cases reveal relaxation to a different vibrational mode indicating coupling between the modes and/or a breakdown of the normal mode approximation.

  3. Investigation of Noise and Vibration in Tires Through Analytical Modeling, Tests and Simulations

    NASA Astrophysics Data System (ADS)

    Cao, Rui

    Tire noise and vibration is an interesting topic, with more and more people paying attention to this issue. Tire noise can both propagate into the vehicle interior and radiate directly toward the immediate environment. Tire noise is not only related to vehicle passengers' comfort but also affects the residential or working area near highways, especially in high population density regions. The emerging electric vehicles also emphasize tires' role in vehicle Noise Vibration and Harshness (NVH) since power-train noises are significantly reduced. The study in this research focuses on the noise and vibration of tires from the low to high frequency range, typically from 60 kHz to 2 kHz. From the analytical point of view, forced vibration of a fully coupled 2D structural-acoustical model is presented and a 3D structural model is also investigated for various input conditions. Both circumferential and cross-sectional shearing motions in the analytical tire models can be observed. Static tire surface mobilities were also measured to verify the findings from the developed models. On the experimental side, the loading effect on tire noise radiation was studied, where applied loads ranged from 500 lbs to 1300 lbs. Results indicate that sound radiation is usually proportional to the loading, except between 1.1 kHz to 1.7 kHz where the load-noise relation is reversed. In addition, tire noise generated by road surface discontinuities was also studied experimentally. As expected, a broadband increase of the noise spectrum can be observed below 1 kHz compared to the noise on a continuous surface. However, the difference tends to diminish above 1 kHz except in a certain narrow frequency band depending on the particular tire tested. High frequency waves and motions in tire cross-sectional directions were identified as occurring in the frequency range of interest. A two-dimensional cross-sectional analytical tire model was proposed for further investigations, in order to verify the relation among high frequency tire noise properties and the fast propagating waves and cross-sectional motions in tires. Finally, a fully coupled finite element tire-wheel model was developed to simulate the tire deformation under static vertical loading and to explore the influence of various excitation forces. The forces or accelerations, depending on the boundary conditions, at the wheel center can be calculated from the tire model up to 500 Hz. The results can be potentially used as input for vehicle full body simulations, thus accelerating the optimization process of new product development.

  4. Effects of coupling between the vibrational modes on CARS signal

    NASA Astrophysics Data System (ADS)

    Patel, Vishesha; Malinovskaya, Svetlana

    2007-06-01

    CARS is well suited spectroscopy method for imaging specific molecules, e.g., proteins and live cells, diagnosis of cancerous cells, imaging dueterated compounds, etc. CARS imaging techniques avoid problems associated with photo bleaching and photo induced toxicity. The CARS signal is accompanied by a strong non resonant background which may overshadow the weak signal of interest. Two methods, using femtosecond chriped laser pulses and providing the Rabi oscillation and the adiabatic passage type of control [1], allow one to achieve sensitivity with high resolution and are known to efficiently suppress background. It has been previously shown that coupling between vibrational modes affects the sensitivity of the Raman signal and selective excitation of vibrational modes [2]. In this paper we will discuss simulation results on vibrational coupling between modes and its impact into control mechanisms of the CARS signal. [1] S.A.Malinovskaya, Physical.Rev.A 73, 033416(2006) [2] S.A. Malinovskaya,P.H. Bucksbaum, and P.R. Berman, J. Chem. Phys. 121, 3434 (2004).

  5. Coupling of Large Amplitude Inversion with Other States

    NASA Astrophysics Data System (ADS)

    Pearson, John; Yu, Shanshan

    2016-06-01

    The coupling of a large amplitude motion with a small amplitude vibration remains one of the least well characterized problems in molecular physics. Molecular inversion poses a few unique and not intuitively obvious challenges to the large amplitude motion problem. In spite of several decades of theoretical work numerous challenges in calculation of transition frequencies and more importantly intensities persist. The most challenging aspect of this problem is that the inversion coordinate is a unique function of the overall vibrational state including both the large and small amplitude modes. As a result, the r-axis system and the meaning of the K-quantum number in the rotational basis set are unique to each vibrational state of large or small amplitude motion. This unfortunate reality has profound consequences to calculation of intensities and the coupling of nearly degenerate vibrational states. The case of NH3 inversion and inversion through a plane of symmetry in alcohols will be examined to find a general path forward.

  6. Quantum statistics of Raman scattering model with Stokes mode generation

    NASA Technical Reports Server (NTRS)

    Tanatar, Bilal; Shumovsky, Alexander S.

    1994-01-01

    The model describing three coupled quantum oscillators with decay of Rayleigh mode into the Stokes and vibration (phonon) modes is examined. Due to the Manley-Rowe relations the problem of exact eigenvalues and eigenstates is reduced to the calculation of new orthogonal polynomials defined both by the difference and differential equations. The quantum statistical properties are examined in the case when initially: the Stokes mode is in the vacuum state; the Rayleigh mode is in the number state; and the vibration mode is in the number of or squeezed states. The collapses and revivals are obtained for different initial conditions as well as the change in time the sub-Poisson distribution by the super-Poisson distribution and vice versa.

  7. Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

    PubMed

    Hithell, Gordon; Shaw, Daniel J; Donaldson, Paul M; Greetham, Gregory M; Towrie, Michael; Burley, Glenn A; Parker, Anthony W; Hunt, Neil T

    2016-05-05

    Ultrafast two-dimensional infrared (2D-IR) spectroscopy of a 15-mer A-T DNA duplex in solution has revealed structure-dependent vibrational coupling and energy transfer processes linking bases with the sugar-phosphate backbone. Duplex melting induces significant changes in the positions of off-diagonal peaks linking carbonyl and ring-stretching vibrational modes of the adenine and thymine bases with vibrations of the phosphate group and phosphodiester linkage. These indicate that Watson-Crick hydrogen bonding and helix formation lead to a unique vibrational coupling arrangement of base vibrational modes with those of the phosphate unit. On the basis of observations from time-resolved 2D-IR data, we conclude that rapid energy transfer processes occur between base and backbone, mediated by additional modes located on the deoxyribose moiety within the same nucleotide. These relaxation dynamics are insensitive to duplex melting, showing that efficient intramolecular energy relaxation to the solvent via the phosphate groups is the key to excess energy dissipation in both single- and double-stranded DNA.

  8. Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates

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

    Cheng, Xiaolu; Steele, Ryan P., E-mail: ryan.steele@utah.edu

    This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behavedmore » spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.« less

  9. A coupled sharp-interface immersed boundary-finite-element method for flow-structure interaction with application to human phonation.

    PubMed

    Zheng, X; Xue, Q; Mittal, R; Beilamowicz, S

    2010-11-01

    A new flow-structure interaction method is presented, which couples a sharp-interface immersed boundary method flow solver with a finite-element method based solid dynamics solver. The coupled method provides robust and high-fidelity solution for complex flow-structure interaction (FSI) problems such as those involving three-dimensional flow and viscoelastic solids. The FSI solver is used to simulate flow-induced vibrations of the vocal folds during phonation. Both two- and three-dimensional models have been examined and qualitative, as well as quantitative comparisons, have been made with established results in order to validate the solver. The solver is used to study the onset of phonation in a two-dimensional laryngeal model and the dynamics of the glottal jet in a three-dimensional model and results from these studies are also presented.

  10. On the Coupling Between a Supersonic Turbulent Boundary Layer and a Flexible Structure

    NASA Technical Reports Server (NTRS)

    Frendi, Abdelkader

    1996-01-01

    A mathematical model and a computer code have been developed to fully couple the vibration of an aircraft fuselage panel to the surrounding flow field, turbulent boundary layer and acoustic fluid. The turbulent boundary layer model is derived using a triple decomposition of the flow variables and applying a conditional averaging to the resulting equations. Linearized panel and acoustic equations are used. Results from this model are in good agreement with existing experimental and numerical data. It is shown that in the supersonic regime, full coupling of the flexible panel leads to lower response and radiation from the panel. This is believed to be due to an increase in acoustic damping on the panel in this regime. Increasing the Mach number increases the acoustic damping, which is in agreement with earlier work.

  11. Analytical and experimental vibration analysis of a faulty gear system

    NASA Astrophysics Data System (ADS)

    Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

    1994-10-01

    A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structures. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville Distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

  12. Analytical and experimental vibration analysis of a faulty gear system

    NASA Astrophysics Data System (ADS)

    Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

    1994-10-01

    A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structure. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

  13. Analytical and Experimental Vibration Analysis of a Faulty Gear System

    NASA Technical Reports Server (NTRS)

    Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

    1994-01-01

    A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structure. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

  14. REVIEWS OF TOPICAL PROBLEMS Electron-vibration interaction in tunneling processes through single molecules

    NASA Astrophysics Data System (ADS)

    Arseev, Petr I.; Maslova, N. S.

    2011-02-01

    It is shown how effective Hamiltonians are constructed in the framework of the adiabatic approach to the electron-vibration interaction in electron tunneling through single molecules. Methods for calculating tunneling characteristics are discussed and possible features resulting from the electron-vibration coupling are described. The intensity of vibrations excited by a tunneling current in various systems is examined.

  15. Two-Time Scale Virtual Sensor Design for Vibration Observation of a Translational Flexible-Link Manipulator Based on Singular Perturbation and Differential Games

    PubMed Central

    Ju, Jinyong; Li, Wei; Wang, Yuqiao; Fan, Mengbao; Yang, Xuefeng

    2016-01-01

    Effective feedback control requires all state variable information of the system. However, in the translational flexible-link manipulator (TFM) system, it is unrealistic to measure the vibration signals and their time derivative of any points of the TFM by infinite sensors. With the rigid-flexible coupling between the global motion of the rigid base and the elastic vibration of the flexible-link manipulator considered, a two-time scale virtual sensor, which includes the speed observer and the vibration observer, is designed to achieve the estimation for the vibration signals and their time derivative of the TFM, as well as the speed observer and the vibration observer are separately designed for the slow and fast subsystems, which are decomposed from the dynamic model of the TFM by the singular perturbation. Additionally, based on the linear-quadratic differential games, the observer gains of the two-time scale virtual sensor are optimized, which aims to minimize the estimation error while keeping the observer stable. Finally, the numerical calculation and experiment verify the efficiency of the designed two-time scale virtual sensor. PMID:27801840

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

    NASA Technical Reports Server (NTRS)

    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.

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

    PubMed

    Finneran, James J; Hastings, Mardi C

    2004-06-01

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

  18. Dynamic characteristics of the rotor in a magnetically suspended control moment gyroscope with active magnetic bearing and passive magnetic bearing.

    PubMed

    Tang, Jiqiang; Xiang, Biao; Zhang, Yongbin

    2014-07-01

    For a magnetically suspended control moment gyroscope, stiffness and damping of magnetic bearing will influence modal frequency of a rotor. In this paper the relationship between modal frequency and stiffness and damping has been investigated. The mathematic calculation model of axial passive magnetic bearing (PMB) stiffness is developed. And PID control based on internal model control is introduced into control of radial active magnetic bearing (AMB), considering the radial coupling of axial PMB, a mathematic calculation model of stiffness and damping of radial AMB is established. According to modal analysis, the relationship between modal frequency and modal shapes is achieved. Radial vibration frequency is mainly influenced by stiffness of radial AMB; however, when stiffness increases, radial vibration will disappear and a high frequency bending modal will appear. Stiffness of axial PMB mainly affects the axial vibration mode, which will turn into high-order bending modal. Axial PMB causes bigger influence on torsion modal of the rotor. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

  19. Factors Controlling Superelastic Damping Capacity of SMAs

    NASA Astrophysics Data System (ADS)

    Heller, L.; Šittner, P.; Pilch, J.; Landa, M.

    2009-08-01

    In this paper, questions linked to the practical use of superelastic damping exploiting stress-induced martensitic transformation for vibration damping are addressed. Four parameters, particularly vibration amplitude, prestrain, temperature of surroundings, and frequency, are identified as having the most pronounced influence on the superelastic damping. Their influence on superelastic damping of a commercially available superelastic NiTi wire was experimentally investigated using a self-developed dedicated vibrational equipment. Experimental results show how the vibration amplitude, frequency, prestrain, and temperature affect the capacity of a superelastic NiTi wire to dissipate energy of vibrations through the superelastic damping. A special attention is paid to the frequency dependence (i.e., rate dependence) of the superelastic damping. It is shown that this is nearly negligible in case the wire is in the thermal chamber controlling actively the environmental temperature. In case of wire exposed to free environmental temperature in actual damping applications, however, the superelastic damping capacity significantly decreases with increasing frequency. This was explained to be a combined effect of the heat effects affecting the mean wire temperature and material properties with the help of simulations using the heat equation coupled phenomenological SMA model.

  20. Ultrafast dynamics of vibrational symmetry breaking in a charge-ordered nickelate

    PubMed Central

    Coslovich, Giacomo; Kemper, Alexander F.; Behl, Sascha; Huber, Bernhard; Bechtel, Hans A.; Sasagawa, Takao; Martin, Michael C.; Lanzara, Alessandra; Kaindl, Robert A.

    2017-01-01

    The ability to probe symmetry-breaking transitions on their natural time scales is one of the key challenges in nonequilibrium physics. Stripe ordering represents an intriguing type of broken symmetry, where complex interactions result in atomic-scale lines of charge and spin density. Although phonon anomalies and periodic distortions attest the importance of electron-phonon coupling in the formation of stripe phases, a direct time-domain view of vibrational symmetry breaking is lacking. We report experiments that track the transient multi-terahertz response of the model stripe compound La1.75Sr0.25NiO4, yielding novel insight into its electronic and structural dynamics following an ultrafast optical quench. We find that although electronic carriers are immediately delocalized, the crystal symmetry remains initially frozen—as witnessed by time-delayed suppression of zone-folded Ni–O bending modes acting as a fingerprint of lattice symmetry. Longitudinal and transverse vibrations react with different speeds, indicating a strong directionality and an important role of polar interactions. The hidden complexity of electronic and structural coupling during stripe melting and formation, captured here within a single terahertz spectrum, opens new paths to understanding symmetry-breaking dynamics in solids. PMID:29202025

  1. Ultrafast dynamics of vibrational symmetry breaking in a charge-ordered nickelate

    DOE PAGES

    Coslovich, Giacomo; Kemper, Alexander F.; Behl, Sascha; ...

    2017-11-24

    The ability to probe symmetry-breaking transitions on their natural time scales is one of the key challenges in nonequilibrium physics. Stripe ordering represents an intriguing type of broken symmetry, where complex interactions result in atomic-scale lines of charge and spin density. Although phonon anomalies and periodic distortions attest the importance of electron-phonon coupling in the formation of stripe phases, a direct time-domain view of vibrational symmetry breaking is lacking. We report experiments that track the transient multi-terahertz response of the model stripe compound La 1.75Sr 0.25NiO 4, yielding novel insight into its electronic and structural dynamics following an ultrafast opticalmore » quench. We find that although electronic carriers are immediately delocalized, the crystal symmetry remains initially frozen—as witnessed by time-delayed suppression of zone-folded Ni–O bending modes acting as a fingerprint of lattice symmetry. Longitudinal and transverse vibrations react with different speeds, indicating a strong directionality and an important role of polar interactions. As a result, the hidden complexity of electronic and structural coupling during stripe melting and formation, captured here within a single terahertz spectrum, opens new paths to understanding symmetry-breaking dynamics in solids.« less

  2. Ultrafast dynamics of vibrational symmetry breaking in a charge-ordered nickelate

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

    Coslovich, Giacomo; Kemper, Alexander F.; Behl, Sascha

    The ability to probe symmetry-breaking transitions on their natural time scales is one of the key challenges in nonequilibrium physics. Stripe ordering represents an intriguing type of broken symmetry, where complex interactions result in atomic-scale lines of charge and spin density. Although phonon anomalies and periodic distortions attest the importance of electron-phonon coupling in the formation of stripe phases, a direct time-domain view of vibrational symmetry breaking is lacking. We report experiments that track the transient multi-terahertz response of the model stripe compound La 1.75Sr 0.25NiO 4, yielding novel insight into its electronic and structural dynamics following an ultrafast opticalmore » quench. We find that although electronic carriers are immediately delocalized, the crystal symmetry remains initially frozen—as witnessed by time-delayed suppression of zone-folded Ni–O bending modes acting as a fingerprint of lattice symmetry. Longitudinal and transverse vibrations react with different speeds, indicating a strong directionality and an important role of polar interactions. As a result, the hidden complexity of electronic and structural coupling during stripe melting and formation, captured here within a single terahertz spectrum, opens new paths to understanding symmetry-breaking dynamics in solids.« less

  3. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

    PubMed

    Sakurai, Atsunori; Tanimura, Yoshitaka

    2011-04-28

    To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the frequency fluctuation is small. Thus, we observed a distinct difference between the classical and quantum mechanically calculated multidimensional spectra in the slow modulation case where spectral diffusion plays a role. This fact indicates that one may not reproduce the experimentally obtained multidimensional spectrum for high-frequency vibrational modes based on classical molecular dynamics simulations if the modulation that arises from surrounding molecules is weak and slow. A practical way to overcome the difference between the classical and quantum simulations was discussed.

  4. Influence of initial stress on the vibration of double-piezoelectric-nanoplate systems with various boundary conditions using DQM

    NASA Astrophysics Data System (ADS)

    Asemi, S. R.; Farajpour, A.; Asemi, H. R.; Mohammadi, M.

    2014-09-01

    In this paper, a nonlocal continuum plate model is developed for the transverse vibration of double-piezoelectric-nanoplate systems (DPNPSs) with initial stress under an external electric voltage. The Pasternak foundation model is employed to take into account the effect of shearing between the two piezoelectric nanoplates in combination with normal behavior of coupling elastic medium. Size effects are taken into consideration using nonlocal continuum mechanics. Hamilton's principle is used to derive the differential equations of motion. The governing equations are solved for various boundary conditions by using the differential quadrature method (DQM). In addition, exact solutions are presented for the natural frequencies and critical electric voltages of DPNPS under biaxial prestressed conditions in in-phase and out-of-phase vibrational modes. It is shown that the natural frequencies of the DPNPS are quite sensitive to both nonlocal parameter and initial stress. The effects of in-plane preload and small scale are very important in the resonance mode of smart nanostructures using piezoelectric nanoplates.

  5. Resonance ultrasonic diagnostics of defects in full-size silicon wafers

    NASA Astrophysics Data System (ADS)

    Belyaev, A.; Ostapenko, S.

    2001-12-01

    A resonance acoustic effect was observed recently in full-size 200 mm Cz-Si wafers and applied to characterize as-grown and process-induced defects. Ultrasonic vibrations can be excited into wafers using an external ultrasonic transducer and their amplitude is recorded using a scanning air-coupled acoustic probe operated in a non-contact mode. By sweeping driving frequency, f, of the transducer, we observed an amplification of a specific acoustic mode referred to as ‘whistle’. In this paper, we performed theoretical modeling of the whistle which allowed in attributing this mode to resonant flexural vibrations in a thin circular plate. We calculated normal frequencies of the flexural vibrations of a circular plate of radius ρ in the case of the free edge. The model gives an excellent fit to experimental data with regard to whistle spatial distribution. The results of calculation allow the evaluation of resonance acoustic effect in wafers of different geometries employed in the industry.

  6. Vibrational excitation in O2and Cl2inductively-coupled plasmas and DC discharges

    NASA Astrophysics Data System (ADS)

    Booth, Jean-Paul; Marinov, Daniil; Foucher, Mickael; Annusova, Adriana; Guerra, Vasco

    2016-09-01

    Low-energy electrons can interact with molecules via resonances to cause vibrational excitation with large cross-sections. Such processes can absorb significant energy from the plasma electrons, affecting the electron energy distribution and potentially (via vibration-translation (VT) energy transfer) causing substantial gas heating. The presence of vibrationally excited molecules may significant increase the rates of collisional processes, including electron dissociative attachment and electron impact dissociation into neutral atoms. However, the cross-sections of these processes are often poorly known since they are extremely difficult to measure directly, and reliable theoretical calculations are only now appearing for simple diatomic molecules. We have measured the vibrational distributions in discharges in pure O2 and pure Cl2, using high-sensitivity ultra-broadband ultraviolet absorption spectroscopy. In O2 plasmas significant vibrational excitation is observed, up to v'' =18, with a tail temperature of around 8000K. In Cl2 excitation is only observed up to v'' =3, and the distribution appears to be in local equilibrium with the gas translational temperature (up to 1500K). We are developing a detailed self-consistent 0D global model of these systems including vibrational excitation. Work performed in the LABEX Plas@par project, with financial state aid (ANR-11-IDEX-0004-02 and ANR-13-BS09-0019).

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

    NASA Astrophysics Data System (ADS)

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

    2011-11-01

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

  8. Experiments on vibration control of a piezoelectric laminated paraboloidal shell

    NASA Astrophysics Data System (ADS)

    Yue, Honghao; Lu, Yifan; Deng, Zongquan; Tzou, Hornsen

    2017-01-01

    A paraboloidal shell plays a key role in aerospace and optical structural systems applied to large optical reflector, communications antenna, rocket fairing, missile radome, etc. Due to the complexity of analytical procedures, an experimental study of active vibration control of a piezoelectric laminated paraboloidal shell by positive position feedback is carried out. Sixteen PVDF patches are laminated inside and outside of the shell, in which eight of them are used as sensors and eight as actuators to control the vibration of the first two natural modes. Lower natural frequencies and vibration modes of the paraboloidal shell are obtained via the frequency response function analysis by Modal VIEW software. A mathematical model of the control system is formulated by means of parameter identification. The first shell mode is controlled as well as coupled the first and second modes based on the positive position feedback (PPF) algorithm. To minimize the control energy consumption in orbit, an adaptive modal control method is developed in this study by using the PPF in laboratory experiments. The control system collects vibration signals from the piezoelectric sensors to identify location(s) of the largest vibration amplitudes and then select the best two from eight PVDF actuators to apply control forces so that the modal vibration suppression could be accomplished adaptively and effectively.

  9. Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups.

    PubMed

    Tetsassi Feugmo, Conrard Giresse; Liégeois, Vincent; Champagne, Benoît

    2017-11-15

    The first vibrational sum frequency generation (SFG) spectra based on molecular properties calculated at the coupled cluster singles and doubles (CCSD) level of approximation have been simulated for interfacial model alkyl chains, providing benchmark data for comparisons with approximate methods, including density functional theory (DFT). The approach proceeds in three steps. In the first two steps, the molecular spectral properties are determined: the vibrational normal modes and frequencies and then the derivatives of the dipole moment and of the polarizability with respect to the normal coordinates. These derivatives are evaluated with a numerical differentiation approach, of which the accuracy was monitored using Romberg's procedure. Then, in the last step, a three-layer model is employed to evaluate the macroscopic second-order nonlinear optical responses and thereby the simulated SFG spectra of the alkyl interface. Results emphasize the following facts: (i) the dipole and polarizability derivatives calculated at the DFT level with the B3LYP exchange-correlation functional can differ, with respect to CCSD, by as much as ±10 to 20% and ±20 to 50% for the CH 3 and CH 2 vibrations, respectively; (ii) these differences are enhanced when considering the SFG intensities as well as their variations as a function of the experimental configuration (ppp versus ssp) and as a function of the tilt and rotation angles, defining the orientation of the alkyl chain at the interface; (iii) these differences originate from both the vibrational normal coordinates and the Cartesian derivatives of the dipole moment and polarizability; (iv) freezing the successive fragments of the alkyl chain strongly modifies the SFG spectrum and enables highlighting the delocalization effects between the terminal CH 3 group and its neighboring CH 2 units; and finally (v) going from the free chain to the free methyl model, and further to C 3v constraints on leads to large variations of two ratios that are frequently used to probe the molecular orientation at the interface, the (r + r)/r + ratio for both antisymmetric and symmetric CH 3 vibrations and the I ppp /I ssp ratio.

  10. Torsion-wagging tunneling and vibrational states in hydrazine determined from its ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    Łodyga, Wiesław; Makarewicz, Jan

    2012-05-01

    Geometries, anharmonic vibrations, and torsion-wagging (TW) multiplets of hydrazine and its deuterated species are studied using high-level ab initio methods employing the second-order Møller-Plesset perturbation theory (MP2) as well as the coupled cluster singles and doubles model including connected triple corrections, CCSD(T), in conjunction with extended basis sets containing diffuse and core functions. To describe the splitting patterns caused by tunneling in TW states, the 3D potential energy surface (PES) for the large-amplitude TW modes is constructed. Stationary points in the 3D PES, including equivalent local minima and saddle points are characterized. Using this 3D PES, a flexible Hamiltonian is built numerically and then employed to solve the vibrational problem for TW coupled motion. The calculated ground state rav structure is expected to be more reliable than the experimental one that has been determined using a simplified structural model. The calculated fundamental frequencies allowed resolution of the assignment problems discussed earlier in the literature. The determined energy barriers, including the contributions from the small-amplitude vibrations, to the tunneling of the symmetric and antisymmetric wagging mode of 1997 cm-1 and 3454 cm-1, respectively, are in reasonable agreement with the empirical estimates of 2072 cm-1 and 3312 cm-1, respectively [W. Łodyga et al. J. Mol. Spectrosc. 183, 374 (1997), 10.1006/jmsp.1997.7271]. However, the empirical torsion barrier of 934 cm-1 appears to be overestimated. The ab initio calculations yield two torsion barriers: cis and trans of 744 cm-1 and 2706 cm-1, respectively. The multiplets of the excited torsion states are predicted from the refined 3D PES.

  11. Vibration due to non-circularity of a rotating ring having discrete radial supports - With application to thin-walled rotor/magnetic bearing systems

    NASA Astrophysics Data System (ADS)

    Fakkaew, Wichaphon; Cole, Matthew O. T.

    2018-06-01

    This paper investigates the vibration arising in a thin-walled cylindrical rotor subject to small non-circularity and coupled to discrete space-fixed radial bearing supports. A Fourier series description of rotor non-circularity is incorporated within a mathematical model for vibration of a rotating annulus. This model predicts the multi-harmonic excitation of the rotor wall due to bearing interactions. For each non-circularity harmonic there is a set of distinct critical speeds at which resonance can potentially arise due to flexural mode excitation within the rotor wall. It is shown that whether each potential resonance occurs depends on the multiplicity and symmetry of the bearing supports. Also, a sufficient number of evenly spaced identical supports will eliminate low order resonances. The considered problem is pertinent to the design and operation of thin-walled rotors with active magnetic bearing (AMB) supports, for which small clearances exist between the rotor and bearing and so vibration excitation must be limited to avoid contacts. With this motivation, the mathematical model is further developed for the case of a distributed array of electromagnetic actuators controlled by feedback of measured rotor wall displacements. A case study involving an experimental system with short cylindrical rotor and a single radial AMB support is presented. The results show that flexural mode resonance is largely avoided for the considered design topology. Moreover, numerical predictions based on measured non-circularity show good agreement with measurements of rotor wall vibration, thereby confirming the validity and utility of the theoretical model.

  12. Vibration control of uncertain multiple launch rocket system using radial basis function neural network

    NASA Astrophysics Data System (ADS)

    Li, Bo; Rui, Xiaoting

    2018-01-01

    Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.

  13. Active control of turbulent boundary layer sound transmission into a vehicle interior

    NASA Astrophysics Data System (ADS)

    Caiazzo, A.; Alujević, N.; Pluymers, B.; Desmet, W.

    2016-09-01

    In high speed automotive, aerospace, and railway transportation, the turbulent boundary layer (TBL) is one of the most important sources of interior noise. The stochastic pressure distribution associated with the turbulence is able to excite significantly structural vibration of vehicle exterior panels. They radiate sound into the vehicle through the interior panels. Therefore, the air flow noise becomes very influential when it comes to the noise vibration and harshness assessment of a vehicle, in particular at low frequencies. Normally, passive solutions, such as sound absorbing materials, are used for reducing the TBL-induced noise transmission into a vehicle interior, which generally improve the structure sound isolation performance. These can achieve excellent isolation performance at higher frequencies, but are unable to deal with the low-frequency interior noise components. In this paper, active control of TBL noise transmission through an acoustically coupled double panel system into a rectangular cavity is examined theoretically. The Corcos model of the TBL pressure distribution is used to model the disturbance. The disturbance is rejected by an active vibration isolation unit reacting between the exterior and the interior panels. Significant reductions of the low-frequency vibrations of the interior panel and the sound pressure in the cavity are observed.

  14. Thermodynamic model of a solid with RKKY interaction and magnetoelastic coupling

    NASA Astrophysics Data System (ADS)

    Balcerzak, T.; Szałowski, K.; Jaščur, M.

    2018-04-01

    Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account. The long-range RKKY interaction is considered together with the nearest-neighbour direct exchange. The generalized Gibbs potential and the set of equations of state are derived, from which all thermodynamic functions are self-consistently obtained. Thermodynamic properties are calculated numerically for FCC structure for arbitrary external pressure, magnetic field and temperature, and widely discussed. In particular, for some parameters of interaction potential and electron concentration corresponding to antiferromagnetic phase, the existence of negative thermal expansion coefficient is predicted.

  15. Dynamic Analysis of Geared Rotors by Finite Elements

    NASA Technical Reports Server (NTRS)

    Kahraman, A.; Ozguven, H. Nevzat; Houser, D. R.; Zakrajsek, J. J.

    1992-01-01

    A finite element model of a geared rotor system on flexible bearings has been developed. The model includes the rotary inertia of on shaft elements, the axial loading on shafts, flexibility and damping of bearings, material damping of shafts and the stiffness and the damping of gear mesh. The coupling between the torsional and transverse vibrations of gears were considered in the model. A constant mesh stiffness was assumed. The analysis procedure can be used for forced vibration analysis geared rotors by calculating the critical speeds and determining the response of any point on the shafts to mass unbalances, geometric eccentricities of gears, and displacement transmission error excitation at the mesh point. The dynamic mesh forces due to these excitations can also be calculated. The model has been applied to several systems for the demonstration of its accuracy and for studying the effect of bearing compliances on system dynamics.

  16. Performance analysis of smart laminated composite plate integrated with distributed AFC material undergoing geometrically nonlinear transient vibrations

    NASA Astrophysics Data System (ADS)

    Shivakumar, J.; Ashok, M. H.; Khadakbhavi, Vishwanath; Pujari, Sanjay; Nandurkar, Santosh

    2018-02-01

    The present work focuses on geometrically nonlinear transient analysis of laminated smart composite plates integrated with the patches of Active fiber composites (AFC) using Active constrained layer damping (ACLD) as the distributed actuators. The analysis has been carried out using generalised energy based finite element model. The coupled electromechanical finite element model is derived using Von Karman type nonlinear strain displacement relations and a first-order shear deformation theory (FSDT). Eight-node iso-parametric serendipity elements are used for discretization of the overall plate integrated with AFC patch material. The viscoelastic constrained layer is modelled using GHM method. The numerical results shows the improvement in the active damping characteristics of the laminated composite plates over the passive damping for suppressing the geometrically nonlinear transient vibrations of laminated composite plates with AFC as patch material.

  17. Fatigue failure in metal bellows due to flow-induced vibrations

    NASA Technical Reports Server (NTRS)

    Daniels, C. M.; Fargo, C. G.

    1969-01-01

    To prevent fatigue due to flow-induced vibrations in metal bellows connected to ducts carrying liquid hydrogen, a study was made which shows that the flexure lines are in general a function of the vibration coupling between the fluid and bellows structure, and the nature of the external environment.

  18. Identification of vibrational signatures from short chains of interlinked molecule-nanoparticle junctions obtained by inelastic electron tunnelling spectroscopy.

    PubMed

    Jafri, S H M; Löfås, H; Fransson, J; Blom, T; Grigoriev, A; Wallner, A; Ahuja, R; Ottosson, H; Leifer, K

    2013-06-07

    Short chains containing a series of metal-molecule-nanoparticle nanojunctions are a nano-material system with the potential to give electrical signatures close to those from single molecule experiments while enabling us to build portable devices on a chip. Inelastic electron tunnelling spectroscopy (IETS) measurements provide one of the most characteristic electrical signals of single and few molecules. In interlinked molecule-nanoparticle (NP) chains containing typically 5-7 molecules in a chain, the spectrum is expected to be a superposition of the vibrational signatures of individual molecules. We have established a stable and reproducible molecule-AuNP multi-junction by placing a few 1,8-octanedithiol (ODT) molecules onto a versatile and portable nanoparticle-nanoelectrode platform and measured for the first time vibrational molecular signatures at complex and coupled few-molecule-NP junctions. From quantum transport calculations, we model the IETS spectra and identify vibrational modes as well as the number of molecules contributing to the electron transport in the measured spectra.

  19. Internal resonance and low frequency vibration energy harvesting

    NASA Astrophysics Data System (ADS)

    Yang, Wei; Towfighian, Shahrzad

    2017-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Sun, Xiuting; Jing, Xingjian

    2016-12-01

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

  1. Fully-Coupled Fluid/Structure Vibration Analysis Using MSC/NASTRAN

    NASA Technical Reports Server (NTRS)

    Fernholz, Christian M.; Robinson, Jay H.

    1996-01-01

    MSC/NASTRAN's performance in the solution of fully-coupled fluid/structure problems is evaluated. NASTRAN is used to perform normal modes (SOL 103) and forced-response analyses (SOL 108, 111) on cylindrical and cubic fluid/structure models. Bulk data file cards unique to the specification of a fluid element are discussed and analytic partially-coupled solutions are derived for each type of problem. These solutions are used to evaluate NASTRAN's solutions for accuracy. Appendices to this work include NASTRAN data presented in fringe plot form, FORTRAN source code listings written in support of this work, and NASTRAN data file usage requirements for each analysis.

  2. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.

    PubMed

    Bednarska, Joanna; Zaleśny, Robert; Bartkowiak, Wojciech; Ośmiałowski, Borys; Medved', Miroslav; Jacquemin, Denis

    2017-09-12

    This article aims at a quantitative assessment of the performances of a panel of exchange-correlation functionals, including semilocal (BLYP and PBE), global hybrids (B3LYP, PBE0, M06, BHandHLYP, M06-2X, and M06-HF), and range-separated hybrids (CAM-B3LYP, LC-ωPBE, LC-BLYP, ωB97X, and ωB97X-D), in predicting the vibrationally resolved absorption spectra of BF 2 -carrying compounds. To this end, for 19 difluoroborates as examples, we use, as a metric, the vibrational reorganization energy (λ vib ) that can be determined based on the computationally efficient linear coupling model (a.k.a. vertical gradient method). The reference values of λ vib were determined by employing the CC2 method combined with the cc-pVTZ basis set for a representative subset of molecules. To validate the performances of CC2, comparisons with experimental data have been carried out as well. This study shows that the vibrational reorganization energy, involving Huang-Rhys factors and normal-mode frequencies, can indeed be used to quantify the reliability of functionals in the calculations of the vibrational fine structure of absorption bands, i.e., an accurate prediction of the vibrational reorganization energy leads to absorption band shapes better fitting the selected reference. The CAM-B3LYP, M06-2X, ωB97X-D, ωB97X, and BHandHLYP functionals all deliver vibrational reorganization energies with absolute relative errors smaller than 20% compared to CC2, whereas 10% accuracy can be achieved with the first three functionals. Indeed, the set of examined exchange-correlation functionals can be divided into three groups: (i) BLYP, B3LYP, PBE, PBE0, and M06 yield inaccurate band shapes (λ vib,TDDFT < λ vib,CC2 ), (ii) BHandHLYP, CAM-B3LYP, M06-2X, ωB97X, and ωB97X-D provide accurate band shapes (λ vib,TDDFT ≈ λ vib,CC2 ), and (iii) LC-ωPBE, LC-BLYP, and M06-HF deliver rather poor band topologies (λ vib,TDDFT > λ vib,CC2 ). This study also demonstrates that λ vib can be reliably estimated using the CC2 model and the relatively small cc-pVDZ basis set. Therefore, the linear coupling model combined with the CC2/cc-pVDZ level of theory can be used as a very efficient approach to determine λ vib values that can be used to select the most adequate functional for more accurate vibronic calculations, e.g., including more refined models and environmental effects.

  3. High resolution spectroscopy of 1,2-difluoroethane in a molecular beam: A case study of vibrational mode-coupling

    NASA Astrophysics Data System (ADS)

    Mork, Steven W.; Miller, C. Cameron; Philips, Laura A.

    1992-09-01

    The high resolution infrared spectrum of 1,2-difluoroethane (DFE) in a molecular beam has been obtained over the 2978-2996 cm-1 spectral region. This region corresponds to the symmetric combination of asymmetric C-H stretches in DFE. Observed rotational fine structure indicates that this C-H stretch is undergoing vibrational mode coupling to a single dark mode. The dark mode is split by approximately 19 cm-1 due to tunneling between the two identical gauche conformers. The mechanism of the coupling is largely anharmonic with a minor component of B/C plane Coriolis coupling. Effects of centrifugal distortion along the molecular A-axis are also observed. Analysis of the fine structure identifies the dark state as being composed of C-C torsion, CCF bend, and CH2 rock. Coupling between the C-H stretches and the C-C torsion is of particular interest because DFE has been observed to undergo vibrationally induced isomerization from the gauche to trans conformer upon excitation of the C-H stretch.

  4. Saturated fluorescence measurements of the hydroxyl radical in laminar high-pressure flames

    NASA Technical Reports Server (NTRS)

    Carter, Campbell D.; King, Galen B.; Laurendeau, Normand M.

    1990-01-01

    The efficacy of laser saturated fluorescence (LSF) for OH concentration measurements in high pressure flames was studied theoretically and experimentally. Using a numerical model describing the interaction of hydroxyl with nonuniform laser excitation, the effect of pressure on the validity of the balanced cross-rate model was studied along with the sensitivity of the depopulation of the laser-coupled levels to the ratio of rate coefficients describing: (1) electronic quenching to (sup 2) Sigma (+) (v double prime greater than 0), and (2) vibrational relaxation from v double prime greater than 0 to v double prime = 0. At sufficiently high pressures and near-saturated conditions, the total population of the laser-coupled levels reaches an asymptotic value, which is insensitive to the degree of saturation. When the ratio of electronic quenching to vibrational relaxation is small and the rate of coefficients for rotational transfer in the ground and excited electronic states are nearly the same, the balanced cross-rate model remains a good approximation for all pressures. When the above ratio is large, depopulation of the laser-coupled levels becomes significant at high pressures, and thus the balanced cross-rate model no longer holds. Under these conditions, however, knowledge of the depletion of the laser-coupled levels can be used to correct the model. A combustion facility for operation up to 20 atm was developed to allow LSF measurements of OH in high pressure flames. Using this facility, partial saturation in laminar high pressure (less than or equal to 12.3 atm) C2H6/O2/N2 flames was achieved. To evaluate the limits of the balanced cross-rate model, absorption and calibrated LSF measurements at 3.1 and 6.1 atm were compared. The fluorescence voltages were calibrated with absorption measurements in an atmospheric flame and corrected for their finite sensitivity to quenching with: (1) estimated quenching rate coefficients, and (2) an in situ measurement from a technique employing two fluorescence detection geometries.

  5. Untangling the Herman-infrared spectra of nitrogen atmospheric-pressure dielectric-barrier discharge

    NASA Astrophysics Data System (ADS)

    Čermák, Peter; Annušová, Adriana; Rakovský, Jozef; Martišovitš, Viktor; Veis, Pavel

    2018-05-01

    This study presents the first application of the N2 Herman-infrared (HIR) ro-vibrational model for the metrology of the atmospheric-pressure dielectric-barrier discharge. Our recent findings of suitable conditions for observation of the unperturbed HIR system (Annušová et al Contrib. Plasma Phys. 2017) gave us the opportunity to develop and test a numerical representation of this complex system composed of 75 branches. Commonly, the HIR covers a part of the near infrared spectra (690–850 nm) with its bands mixed with the N2 first positive system (1PS), which hinders applications of these systems for optical metrology of the discharge. In this work, we present a complex ro-vibrational model of the 1PS and HIR systems, which allowed us to untangle their spectra and retrieve the rotational temperature and vibrational populations of the systems for the first time. The latter was achieved by coupling the PGHOPHER simulation package with molecular constants obtained from high-resolution experiments. To test the model, the results and precision were compared to the retrievals based on the models of the NO γ and N2 second positive systems using the LIFBASE and SPECAIR programs, respectively.

  6. Design Optimization of an Electromagnetic Energy Harvester Backpack for Utilization of Human Walking Energy

    NASA Astrophysics Data System (ADS)

    Mullen, Christopher

    Implementation of energy harvesting technology can provide a sustainable, remote power source for soldiers by reducing the battery weight and allowing them to stay in the field for longer periods of time. Among multiple energy conversion principles, electromagnetic induction can scavenge energy from wasted kinematic and vibration energy found from human motion. Hip displacement during human gait acts as a base excitation for an energy harvesting backpack system. The placement of a permanent magnet in this vibration environment results in relative motion of the magnet to the coil of copper wire, which induces an electric current. This current can be saved to a battery or capacitor bank installed on the backpack to be used to power electronic devices. The purpose of this research is to construct a reliable simulation model for an electromagnetic vibration energy harvester and use it for a multi-variable optimization algorithm to identify an optimal coil and magnet layout for highest power output. Key components of the coupled equations of motion such as the magnetic flux density and coil inductance are obtained using ANSYS multi-physics software or by measuring them. These components are fed into a harvester simulation model (e.g. coupled field equations of motion for the backpack harvester) that generates the electrical power output. The developed simulation model is verified with multiple case studies including an experimental test. Then the optimal design parameters in the simulation model (e.g., magnet layout, coil width, outer coil diameter, external load resistance) are identified for maximum power. Results from this study will pave the way for a more efficient energy harvesting backpack while providing better insight into the efficiency of magnet and coil layout for electromagnetic applications.

  7. Experimental verification and optimization of a linear electromagnetic energy harvesting device

    NASA Astrophysics Data System (ADS)

    Mullen, Christopher; Lee, Soobum

    2017-04-01

    Implementation of energy harvesting technology can provide a sustainable, remote power source for soldiers by reducing the battery weight and allowing them to stay in the field for longer periods of time. Among multiple energy conversion principles, electromagnetic induction can scavenge energy from wasted kinematic and vibration energy found from human motion. Hip displacement during human gait acts as a base excitation for an energy harvesting backpack system. The placement of a permanent magnet in this vibration environment results in relative motion of the magnet to the coil of copper wire, which induces an electric current. This current can be saved to a battery or capacitor bank installed on the backpack to be used to power electronic devices. The purpose of this research is to construct a reliable simulation model for an electromagnetic vibration energy harvester and use it for a multi-variable optimization algorithm to identify an optimal coil and magnet layout for highest power output. Key components of the coupled equations of motion such as the magnetic flux density and coil inductance are obtained using ANSYS multi-physics software or by measuring them. These components are fed into a harvester simulation model (e.g. coupled field equations of motion for the backpack harvester) that generates the electrical power output. The developed simulation model is verified with a case study including an experimental test. Then the optimal design parameters in the simulation model (e.g., magnet layout, coil width, outer coil diameter, external load resistance) are identified for maximum power. Results from this study will pave the way for a more efficient energy harvesting backpack while providing better insight into the efficiency of magnet and coil layout for electromagnetic applications.

  8. SEARCH FOR TWO-PHONON OCTUPOLE VIBRATIONAL BANDS IN 88, 89, 92, 93, 94, 96Sr AND 95, 96, 97, 98Zr

    NASA Astrophysics Data System (ADS)

    Hwang, J. K.; Hamilton, J. H.; Ramayya, A. V.; Brewer, N. T.; Wang, E. H.; Luo, Y. X.; Zhu, S. J.

    2012-09-01

    Several new gamma transitions were identified in 94Sr, 93Sr, 92Sr, 96Zr and 97Zr from the spontaneous fission of 252Cf. Excited states in 88, 89, 92, 94, 96Sr and 95, 96, 97, 98Zr were reanalyzed and reorganized to propose the new two-phonon octupole vibrational states and bands. The spin and parity of 6+ are assigned to a 4034.5 keV state in 94Sr and 3576.4 keV state in 98Zr. These states are proposed as the two-phonon octupole vibrational states along with the 6+ states at 3483.4 keV in 96Zr, at 3786.0 keV in 92Sr and 3604.2 keV in 96Sr. The positive parity bands in 88, 94, 96Sr and 96, 98Zr are the first two-phonon octupole vibrational bands based on a 6+ state assigned in spherical nuclei. It is thought that in 94, 96Sr and 96, 98Zr a 3- octupole vibrational phonon is weakly coupled to an one-phonon octupole vibrational band to make the two-phonon octupole vibrational band. Also, the high spin states of odd-A95Zr and 97Zr are interpreted to be generated by the neutron 2d5/2 hole and neutron 1g7/2 particle, respectively, weakly coupled to one- and two-phonon octupole vibrational bands of 96Zr. The high spin states of odd-A87Sr are interpreted to be caused by the neutron 1g9/2 hole weakly coupled to 3- and 5- states of 88Sr. New one- and two-POV bands in 95, 97Zr and 87, 89Sr are proposed, for the first time, in the present work.

  9. Deformation effect in the fast neutron total cross section of aligned /sup 59/Co

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

    Fasoli, U.; Pavan, P.; Toniolo, D.

    1983-05-01

    The variation of the total neutron cross section, ..delta..sigma/sub align/, on /sup 59/Co due to nuclear alignment of the target has been measured over the energy range from 0.8 to 20 MeV employing a cobalt single crystal with a 34% nuclear alignment. The results show that ..delta..sigma/sub align/ oscillates from a minimum of -5% at about 2.5 MeV to a maximum of +1% at about 10 MeV. The data were successfully fitted by optical model coupled-channel calculations. The coupling terms were deduced from a model representing the /sup 59/Co nucleus as a vibrational /sup 60/Ni core coupled to a protonmore » hole in a (1f/sub 7/2/) shell, without free parameters. The optical model parameters were determined by fitting the total cross section, which was independently measured. The theoretical calculations show that, at lower energies, ..delta..sigma/sub align/ depends appreciably on the coupling with the low-lying levels.« less

  10. The development of two Broadband Vibration Energy Harvesters (BVEH) with adaptive conversion electronics

    NASA Astrophysics Data System (ADS)

    Clingman, Dan J.; Thiesen, Jack

    2017-04-01

    Historically, piezoelectric vibration energy harvesters have been limited to operation at a single, structurally resonant frequency. A piezoceramic energy harvester, such as a bimorph beam, operating at structural resonance exchanges energy between dynamic and strain regimes. This energy exchange increases the coupling between piezoceramic deformation and electrical charge generation. Two BVEH mechanisms are presented that exploit strain energy management to reduce inertial forces needed to deform the piezoceramic, thus increasing the coupling between structural and electrical energy conversion over a broadband vibration spectrum. Broadband vibration excitation produces a non-sinusoidal electrical wave form from the BVEH device. An adaptive energy conversion circuit was developed that exploits a buck converter to capture the complex waveform energy in a form easily used by standard electrical components.

  11. Design Models for the Development of Helium-Carbon Sorption Crycoolers

    NASA Technical Reports Server (NTRS)

    Lindensmith, C. A.; Ahart, M.; Bhandari, P.; Wade, L. A.; Paine, C. G.

    2000-01-01

    We have developed models for predicting the performance of helium-based Joule-Thomson continuous-flow cryocoolers using charcoal-pumped sorption compressors. The models take as inputs the number of compressors, desired heat-lift, cold tip temperature, and available precooling temperature and provide design parameters as outputs. Future laboratory development will be used to verify and improve the models. We will present a preliminary design for a two-stage vibration-free cryocooler that is being proposed as part of a mid-infrared camera on NASA's Next Generation Space Telescope. Model predictions show that a 10 mW helium-carbon cryocooler with a base temperature of 5.5 K will reject less than 650 mW at 18 K. The total input power to the helium-carbon stage is 650 mW. These models, which run in MathCad and Microsoft Excel, can be coupled to similar models for hydrogen sorption coolers to give designs for 2-stage vibration-free cryocoolers that provide cooling from approx. 50 K to 4 K.

  12. Design Models for the Development of Helium-Carbon Sorption Cryocoolers

    NASA Technical Reports Server (NTRS)

    Lindensmith, Chris A.; Ahart, M.; Bhandari, P.; Wade, L. A.; Paine, C. G.

    2000-01-01

    We have developed models for predicting the performance of helium-based Joule-Thomson continuous-flow cryocoolers using charcoal-pumped sorption compressors. The models take as inputs the number of compressors, desired heat-lift, cold tip temperature, and available precooling temperature and provide design parameters as outputs. Future laboratory development will be used to verify and improve the models. We will present a preliminary design for a two-stage vibration-free cryocooler that is being proposed as part of a mid-infrared camera on NASA's Next Generation Space Telescope. Model predictions show that a 10 mW helium-carbon cryocooler with a base temperature of 5.5 K will reject less than 650 mW at 18 K. The total input power to the helium-carbon stage is 650 mW. These models, which run in MathCad and Microsoft Excel, can be coupled to similar models for hydrogen sorption coolers to give designs for 2-stage vibration-free cryocoolers that provide cooling from approximately 50 K to 4 K.

  13. Multiple spatially localized dynamical states in friction-excited oscillator chains

    NASA Astrophysics Data System (ADS)

    Papangelo, A.; Hoffmann, N.; Grolet, A.; Stender, M.; Ciavarella, M.

    2018-03-01

    Friction-induced vibrations are known to affect many engineering applications. Here, we study a chain of friction-excited oscillators with nearest neighbor elastic coupling. The excitation is provided by a moving belt which moves at a certain velocity vd while friction is modelled with an exponentially decaying friction law. It is shown that in a certain range of driving velocities, multiple stable spatially localized solutions exist whose dynamical behavior (i.e. regular or irregular) depends on the number of oscillators involved in the vibration. The classical non-repeatability of friction-induced vibration problems can be interpreted in light of those multiple stable dynamical states. These states are found within a "snaking-like" bifurcation pattern. Contrary to the classical Anderson localization phenomenon, here the underlying linear system is perfectly homogeneous and localization is solely triggered by the friction nonlinearity.

  14. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer.

    PubMed

    Tiwari, Vivek; Jonas, David M

    2018-02-28

    Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a purely electronic excitonic coupling model. Energy transfer can leave excess energy behind as vibration on the electronic ground state of the donor, allowing vibrational relaxation on the donor's ground electronic state to make energy transfer permanent by removing excess energy from the excited electronic state of the dimer.

  15. Electronic energy transfer through non-adiabatic vibrational-electronic resonance. II. 1D spectra for a dimer

    NASA Astrophysics Data System (ADS)

    Tiwari, Vivek; Jonas, David M.

    2018-02-01

    Vibrational-electronic resonance in photosynthetic pigment-protein complexes invalidates Förster's adiabatic framework for interpreting spectra and energy transfer, thus complicating determination of how the surrounding protein affects pigment properties. This paper considers the combined effects of vibrational-electronic resonance and inhomogeneous variations in the electronic excitation energies of pigments at different sites on absorption, emission, circular dichroism, and hole-burning spectra for a non-degenerate homodimer. The non-degenerate homodimer has identical pigments in different sites that generate differences in electronic energies, with parameters loosely based on bacteriochlorophyll a pigments in the Fenna-Matthews-Olson antenna protein. To explain the intensity borrowing, the excited state vibrational-electronic eigenvectors are discussed in terms of the vibrational basis localized on the individual pigments, as well as the correlated/anti-correlated vibrational basis delocalized over both pigments. Compared to those in the isolated pigment, vibrational satellites for the correlated vibration have the same frequency and precisely a factor of 2 intensity reduction through vibrational delocalization in both absorption and emission. Vibrational satellites for anti-correlated vibrations have their relaxed emission intensity reduced by over a factor 2 through vibrational and excitonic delocalization. In absorption, anti-correlated vibrational satellites borrow excitonic intensity but can be broadened away by the combination of vibronic resonance and site inhomogeneity; in parallel, their vibronically resonant excitonic partners are also broadened away. These considerations are consistent with photosynthetic antenna hole-burning spectra, where sharp vibrational and excitonic satellites are absent. Vibrational-excitonic resonance barely alters the inhomogeneously broadened linear absorption, emission, and circular dichroism spectra from those for a purely electronic excitonic coupling model. Energy transfer can leave excess energy behind as vibration on the electronic ground state of the donor, allowing vibrational relaxation on the donor's ground electronic state to make energy transfer permanent by removing excess energy from the excited electronic state of the dimer.

  16. The fictitious force method for efficient calculation of vibration from a tunnel embedded in a multi-layered half-space

    NASA Astrophysics Data System (ADS)

    Hussein, M. F. M.; François, S.; Schevenels, M.; Hunt, H. E. M.; Talbot, J. P.; Degrande, G.

    2014-12-01

    This paper presents an extension of the Pipe-in-Pipe (PiP) model for calculating vibrations from underground railways that allows for the incorporation of a multi-layered half-space geometry. The model is based on the assumption that the tunnel displacement is not influenced by the existence of a free surface or ground layers. The displacement at the tunnel-soil interface is calculated using a model of a tunnel embedded in a full space with soil properties corresponding to the soil in contact with the tunnel. Next, a full space model is used to determine the equivalent loads that produce the same displacements at the tunnel-soil interface. The soil displacements are calculated by multiplying these equivalent loads by Green's functions for a layered half-space. The results and the computation time of the proposed model are compared with those of an alternative coupled finite element-boundary element model that accounts for a tunnel embedded in a multi-layered half-space. While the overall response of the multi-layered half-space is well predicted, spatial shifts in the interference patterns are observed that result from the superposition of direct waves and waves reflected on the free surface and layer interfaces. The proposed model is much faster and can be run on a personal computer with much less use of memory. Therefore, it is a promising design tool to predict vibration from underground tunnels and to assess the performance of vibration countermeasures in an early design stage.

  17. Optimal power, power limit, and damping of vibration piezoelectric power harvesters

    NASA Astrophysics Data System (ADS)

    Liao, Yabin; Sodano, Henry

    2018-03-01

    Power harvesting describes the process of acquiring the ambient energy surrounding a system and converting it into usable electrical energy. Much of the work over the past two decades has focused on the conversion of ambient vibration energy sources using piezoelectric, electromagnetic and electrostatic transduction. Attempts were made to obtain a general model that could be applied to any transduction mechanism. Of the most interest is an electromagnetic generator model that was used by many researchers to model piezoelectric power harvesters. Two major results from the model are the power limit expression and the equal relationship between the electrically induced damping and the mechanical damping to reach the power limit. However, piezoelectric power harvesters cannot be accurately modeled by this electromagnetic model due to the essential difference in physics. There have also been attempts to obtain the power limit expression based on piezoelectric relationships, but they either neglect the piezoelectric backward coupling to the structure, or assume the power limit occurs at the resonance of the system. This paper obtains the power limit expression based on the piezoelectric coupled equations without those assumptions. In addition, the relationship between the electrically induced damping and mechanical damping at the power limit is studied. Furthermore, a closed-form criterion is derived and proposed to define strongly and weakly coupling power harvesters, whose differences in power characteristics are explained through analytical and numerical analysis. While most of the discussion is focused on linear power harvesters connected to a resistive circuit, the aim of this paper is to provide a comprehensive and deep understanding of this simple configuration, answers to important questions, and a starting point to develop a more general theory on power harvesters because similar system characteristics are observed in power harvesters with more complexities.

  18. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

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

    Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu; Lani, A.

    This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) Amore » Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.« less

  19. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

    NASA Astrophysics Data System (ADS)

    Zhang, W.; Lani, A.; Panesi, M.

    2016-07-01

    This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.

  20. Experiments In Characterizing Vibrations Of A Structure

    NASA Technical Reports Server (NTRS)

    Yam, Yeung; Hadaegh, Fred Y.; Bayard, David S.

    1993-01-01

    Report discusses experiments conducted to test methods of identification of vibrational and coupled rotational/vibrational modes of flexible structure. Report one in series that chronicle development of integrated system of methods, sensors, actuators, analog and digital signal-processing equipment, and algorithms to suppress vibrations in large, flexible structure even when dynamics of structure partly unknown and/or changing. Two prior articles describing aspects of research, "Autonomous Frequency-Domain Indentification" (NPO-18099), and "Automated Characterization Of Vibrations Of A Structure" (NPO-18141).

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

    Deng, Mingsen; Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, 550018; Ye, Gui

    The probe of flexible molecular conformation is crucial for the electric application of molecular systems. We have developed a theoretical procedure to analyze the couplings of molecular local vibrations with the electron transportation process, which enables us to evaluate the structural fingerprints of some vibrational modes in the inelastic electron tunneling spectroscopy (IETS). Based on a model molecule of Bis-(4-mercaptophenyl)-ether with a flexible center angle, we have revealed and validated a simple mathematical relationship between IETS signals and molecular angles. Our results might open a route to quantitatively measure key geometrical parameters of molecular junctions, which helps to achieve precisemore » control of molecular devices.« less

  2. Vibrationally-resolved Charge Transfer of O^3+ Ions with Molecular Hydrogen

    NASA Astrophysics Data System (ADS)

    Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.

    2003-05-01

    Charge transfer processes due to collisions of ground state O^3+ ions with H2 are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Vibrationally-resolved cross sections for energies between 0.1 eV/u and 2 keV/u using the infinite order sudden approximation (IOSA), vibrational sudden approximation (VSA), and electronic approximation (EA), but including Frank-Condon factors (the centroid approximation) will be presented. Comparison with existing experimental data for total cross sections shows best agreement with IOSA and discrepancies for VSA and EA. Triplet-singlet cross section ratios obtained with IOSA are found generally to be in harmony with experiment. JGW and PCS acknowledge support from NASA grant 11453.

  3. Invariants of electromechanical coupling coefficients in piezoceramics.

    PubMed

    Mezheritsky, Alex V

    2003-12-01

    The relationships between coefficients of electromechanical coupling (CEMC) of various types of piezoceramic resonator (PR) vibrations are considered. Being constant for a given piezoceramic state, the range of variation of piezoceramics dielectric permittivity from a mechanically "free" condition at relatively low frequencies up to an "overall clamped" condition at high frequencies is determined by a consecutive "clamping", caused by a complex of CEMCs of various particular vibrational modes peculiar to the resonator. As the difference between "free" and "overall clamped" permittivities is always determined by the maximal piezomaterial ki3 coupling coefficient, the difference does not depend on the path that was gone through the low-high frequency range, which includes all the vibrational modes possible for a particular PR. The influence of the piezoelectric and elastic anisotropy of lead-zirconate-titanate (PZT) piezoceramic materials on relative CEMC variations was experimentally investigated.

  4. Observation of two coupled Faraday waves in a vertically vibrating Hele-Shaw cell with one of them oscillating horizontally

    NASA Astrophysics Data System (ADS)

    Li, Xiaochen; Li, Xiaoming; Liao, Shijun

    2018-01-01

    A system of two coupled Faraday waves is experimentally observed at the two interfaces of the three layers of fluids (air, pure ethanol, and silicon oil) in a covered Hele-Shaw cell with periodic vertical vibration. Both the upper and lower Faraday waves are subharmonic, but they coexist in different forms: the upper one vibrates vertically, while the crests of the lower one oscillate horizontally with unchanged wave height, and the troughs of the lower one usually remain in the same place (relative to the basin). Besides, they are strongly coupled: the wave height of the lower Faraday waves is either a linear function (when forcing frequency is fixed) or a parabolic function (when acceleration amplitude is fixed) of that of the upper one with a same wavelength.

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

    NASA Astrophysics Data System (ADS)

    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.

  6. Graph theory applied to noise and vibration control in statistical energy analysis models.

    PubMed

    Guasch, Oriol; Cortés, Lluís

    2009-06-01

    A fundamental aspect of noise and vibration control in statistical energy analysis (SEA) models consists in first identifying and then reducing the energy flow paths between subsystems. In this work, it is proposed to make use of some results from graph theory to address both issues. On the one hand, linear and path algebras applied to adjacency matrices of SEA graphs are used to determine the existence of any order paths between subsystems, counting and labeling them, finding extremal paths, or determining the power flow contributions from groups of paths. On the other hand, a strategy is presented that makes use of graph cut algorithms to reduce the energy flow from a source subsystem to a receiver one, modifying as few internal and coupling loss factors as possible.

  7. The origins of intra- and inter-molecular vibrational couplings: A case study of H{sub 2}O-Ar on full and reduced-dimensional potential energy surface

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

    Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long

    2016-01-07

    The origin and strength of intra- and inter-molecular vibrational coupling is difficult to probe by direct experimental observations. However, explicitly including or not including some specific intramolecular vibrational modes to study intermolecular interaction provides a precise theoretical way to examine the effects of anharmonic coupling between modes. In this work, a full-dimension intra- and inter-molecular ab initio potential energy surface (PES) for H{sub 2}O–Ar, which explicitly incorporates interdependence on the intramolecular (Q{sub 1},  Q{sub 2},  Q{sub 3}) normal-mode coordinates of the H{sub 2}O monomer, has been calculated. In addition, four analytic vibrational-quantum-state-specific PESs are obtained by least-squares fitting vibrationally averagedmore » interaction energies for the (v{sub 1},  v{sub 2},  v{sub 3}) =  (0,  0,  0), (0,  0,  1), (1,  0,  0), (0,  1,  0) states of H{sub 2}O to the three-dimensional Morse/long-range potential function. Each vibrationally averaged PES fitted to 442 points has root-mean-square (rms) deviation smaller than 0.15 cm{sup −1}, and required only 58 parameters. With the 3D PESs of H{sub 2}O–Ar dimer system, we employed the combined radial discrete variable representation/angular finite basis representation method and Lanczos algorithm to calculate rovibrational energy levels. This showed that the resulting vibrationally averaged PESs provide good representations of the experimental infrared data, with rms discrepancies smaller than 0.02 cm{sup −1} for all three rotational branches of the asymmetric stretch fundamental transitions. The infrared band origin shifts associated with three fundamental bands of H{sub 2}O in H{sub 2}O–Ar complex are predicted for the first time and are found to be in good agreement with the (extrapolated) experimental values. Upon introduction of additional intramolecular degrees of freedom into the intermolecular potential energy surface, there is clear spectroscopic evidence of intra- and intermolecular vibrational couplings.« less

  8. Coupled vibrations of rectangular buildings subjected to normally-incident random wind loads

    USGS Publications Warehouse

    Safak, E.; Foutch, D.A.

    1987-01-01

    A method for analyzing the three-directional coupled dynamic response of wind-excited buildings is presented. The method is based on a random vibration concept and is parallel to those currently used for analyzing alongwind response. Only the buildings with rectangular cross-section and normally-incident wind are considered. The alongwind pressures and their correlations are represented by the well-known expressions that are available in the literature. The acrosswind forces are assumed to be mainly due to vortex shedding. The torque acting on the building is taken as the sum of the torque due to random alongwind forces plus the torque due to asymmetric acrosswind forces. The study shows the following: (1) amplitude of acrosswind vibrations can be several times greater than that of alongwind vibrations; (2) torsional vibrations are significant if the building has large frontal width, and/or it is asymmetric, and/or its torsional natural frequency is low; (3) even a perfectly symmetric structure with normally incident wind can experience significant torsional vibrations due to the randomness of wind pressures. ?? 1987.

  9. Simulation study of 2D spectrum of molecular aggregates coupled to correlated vibrations

    NASA Astrophysics Data System (ADS)

    Abramavicius, Darius; Butkus, Vytautas; Valkunas, Leonas; Mukamel, Shaul

    2011-03-01

    Oscillatory dynamics of two-dimensional (2D) spectra of photosynthetic pigment-protein complexes raise the questions of how to disentangle various origins of these oscillations, which may include quantum beats, quantum transport, or molecular vibrations. We study the effects of correlated overdamped fluctuations and under-damped vibrations on the 2D spectra of Fenna-Matthews-Olson (FMO) aggregate, which has well-resolved exciton resonances, and a circular porphyrin aggregate (P6), whose absorption shows vibrational progression. We use a generic exciton Hamiltonian coupled to a bath, characterized by a spectral density. Fluctuations have smooth, while vibtations have δ -type spectral densities. We show how various scenarios of correlated molecular fluctuations lead to some highly oscillatory crosspeaks. Molecular vibrations cause progression of diagonal peaks in the 2D spectrum and make their corresponding cross-peaks highly oscillatory. We, thus, demonstrate that bath fluctuations and molecular vibrations of realistic molecular aggregates are highly entangled in 2D spectroscopy. DA acknowledges grant VP1-3.1-SMM-07-V, SM - the grants CHE0745892 (NSF), DRPA BAA-10-40 QUBE.

  10. Elastic and inelastic scattering of neutrons on 238U nucleus

    NASA Astrophysics Data System (ADS)

    Capote, R.; Trkov, A.; Sin, M.; Herman, M. W.; Soukhovitskiĩ, E. Sh.

    2014-04-01

    Advanced modelling of neutron induced reactions on the 238U nucleus is aimed at improving our knowledge of neutron scattering. Capture and fission channels are well constrained by available experimental data and neutron standard evaluation. A focus of this contribution is on elastic and inelastic scattering cross sections. The employed nuclear reaction model includes - a new rotational-vibrational dispersive optical model potential coupling the low-lying collective bands of vibrational character observed in even-even actinides; - the Engelbrecht-Weidenmüller transformation allowing for inclusion of compound-direct interference effects; - and a multi-humped fission barrier with absorption in the secondary well described within the optical model for fission. Impact of the advanced modelling on elastic and inelastic scattering cross sections including angular distributions and emission spectra is assessed both by comparison with selected microscopic experimental data and integral criticality benchmarks including measured reaction rates (e.g. JEMIMA, FLAPTOP and BIG TEN). Benchmark calculations provided feedback to improve the reaction modelling. Improvement of existing libraries will be discussed.

  11. Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope

    PubMed Central

    Nitzan, Sarah H.; Zega, Valentina; Li, Mo; Ahn, Chae H.; Corigliano, Alberto; Kenny, Thomas W.; Horsley, David A.

    2015-01-01

    Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes. PMID:25762243

  12. Self-induced parametric amplification arising from nonlinear elastic coupling in a micromechanical resonating disk gyroscope.

    PubMed

    Nitzan, Sarah H; Zega, Valentina; Li, Mo; Ahn, Chae H; Corigliano, Alberto; Kenny, Thomas W; Horsley, David A

    2015-03-12

    Parametric amplification, resulting from intentionally varying a parameter in a resonator at twice its resonant frequency, has been successfully employed to increase the sensitivity of many micro- and nano-scale sensors. Here, we introduce the concept of self-induced parametric amplification, which arises naturally from nonlinear elastic coupling between the degenerate vibration modes in a micromechanical disk-resonator, and is not externally applied. The device functions as a gyroscope wherein angular rotation is detected from Coriolis coupling of elastic vibration energy from a driven vibration mode into a second degenerate sensing mode. While nonlinear elasticity in silicon resonators is extremely weak, in this high quality-factor device, ppm-level nonlinear elastic effects result in an order-of-magnitude increase in the observed sensitivity to Coriolis force relative to linear theory. Perfect degeneracy of the primary and secondary vibration modes is achieved through electrostatic frequency tuning, which also enables the phase and frequency of the parametric coupling to be varied, and we show that the resulting phase and frequency dependence of the amplification follow the theory of parametric resonance. We expect that this phenomenon will be useful for both fundamental studies of dynamic systems with low dissipation and for increasing signal-to-noise ratio in practical applications such as gyroscopes.

  13. Local vibrational modes of the water dimer - Comparison of theory and experiment

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

    Local and normal vibrational modes of the water dimer are calculated at the CCSD(T)/CBS level of theory. The local H-bond stretching frequency is 528 cm-1 compared to a normal mode stretching frequency of just 143 cm-1. The adiabatic connection scheme between local and normal vibrational modes reveals that the lowering is due to mass coupling, a change in the anharmonicity, and coupling with the local HOH bending modes. The local mode stretching force constant is related to the strength of the H-bond whereas the normal mode stretching force constant and frequency lead to an erroneous underestimation of the H-bond strength.

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

    PubMed

    Rasheed, Tabish; Ahmad, Shabbir

    2010-10-01

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

  15. Unraveling torsional bath interactions with the CO stretching state in methanol

    NASA Astrophysics Data System (ADS)

    Pearson, John C.; Daly, Adam M.; Lees, Ronald M.

    2015-12-01

    Quantum mechanical models describing the effects of a C3 internal rotor have been successful in modeling all the torsional manifolds of isolated vibrational states. However, modeling the coupling between nearly degenerate small amplitude vibrations in the C3 internal rotation case remains far from satisfactory and a variety of practical and fundamental questions persist on basis sets, the relative importance of effects and how the problem should be approached. The ν8 C-O stretching state of methanol has been well studied with infrared techniques and has the potential to serve as an experimental reference data set for the development of models for the coupled large and small amplitude motion case. A combined infrared-microwave study of the lowest K A-states of vt = 3, vt = 4 and ν8 has been performed to understand the nature of the interactions between ν8 the excited torsional states. The interaction between vt = 4 and ν8 at K = 0+ has been confirmed to be Fermi type with magnitude of 2.5 cm-1. Additionally, the fundamental a-symmetry and b-symmetry Coriolis interactions between vt = 3 and ν8 have been estimated to be 8900 MHz and -360 MHz, respectively. The magnitude of these interactions suggests that modeling the ν8 state, the vt = 3 state, and the vt = 4 states will have to carefully account for these interactions.

  16. Numerical assessment of fore-and-aft suspension performance to reduce whole-body vibration of wheel loader drivers

    NASA Astrophysics Data System (ADS)

    Fleury, Gérard; Mistrot, Pierre

    2006-12-01

    While driving off-road vehicles, operators are exposed to whole-body vibration acting in the fore-and-aft direction. Seat manufacturers supply products equipped with fore-and-aft suspension but only a few studies report on their performance. This work proposes a computational approach to design fore-and-aft suspensions for wheel loader seats. Field tests were conducted in a quarry to analyse the nature of vibration to which the driver was exposed. Typical input signals were recorded to be reproduced in the laboratory. Technical specifications are defined for the suspension. In order to evaluate the suspension vibration attenuation performance, a model of a sitting human body was developed and coupled to a seat model. The seat model combines the models of each suspension component. A linear two-degree-of-freedom model is used to describe the dynamic behaviour of the sitting driver. Model parameters are identified by fitting the computed apparent mass frequency response functions to the measured values. Model extensions are proposed to investigate postural effects involving variations in hands and feet positions and interaction of the driver's back with the backrest. Suspension design parameters are firstly optimized by computing the seat/man model response to sinusoidal acceleration. Four criteria including transmissibility, interaction force between the driver's back and the backrest and relative maximal displacement of the suspension are computed. A new suspension design with optimized features is proposed. Its performance is checked from calculations of the response of the seat/man model subjected to acceleration measured on the wheel loader during real work conditions. On the basis of the computed values of the SEAT factors, it is found possible to design a suspension that would increase the attenuation provided by the seat by a factor of two.

  17. Coupling of Excitons and Discrete Acoustic Phonons in Vibrationally Isolated Quantum Emitters.

    PubMed

    Werschler, Florian; Hinz, Christopher; Froning, Florian; Gumbsheimer, Pascal; Haase, Johannes; Negele, Carla; de Roo, Tjaard; Mecking, Stefan; Leitenstorfer, Alfred; Seletskiy, Denis V

    2016-09-14

    The photoluminescence emission by mesoscopic condensed matter is ultimately dictated by the fine-structure splitting of the fundamental exciton into optically allowed and dipole-forbidden states. In epitaxially grown semiconductor quantum dots, nonradiative equilibration between the fine-structure levels is mediated by bulk acoustic phonons, resulting in asymmetric spectral broadening of the excitonic luminescence. In isolated colloidal quantum dots, spatial confinement of the vibrational motion is expected to give rise to an interplay between the quantized electronic and phononic degrees of freedom. In most cases, however, zero-dimensional colloidal nanocrystals are strongly coupled to the substrate such that the charge relaxation processes are still effectively governed by the bulk properties. Here we show that encapsulation of single colloidal CdSe/CdS nanocrystals into individual organic polymer shells allows for systematic vibrational decoupling of the semiconductor nanospheres from the surroundings. In contrast to epitaxially grown quantum dots, simultaneous quantization of both electronic and vibrational degrees of freedom results in a series of strong and narrow acoustic phonon sidebands observed in the photoluminescence. Furthermore, an individual analysis of more than 200 compound particles reveals that enhancement or suppression of the radiative properties of the fundamental exciton is controlled by the interaction between fine-structure states via the discrete vibrational modes. For the first time, pronounced resonances in the scattering rate between the fine-structure states are directly observed, in good agreement with a quantum mechanical model. The unambiguous assignment of mediating acoustic modes to the observed scattering resonances complements the experimental findings. Thus, our results form an attractive basis for future studies on subterahertz quantum opto-mechanics and efficient laser cooling at the nanoscale.

  18. Correlated phonons and the Tc-dependent dynamical phonon anomalies

    NASA Astrophysics Data System (ADS)

    Hakioğlu, T.; Türeci, H.

    1997-11-01

    Anomalously large low-temperature phonon anharmonicities can lead to static as well as dynamical changes in the low-temperature properties of the electron-phonon system. In this work, we focus our attention on the dynamically generated low-temperature correlations in an interacting electron-phonon system using a self-consistent dynamical approach in the intermediate coupling range. In the context of the model, the polaron correlations are produced by the charge-density fluctuations which are generated dynamically by the electron-phonon coupling. Conversely, the latter is influenced in the presence of the former. The purpose of this work is to examine the dynamics of this dual mechanism between the two using the illustrative Fröhlich model. In particular, the influence of the low-temperature phonon dynamics on the superconducting properties in the intermediate coupling range is investigated. The influence on the Holstein reduction factor as well as the enhancement in the zero-point fluctuations and in the electron-phonon coupling are calculated numerically. We also examine these effects in the presence of superconductivity. Within this model, the contribution of the electron-phonon interaction as one of the important elements in the mechanisms of superconductivity can reach values as high as 15-20% of the characteristic scale of the lattice vibrational energy. The second motivation of this work is to understand the nature of the Tc-dependent temperature anomalies observed in the Debye-Waller factor, dynamical pair correlations, and average atomic vibrational energies for a number of high-temperature superconductors. In our approach we do not claim nor believe that the electron-phonon interaction is the primary mechanism leading to high-temperature superconductivity. Nevertheless, our calculations suggest that the dynamically induced low-temperature phonon correlation model can account for these anomalies and illustrates their possible common origin. Finally, the relevance of incorporating these low-temperature effects into more realistic models of high-temperature superconductivity including both the charge and spin degrees and other similar ideas existing in the literature are discussed.

  19. Non-equilibrium plasma kinetics of reacting CO: an improved state to state approach

    NASA Astrophysics Data System (ADS)

    Pietanza, L. D.; Colonna, G.; Capitelli, M.

    2017-12-01

    Non-equilibrium plasma kinetics of reacting CO for conditions typically met in microwave discharges have been developed based on the coupling of excited state kinetics and the Boltzmann equation for the electron energy distribution function (EEDF). Particular attention is given to the insertion in the vibrational kinetics of a complete set of electron molecule resonant processes linking the whole vibrational ladder of the CO molecule, as well as to the role of Boudouard reaction, i.e. the process of forming CO2 by two vibrationally excited CO molecules, in shaping the vibrational distribution of CO and promoting reaction channels assisted by vibrational excitation (pure vibrational mechanisms, PVM). PVM mechanisms can become competitive with electron impact dissociation processes (DEM) in the activation of CO. A case study reproducing the conditions of a microwave discharge has been considered following the coupled kinetics also in the post discharge conditions. Results include the evolution of EEDF in discharge and post discharge conditions highlighting the role of superelastic vibrational and electronic collisions in shaping the EEDF. Moreover, PVM rate coefficients and DEM ones are studied as a function of gas temperature, showing a non-Arrhenius behavior, i.e. the rate coefficients increase with decreasing gas temperature as a result of a vibrational-vibrational (V-V) pumping up mechanism able to form plateaux in the vibrational distribution function. The accuracy of the results is discussed in particular in connection to the present knowledge of the activation energy of the Boudouard process.

  20. Modeling and Analysis of Composite Wing Sections for Improved Aeroelastic and Vibration Characteristics Using Smart Materials

    NASA Technical Reports Server (NTRS)

    Chattopadhyay, Aditi

    1996-01-01

    The objective of this research is to develop analysis procedures to investigate the coupling of composite and smart materials to improve aeroelastic and vibratory response of aerospace structures. The structural modeling must account for arbitrarily thick geometries, embedded and surface bonded sensors and actuators and imperfections, such as delamination. Changes in the dynamic response due to the presence of smart materials and delaminations is investigated. Experiments are to be performed to validate the proposed mathematical model.

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