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.

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.

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.

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.

User's manual for the coupled rotor/airframe vibration analysis graphic package

NASA Technical Reports Server (NTRS)

Studwell, R. E.

1982-01-01

User instructions for a graphics package for coupled rotor/airframe vibration analysis are presented. Responses to plot package messages which the user must make to activate plot package operations and options are described. Installation instructions required to set up the program on the CDC system are included. The plot package overlay structure and subroutines which have to be modified for the CDC system are also described. Operating instructions for CDC applications are included.

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.

Vibration analysis of rotor blades with pendulum absorbers

NASA Technical Reports Server (NTRS)

Murthy, V. R.; Hammond, C. E.

1979-01-01

A comprehensive vibration analysis of rotor blades with spherical pendulum absorbers is presented. Linearized equations of motion for small oscillations about the steady-state deflection of a spherical pendulum on elastic rotor blades undergoing coupled flapwise bending, chordwise bending, and torsional vibrations are obtained. A transmission matrix formulation is given to determine the natural vibrational characteristics of rotor blades with spherical or simple flapping pendulum absorbers. The natural frequencies and mode shapes of a hingeless rotor blade with a spherical pendulum are computed.

Coupled Electro-Magneto-Mechanical-Acoustic Analysis Method Developed by Using 2D Finite Element Method for Flat Panel Speaker Driven by Magnetostrictive-Material-Based Actuator

NASA Astrophysics Data System (ADS)

Yoo, Byungjin; Hirata, Katsuhiro; Oonishi, Atsurou

In this study, a coupled analysis method for flat panel speakers driven by giant magnetostrictive material (GMM) based actuator was developed. The sound field produced by a flat panel speaker that is driven by a GMM actuator depends on the vibration of the flat panel, this vibration is a result of magnetostriction property of the GMM. In this case, to predict the sound pressure level (SPL) in the audio-frequency range, it is necessary to take into account not only the magnetostriction property of the GMM but also the effect of eddy current and the vibration characteristics of the actuator and the flat panel. In this paper, a coupled electromagnetic-structural-acoustic analysis method is presented; this method was developed by using the finite element method (FEM). This analysis method is used to predict the performance of a flat panel speaker in the audio-frequency range. The validity of the analysis method is verified by comparing with the measurement results of a prototype speaker.

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.

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

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.

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.

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

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.

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.

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

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.

Structural-acoustic coupling in aircraft fuselage structures

NASA Technical Reports Server (NTRS)

Mathur, Gopal P.; Simpson, Myles A.

1992-01-01

Results of analytical and experimental investigations of structural-acoustic coupling phenomenon in an aircraft fuselage are described. The structural and acoustic cavity modes of DC-9 fuselage were determined using a finite element approach to vibration analysis. Predicted structural and acoustic dispersion curves were used to determine possible occurrences of structural-acoustic coupling for the fuselage. An aft section of DC-9 aircraft fuselage, housed in an anechoic chamber, was used for experimental investigations. The test fuselage was excited by a shaker and vibration response and interior sound field were measured using accelerometer and microphone arrays. The wavenumber-frequency structural and cavity response maps were generated from the measured data. Analysis and interpretation of the spatial plots and wavenumber maps provided the required information on modal characteristics, fuselage response and structural-acoustic coupling.

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.

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.

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.

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.

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

Digital computer program DF1758 fully coupled natural frequencies and mode shapes of a helicopter rotor blade

NASA Technical Reports Server (NTRS)

Bennett, R. L.

1975-01-01

The analytical techniques and computer program developed in the fully-coupled rotor vibration study are described. The rotor blade natural frequency and mode shape analysis was implemented in a digital computer program designated DF1758. The program computes collective, cyclic, and scissor modes for a single blade within a specified range of frequency for specified values of rotor RPM and collective angle. The analysis includes effects of blade twist, cg offset from reference axis, and shear center offset from reference axis. Coupled inplane, out-of-plane, and torsional vibrations are considered. Normalized displacements, shear forces and moments may be printed out and Calcomp plots of natural frequencies as a function of rotor RPM may be produced.

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

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.

The Shock and Vibration Digest. Volume 15. Number 1

DTIC Science & Technology

1983-01-01

acoustics The books are arranged to engineer is statistical energy analysis (SEA). This show the wealth of information that exists and the concept is...is also used for vibrating systems in pie nonlinear elements. However, for systems with a which statistical energy analysis and power flow continuous... statistical energy analysis to analyze the random nonlinear algebraic equations can be difficult. response of two identical subsystems coupled at an end

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.

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.

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.

Internal hysteresis experienced on a high pressure syn gas compressor

NASA Technical Reports Server (NTRS)

Zeidan, F. Y.

1984-01-01

A vibration instability phenomenon experienced in operating high pressure syn gas centrifugal compressors in two ammonia plants is described. The compressors were monitored by orbit and spectrum analysis for changes from baseline readings. It is found that internal hysteresis was the major destabilizing force; however, the problem was further complicated by seal lockup at the suction end of the compressor. A coupling lockup problem and a coupling fit problem, which frettage of the shaft, are also considered as contributors to the self excited vibrations.

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.

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.

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.

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.

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.

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.

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.

Vibratory Response and Acoustical Radiation of a Water-Loaded, Turbulence-Excited Plate-Cavity System--Option 6

DTIC Science & Technology

1975-07-01

Statistical Energy Analysis MAJOR ASSUMPTIONS AND LIMITATIONS . Simply supported panel it contidarad to ba vibrating freely in a mode consisting of e...Shells: Statistical Energy Analysis . Modal Coupling and Nonresonant Transmission. Univ Houston, Dept Mech Eng Tech Report 21 (Aug 1970); also J...Oscillators. J. Acoust. Soc. Am., Vol. 34, No. 5 (May 1962). 14. Ungar, E.E., Fundamentals of Statistical Energy Analysis of Vibrating Systems, Tech

Coupled rotor/airframe vibration analysis program manual manual. Volume 1: User's and programmer's instructions

NASA Technical Reports Server (NTRS)

Cassarino, S.; Sopher, R.

1982-01-01

user instruction and software descriptions for the base program of the coupled rotor/airframe vibration analysis are provided. The functional capabilities and procedures for running the program are provided. Interfaces with external programs are discussed. The procedure of synthesizing a dynamic system and the various solution methods are described. Input data and output results are presented. Detailed information is provided on the program structure. Sample test case results for five representative dynamic configurations are provided and discussed. System response are plotted to demonstrate the plots capabilities available. Instructions to install and execute SIMVIB on the CDC computer system are provided.

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.

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

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.

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.

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.

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.

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

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.

A Coupling Analysis Approach to Capture Unexpected Behaviors in Ares 1

NASA Astrophysics Data System (ADS)

Kis, David

Coupling of physics in large-scale complex engineering systems must be correctly accounted for during the systems engineering process. Preliminary corrections ensure no unanticipated behaviors arise during operation. Structural vibration of large segmented solid rocket motors, known as thrust oscillation, is a well-documented problem that can effect solid rocket motors in adverse ways. Within the Ares 1 rocket, unexpected vibrations deemed potentially harmful to future crew were recorded during late stage flight that propagated from the engine chamber to the Orion crew module. This research proposes the use of a coupling strength analysis during the design and development phase to identify potential unanticipated behaviors such as thrust oscillation. Once these behaviors and couplings are identified then a value function, based on research in Value Driven Design, is proposed to evaluate mitigation strategies and their impact on system value. The results from this study showcase a strong coupling interaction from structural displacement back onto the fluid flow of the Ares 1 that was previously deemed inconsequential. These findings show that the use of a coupling strength analysis can aid engineers and managers in identifying unanticipated behaviors and then rank order their importance based on the impact they have on value.

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.

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.

Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores

DOE PAGES

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian; ...

2017-06-12

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

The Shock and Vibration Digest. Volume 15, Number 7

DTIC Science & Technology

1983-07-01

systems noise -- for tant analytical tool, the statistical energy analysis example, from a specific metal, chain driven, con- method, has been the subject...34Experimental Determination of Vibration Parameters Re- ~~~quired in the Statistical Energy Analysis Meth- .,i. 31. Dubowsky, S. and Morris, T.L., "An...34Coupling Loss Factors for 55. Upton, R., "Sound Intensity -. A Powerful New Statistical Energy Analysis of Sound Trans- Measurement Tool," S/V, Sound

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.

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.

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.

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.

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

Nelson, Tammie Renee; Fernandez Alberti, Sebastian; Roitberg, Adrian

The efficiency of materials developed for solar energy and technological applications depends on the interplay between molecular architecture and light-induced electronic energy redistribution. The spatial localization of electronic excitations is very sensitive to molecular distortions. Vibrational nuclear motions can couple to electronic dynamics driving changes in localization. The electronic energy transfer among multiple chromophores arises from several distinct mechanisms that can give rise to experimentally measured signals. Atomistic simulations of coupled electron-vibrational dynamics can help uncover the nuclear motions directing energy flow. Through careful analysis of excited state wave function evolution and a useful fragmenting of multichromophore systems, through-bond transportmore » and exciton hopping (through-space) mechanisms can be distinguished. Such insights are crucial in the interpretation of fluorescence anisotropy measurements and can aid materials design. Finally, this Perspective highlights the interconnected vibrational and electronic motions at the foundation of nonadiabatic dynamics where nuclear motions, including torsional rotations and bond vibrations, drive electronic transitions.« less

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.

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.

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.

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.

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.

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

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.

Power flow analysis of two coupled plates with arbitrary characteristics

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1990-01-01

In the last progress report (Feb. 1988) some results were presented for a parametric analysis on the vibrational power flow between two coupled plate structures using the mobility power flow approach. The results reported then were for changes in the structural parameters of the two plates, but with the two plates identical in their structural characteristics. Herein, limitation is removed. The vibrational power input and output are evaluated for different values of the structural damping loss factor for the source and receiver plates. In performing this parametric analysis, the source plate characteristics are kept constant. The purpose of this parametric analysis is to determine the most critical parameters that influence the flow of vibrational power from the source plate to the receiver plate. In the case of the structural damping parametric analysis, the influence of changes in the source plate damping is also investigated. The results obtained from the mobility power flow approach are compared to results obtained using a statistical energy analysis (SEA) approach. The significance of the power flow results are discussed together with a discussion and a comparison between the SEA results and the mobility power flow results. Furthermore, the benefits derived from using the mobility power flow approach are examined.

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.

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.

Measuring System Value in the Ares 1 Rocket Using an Uncertainty-Based Coupling Analysis Approach

NASA Astrophysics Data System (ADS)

Wenger, Christopher

Coupling of physics in large-scale complex engineering systems must be correctly accounted for during the systems engineering process to ensure no unanticipated behaviors or unintended consequences arise in the system during operation. Structural vibration of large segmented solid rocket motors, known as thrust oscillation, is a well-documented problem that can affect the health and safety of any crew onboard. Within the Ares 1 rocket, larger than anticipated vibrations were recorded during late stage flight that propagated from the engine chamber to the Orion crew module. Upon investigation engineers found the root cause to be the structure of the rockets feedback onto fluid flow within the engine. The goal of this paper is to showcase a coupling strength analysis from the field of Multidisciplinary Design Optimization to identify the major impacts that caused the Thrust Oscillation event in the Ares 1. Once identified an uncertainty analysis of the coupled system using an uncertainty based optimization technique is used to identify the likelihood of occurrence for these strong or weak interactions to take place.

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

NASA Astrophysics Data System (ADS)

Mead, Denys J.

2009-01-01

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

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.

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.

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.

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.

Theoretical investigations of energy harvesting efficiency from structural vibrations using piezoelectric and electromagnetic oscillators.

PubMed

Harne, Ryan L

2012-07-01

Conversion of ambient vibrational energy into electric power has been the impetus of much modern research. The traditional analysis has focused on absolute electrical power output from the harvesting devices and efficiency defined as the convertibility of an infinite resource of vibration excitation into power. This perspective has limited extensibility when applying resonant harvesters to host resonant structures when the inertial influence of the harvester is more significant. Instead, this work pursues a fundamental understanding of the coupled dynamics of a main mass-spring-damper system to which an electromagnetic or piezoelectric mass-spring-damper is attached. The governing equations are derived, a metric of efficiency is presented, and analysis is undertaken. It is found that electromagnetic energy harvesting efficiency and maximum power output is limited by the strength of the coupling such that no split system resonances are induced for a given mass ratio. For piezoelectric harvesters, only the coupling strength and certain design requirements dictate maximum power and efficiency achievable. Since the harvesting circuitry must "follow" the split resonances as the piezoelectric harvesters become more massive, the optimum design of piezoelectric harvesters appears to be more involved than for electromagnetic devices.

The Shock and Vibration Digest, Volume 14, Number 2, February 1982

DTIC Science & Technology

1982-02-01

figurations. 75 4J DUCTS 82-424 (Also see No. 346) Coupling Lou Factors for Statistical Energy Analysis of Sound Transnission at Rectangular...waves, Sound waves, Wave props- tures by means of statistical energy analysis (SEA) coupling gation loss factors for the structure-borne sound...multilayered panels are discussed. Statistical energy analysis (SEA) has proved to be a promising Experimental results of stiffened panels, damping tape

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

The ÖX˜ absorption of vinoxy radical revisited: Normal and Herzberg-Teller bands observed via cavity ringdown spectroscopy

NASA Astrophysics Data System (ADS)

Thomas, Phillip S.; Chhantyal-Pun, Rabi; Kline, Neal D.; Miller, Terry A.

2010-03-01

The ÖX˜ electronic absorption spectrum of vinoxy radical has been investigated using room temperature cavity ringdown spectroscopy. Analysis of the observed bands on the basis of computed vibrational frequencies and rotational envelopes reveals that two distinct types of features are present with comparable intensities. The first type corresponds to "normal" allowed electronic transitions to the origin and symmetric vibrations in the à state. The second type is interpreted in terms of excitations to asymmetric à state vibrations, which are only vibronically allowed by Herzberg-Teller coupling to the B˜ state. Results of electronic structure calculations indicate that the magnitude of the Herzberg-Teller coupling is appropriate to produce vibronically induced transitions with intensities comparable to those of the normal bands.

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

NASA Astrophysics Data System (ADS)

Sørensen, L. K.; Fleig, T.; Olsen, J.

2009-08-01

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

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.

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).

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

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.

Coupling strength assumption in statistical energy analysis

PubMed Central

Lafont, T.; Totaro, N.

2017-01-01

This paper is a discussion of the hypothesis of weak coupling in statistical energy analysis (SEA). The examples of coupled oscillators and statistical ensembles of coupled plates excited by broadband random forces are discussed. In each case, a reference calculation is compared with the SEA calculation. First, it is shown that the main SEA relation, the coupling power proportionality, is always valid for two oscillators irrespective of the coupling strength. But the case of three subsystems, consisting of oscillators or ensembles of plates, indicates that the coupling power proportionality fails when the coupling is strong. Strong coupling leads to non-zero indirect coupling loss factors and, sometimes, even to a reversal of the energy flow direction from low to high vibrational temperature. PMID:28484335

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.

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.

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.

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.

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.

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.

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.

Final Scientific/Technical Report: Breakthrough Design and Implementation of Many-Body Theories for Electron Correlation

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

So Hirata

2012-01-03

This report discusses the following highlights of the project: (1) grid-based Hartree-Fock equation solver; (2) explicitly correlated coupled-cluster and perturbation methods; (3) anharmonic vibrational frequencies and vibrationally averaged NMR and structural parameters of FHF; (4) anharmonic vibrational frequencies and vibrationally averaged structures of hydrocarbon combustion species; (5) anharmonic vibrational analysis of the guanine-cytosine base pair; (6) the nature of the Born-Oppenheimer approximation; (7) Polymers and solids Brillouin-zone downsampling - the modulo MP2 method; (8) explicitly correlated MP2 for extended systems; (9) fast correlated method for molecular crystals - solid formic acid; and (10) fast correlated method for molecular crystals -more » solid hydrogen fluoride.« less

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.

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.

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.

On-line damage detection in rotating machinery

NASA Astrophysics Data System (ADS)

Alkhalifa, Tareq Jawad

This work is concerned with a set of techniques to detect internal defects in uniform circular discs (rotors). An internal defect is intentionally manufactured in stereolithographic discs by a rapid prototyping process using cured resin SL 5170 material. The analysis and results presented here are limited to a uniform circular disc, with internal defects, mounted on a uniform flexible circular shaft. The setup is comprised of a Bently Nevada rotor kit connected to a data acquisition system. The rotor consists of a disc and shaft that is supported by journal bearings and is coupled to a motor by a rubber joint. Damage produces localized changes in the strain energy, which is quantified to characterize the damage. Based on previous research, the Strain Energy Damage Index (SEDI) is utilized to localize the damage due to strain energy differences between damaged and undamaged modes. To accomplish the objective, this work covers three types of analysis: finite element analysis, vibration analysis, and experimental modal analysis. Finite element analysis (using SDRC Ideas software) is performed to develop a multi-degree-of-freedom (MDOF) rotor system with internal damage, and its dynamic characteristics are investigated. The analysis is performed for two different types damage cases: radial damage and circular damage. Parametric study for radial damage and random noise to undamaged disc have been investigated to predict the effect of noise in the damage detection. The developed on-line damage detection technique for rotating equipment incorporates and couples both vibration analysis and experimental modal analysis. The dynamic investigation of the rotating discs (with and without defect) is conducted by vibration signal analysis (using proximity sensors, data acquisition and LabView). The vibration analysis provides a unique vibration signature for the damaged disc, which indicates the existence of the damage. The vibration data are acquired at different running speeds (1000, 2500, 5000 rpm). Then the dynamic investigation of non-rotating discs (with and without defect) is conducted by experimental modal analysis (using STAR software). While the vibration analysis detects and indicates the existence of damage while the disc is rotating, experimental modal analysis (using STAR and MATLAB software) provides the localization of damage through the modal parameters for a non-rotating disc. Both of the experimental diagnostic algorithms are based on measurement of the dynamic behavior of the damaged disc. The results are compared with the reference, or baseline, one, obtained initially for an undamaged disc. (Abstract shortened by UMI.)

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.

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

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.

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.

Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study.

PubMed

Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Bloino, Julien; Tasinato, Nicola; Carnimeo, Ivan; Biczysko, Malgorzata; Puzzarini, Cristina

2017-05-04

The medium-resolution gas-phase infrared (IR) spectra of 1-bromo-1-fluoroethene (BrFC═CH 2 , 1,1-C 2 H 2 BrF) were investigated in the range 300-6500 cm -1 , and the vibrational analysis led to the assignment of all fundamentals as well as many overtone and combination bands up to three quanta, thus giving an accurate description of its vibrational structure. Integrated band intensity data were determined with high precision from the measurements of their corresponding absorption cross sections. The vibrational analysis was supported by high-level ab initio investigations. CCSD(T) computations accounting for extrapolation to the complete basis set and core correlation effects were employed to accurately determine the molecular structure and harmonic force field. The latter was then coupled to B2PLYP and MP2 computations in order to account for mechanical and electrical anharmonicities. Second-order perturbative vibrational theory was then applied to the thus obtained hybrid force fields to support the experimental assignment of the IR spectra.

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.

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.

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.

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.

The (CH2)2O-H2O hydrogen bonded complex. Ab Initio calculations and Fourier transform infrared spectroscopy from neon matrix and a new supersonic jet experiment coupled to the infrared AILES beamline of synchrotron SOLEIL.

PubMed

Cirtog, M; Asselin, P; Soulard, P; Tremblay, B; Madebène, B; Alikhani, M E; Georges, R; Moudens, A; Goubet, M; Huet, T R; Pirali, O; Roy, P

2011-03-31

A series of hydrogen bonded complexes involving oxirane and water molecules have been studied. In this paper we report on the vibrational study of the oxirane-water complex (CH(2))(2)O-H(2)O. Neon matrix experiments and ab initio anharmonic vibrational calculations have been performed, providing a consistent set of vibrational frequencies and anharmonic coupling constants. The implementation of a new large flow supersonic jet coupled to the Bruker IFS 125 HR spectrometer at the infrared AILES beamline of the French synchrotron SOLEIL (Jet-AILES) enabled us to record first jet-cooled Fourier transform infrared spectra of oxirane-water complexes at different resolutions down to 0.2 cm(-1). Rovibrational parameters and a lower bound of the predissociation lifetime of 25 ps for the v(OH)(b) = 1 state have been derived from the rovibrational analysis of the ν(OH)(b) band contour recorded at respective rotational temperatures of 12 K (Jet-AILES) and 35 K (LADIR jet).

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.

Vibration analysis of rotor blades with an attached concentrated mass

NASA Technical Reports Server (NTRS)

Murthy, V. R.; Barna, P. S.

1977-01-01

The effect of an attached concentrated mass on the dynamics of helicopter rotor blades is determined. The point transmission matrix method was used to define, through three completely automated computer programs, the natural vibrational characteristics (natural frequencies and mode shapes) of rotor blades. The problems of coupled flapwise bending, chordwise bending, and torsional vibration of a twisted nonuniform blade and its special subcase pure torsional vibration are discussed. The orthogonality relations that exist between the natural modes of rotor blades with an attached concentrated mass are derived. The effect of pitch, rotation, and point mass parameters on the collective, cyclic, scissor, and pure torsional modes of a seesaw rotor blade is determined.

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.

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

Experimental and Computational Analysis of Modes in a Partially Constrained Plate

DTIC Science & Technology

2004-03-01

way to quantify a structure. One technique utilizing an energy method is the Statistical Energy Analysis (SEA). The SEA process involves regarding...B.R. Mace. “ Statistical Energy Analysis of Two Edge- Coupled Rectangular Plates: Ensemble Averages,” Journal of Sound and Vibration, 193(4): 793-822

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.

Three-dimensional finite element analysis of acoustic instability of solid propellant rocket motors

NASA Technical Reports Server (NTRS)

Hackett, R. M.; Juruf, R. S.

1976-01-01

A three dimensional finite element solution of the acoustic vibration problem in a solid propellant rocket motor is presented. The solution yields the natural circular frequencies of vibration and the corresponding acoustic pressure mode shapes, considering the coupled response of the propellant grain to the acoustic oscillations occurring in the motor cavity. The near incompressibility of the solid propellant is taken into account in the formulation. A relatively simple example problem is solved in order to illustrate the applicability of the analysis and the developed computer code.

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.

Local Environment and Interactions of Liquid and Solid Interfaces Revealed by Spectral Line Shape of Surface Selective Nonlinear Vibrational Probe

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

Chen, Shun-Li; Fu, Li; Chase, Zizwe A.

Vibrational spectral lineshape contains important detailed information of molecular vibration and reports its specific interactions and couplings to its local environment. In this work, recently developed sub-1 cm-1 high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) was used to measure the -C≡N stretch vibration in the 4-n-octyl-4’-cyanobiphenyl (8CB) Langmuir or Langmuir-Blodgett (LB) monolayer as a unique vibrational probe, and the spectral lineshape analysis revealed the local environment and interactions at the air/water, air/glass, air/calcium fluoride and air/-quartz interfaces for the first time. The 8CB Langmuir or LB film is uniform and the vibrational spectral lineshape of its -C≡N group hasmore » been well characterized, making it a good choice as the surface vibrational probe. Lineshape analysis of the 8CB -C≡N stretch SFG vibrational spectra suggests the coherent vibrational dynamics and the structural and dynamic inhomogeneity of the -C≡N group at each interface are uniquely different. In addition, it is also found that there are significantly different roles for water molecules in the LB films on different substrate surfaces. These results demonstrated the novel capabilities of the surface nonlinear spectroscopy in characterization and in understanding the specific structures and chemical interactions at the liquid and solid interfaces in general.« less

Terahertz laser spectroscopy of the water dimer intermolecular vibrations. I. (D2O)2

NASA Astrophysics Data System (ADS)

Braly, L. B.; Cruzan, J. D.; Liu, K.; Fellers, R. S.; Saykally, R. J.

2000-06-01

Terahertz laser VRT spectra of the water dimer consisting of 731 transitions measured with an average precision of 2 MHz and involving four (D2O)2 intermolecular vibrations (one previously published) have been measured between 65 and 104 cm-1. The precisely determined energy level patterns differ both qualitatively and quantitatively from the predictions of several dimer potentials tested, and reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by standard normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as among different vibrations. Particularly, the 83 cm-1 (acceptor wag) and 90 cm-1 (D2O)2 (acceptor twist) vibrations interact through a Coriolis perturbation. These spectra provide the basis for our recent determination of the water pair potential. The corresponding data set for (H2O)2 is presented in an accompanying paper.

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.

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.

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.

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.

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.

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.

Free vibration analysis of composite railway wheels

NASA Astrophysics Data System (ADS)

Ganesan, N.; Ramesh, T. C.

1992-02-01

Composite materials have been finding increasing applications in the field of transportation. A U.S.A. patent suggesting the use of composite materials for railway wheels is the basis for this paper. In thispaper, the natural vibrations of railway wheels made of composite materials have been theoretically estimated by the finite element method and compared with those in wheels made of steel. A thick conical shell element with displacements in the axial, radial and circumferential directions has been used in the analysis. This element brings out the coupling between the different modes of vibration, and this aspect is important in the dynamic analysis of composite wheels. Three geometries of wheels and two materials (Kevlar-epoxy and graphite-epoxy) have been used in the study. For each of these materials, two fiber orientations (radial and circumferential) have been taken up and their natural frequencies determined.

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.

Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study.

PubMed

Piech, Krzysztof; Bally, Thomas; Ichino, Takatoshi; Stanton, John

2014-02-07

The electronic and vibrational absorption spectra of the radical anion and cation of p-benzoquinone (PBQ) in an Ar matrix between 500 and 40,000 cm(-1) are presented and discussed in detail. Of particular interest is the radical cation, which shows very unusual spectroscopic features that can be understood in terms of vibronic coupling between the ground and a very low-lying excited state. The infrared spectrum of PBQ˙(+) exhibits a very conspicuous and complicated pattern of features above 1900 cm(-1) that is due to this electronic transition, and offers an unusually vivid demonstration of the effects of vibronic coupling in what would usually be a relatively simple region of the electromagnetic spectrum associated only with vibrational transitions. As expected, the intensities of most of the IR transitions leading to levels that couple the ground to the very low-lying first excited state of PBQ˙(+) increase by large factors upon ionization, due to "intensity borrowing" from the D0 → D1 electronic transition. A notable exception is the antisymmetric C=O stretching vibration, which contributes significantly to the vibronic coupling, but has nevertheless quite small intensity in the cation spectrum. This surprising feature is rationalized on the basis of a simple perturbation analysis.

Coupled analysis of high and low frequency resonant ultrasound spectroscopy: Application to the detection of defects in ceramic balls

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

Deneuville, Francois; Duquennoy, Marc; Ouaftouh, Mohammadi

2009-05-15

A coupled analysis of high and low frequency resonant ultrasound spectroscopy of spheroidal modes is presented in this paper. Experimentally, by using an ultrasonic probe for the excitation (piezoelectric transducer) and a heterodyne optic probe for the receiver (interferometer), it was possible to take spectroscopic measurements of spheroidal vibrations over a large frequency range of 100 kHz-45 MHz in a continuous regime. This wide analysis range enabled variations in velocity due to the presence of defects to be differentiated from the inherent characteristics of the balls and consequently, it offers the possibility of detecting cracks independently of production variations. Thismore » kind of defect is difficult to detect because the C-shaped surface crack is very small and narrow (500x5 {mu}m{sup 2}), and its depth does not exceed 50 {mu}m. The proposed methodology can excite spheroidal vibrations in the ceramic balls and detect such vibrations over a large frequency range. On the one hand, low frequency resonances are used in order to estimate the elastic coefficients of the balls according to various inspection depths. This method has the advantage of providing highly accurate evaluations of the elastic coefficients over a wide frequency range. On the other hand, high frequency vibrations are considered because they are similar to the surface waves propagating in the surface zone of the ceramic balls and consequently can be used to detect C-crack defects.« less

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.

Finite-element analysis of vibrational modes in piezoelectric ceramic disks.

PubMed

Kunkel, H A; Locke, S; Pikeroen, B

1990-01-01

The natural vibrational modes of axially symmetric piezoelectric ceramic disks have been calculated by the finite-element method. The disks are of the type used as active elements in compressional wave ultrasonic transducers, and are electrically polarized in thickness with full electrodes on the disk's major faces. To optimize disk geometry for ultrasonic transducer application, the dependence of the vibrational modes on the disk diameter-to-thickness ratio for ratios from 0.2 (a tall cylinder) to 10.0 (a thin disk) has been studied. Series and parallel resonance frequencies for each of the modes are determined through an eigenfrequency analysis, and effective electromechanical coupling coefficients are calculated. The modal displacement fields in the disk are calculated to determine the physical nature of each mode. An analysis of the complete spectrum of piezoelectrically active modes as a function of diameter-thickness ratio is presented for the ceramic PZT-5H, including and identification of radial, edge, length expander, thickness shear, and thickness extensional vibrations. From this analysis, optimal diameter-to-thickness ratios for good transducer performance are discussed.

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.

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.

Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods

NASA Astrophysics Data System (ADS)

Kumar, Amarendra; Narayan, Vijay; Prasad, Onkar; Sinha, Leena

2012-08-01

Quantum chemical calculations of energies, dipole moment, polarizability, hyperpolarizability and vibrational wavenumbers of Azelaic acid (AZA) were carried out by using ab initio HF and B3LYP methods with 6-311++G(d,p) basis set. Hydrogen-bonded dimer of AZA, optimized by counterpoise correction, has also been studied by HF and B3LYP at the 6-311++G(d,p) level and the effects of molecular association through Osbnd H⋯O hydrogen bonding have been discussed. A complete vibrational analysis of AZA has been performed and assignments are made on the basis of potential energy distribution. The comparisons and assignments of the vibrational frequencies indicate that the experimental spectra also correspond acceptably with those of theoretically simulated spectra except the hydrogen-bonded coupled infrared vibrations.

Local vibrations in disordered solids studied via single-molecule spectroscopy: Comparison with neutron, nuclear, Raman scattering, and photon echo data

NASA Astrophysics Data System (ADS)

Vainer, Yu. G.; Naumov, A. V.; Kador, L.

2008-06-01

The energy spectrum of low-frequency vibrational modes (LFMs) in three disordered organic solids—amorphous polyisobutylene (PIB), toluene and deuterated toluene glasses, weakly doped with fluorescent chromophore molecules of tetra-tert-butylterrylene (TBT) has been measured via single-molecule (SM) spectroscopy. Analysis of the individual temperature dependences of linewidths of single TBT molecules allowed us to determine the values of the vibrational mode frequencies and the SM-LFM coupling constants for vibrations in the local environment of the molecules. The measured LFM spectra were compared with the “Boson peak” as measured in pure PIB by inelastic neutron scattering, in pure toluene glass by low-frequency Raman scattering, in doped toluene glass by nuclear inelastic scattering, and with photon echo data. The comparative analysis revealed close agreement between the spectra of the local vibrations as measured in the present study and the literature data of the Boson peak in PIB and toluene. The analysis has also the important result that weak doping of the disordered matrices with nonpolar probe molecules whose chemical composition is similar to that of the matrix molecules does not influence the observed vibrational dynamics markedly. The experimental data displaying temporal stability on the time scale of a few hours of vibrational excitation parameters in local surroundings was obtained for the first time both for polymer and molecular glass.

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.

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

Acoustic Mode Hybridization in a Single Dimer of Gold Nanoparticles.

PubMed

Girard, Adrien; Gehan, Hélène; Mermet, Alain; Bonnet, Christophe; Lermé, Jean; Berthelot, Alice; Cottancin, Emmanuel; Crut, Aurélien; Margueritat, Jérémie

2018-06-13

The acoustic vibrations of single monomers and dimers of gold nanoparticles were investigated by measuring for the first time their ultralow-frequency micro-Raman scattering. This experiment provides access not only to the frequency of the detected vibrational modes but also to their damping rate, which is obscured by inhomogeneous effects in measurements on ensembles of nano-objects. This allows a detailed analysis of the mechanical coupling occurring between two close nanoparticles (mediated by the polymer surrounding them) in the dimer case. Such coupling induces the hybridization of the vibrational modes of each nanoparticle, leading to the appearance in the Raman spectra of two ultralow-frequency modes corresponding to the out-of-phase longitudinal and transverse (with respect to the dimer axis) quasi-translations of the nanoparticles. Additionally, it is also shown to shift the frequency of the quadrupolar modes of the nanoparticles. Experimental results are interpreted using finite-element simulations, which enable the unambiguous identification of the detected modes and despite the simplifications made lead to a reasonable reproduction of their measured frequencies and quality factors. The demonstrated feasibility of low-frequency Raman scattering experiments on single nano-objects opens up new possibilities to improve the understanding of nanoscale vibrations with this technique being complementary with single nano-object time-resolved spectroscopy as it gives access to different vibrational modes.

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.

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.

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.

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.

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.

Pump Coupling & Motor bearing damage detection using Condition Monitoring at DTPS

NASA Astrophysics Data System (ADS)

Bari, H. M.; Deshpande, A. A.; Jalkote, P. S.; Patil, S. S.

2012-05-01

This paper shares a success story out of the implementation of Co-ordinated Condition Monitoring techniques at DTPS, wherein imminent Mis-alignment of HT auxiliary BFP - 1B and Motor bearing failure of ID FAN - 1B was diagnosed. On 30/12/2010, Booster Pump DE horizontal reading increased from 4.8 to 5.1 and then upto 5.9 mm/sec. It was suspected that Booster pump was mis-aligned with Motor. To confirm misalignment, Phase Analysis was also done which showed that Coupling phase difference was 180 Degrees. Vibration & Phase Analysis helped in diagnosing the exact root cause of abnormity in advance, saving plant from huge losses which could have caused total cost of £ 104,071. On 06/01/2011, ID fan 1B Motor NDE & DE horizontal vibration readings deviated from 0.5 to 0.8 and 0.6 to 0.8 mm/sec (RMS) respectively. Noise level increased from 99.1 to 101.9 db. It was suspected that Motor bearings had loosened over the shaft. Meanwhile, after opening of Motor, Inner race of NDE side was found cracked and loosened over the shaft. Vibration Analysis & Noise Monitoring helped in diagnosing the exact root cause of abnormity in advance, saving plant from huge losses which could have caused total cost of £ 308,857.

A study of vibrational spectra and investigations of charge transfer and chemical bonding features of 2-chloro benzimidazole based on DFT computations

NASA Astrophysics Data System (ADS)

Muthunatesan, S.; Ragavendran, V.

2015-01-01

Benzimidazoles are bicyclic heteroatomic molecules. Polycyclic heteroatomic molecules have extensive coupling of different modes leading to strong coupling of force constants associated with the various chemical bonds of the molecules. To carry out a detailed vibrational spectroscopic analysis of such a bicyclic heteroatomic molecule, FT-IR and FT-Raman spectra of 2-chloro benzimidazole (CBZ) have been recorded in the condensed phase. Density Functional Theory calculations in the B3LYP/6-31G* level have been carried out to determine the optimized geometry and vibrational frequencies. In order to obtain a close agreement between theoretical and observed frequencies and hence to perform a reliable assignment, the theoretical DFT force field was transformed from Cartesian to local symmetry co-ordinates and then scaled empirically using SQM methodology. The SQM treatment resulted in a RMS deviation of 9.4 cm-1. For visual comparison, the observed and calculated spectra are presented on a common wavenumber scale. From the NBO analysis, the electron density (ED) charge transfers in the σ* and π* antibonding orbitals and second order delocalization energies E(2) confirms the occurrence of intramolecular charge transfer (ICT) within the molecule. The calculated Homo and Lumo energies show that charge transfer occurs within the molecule. The results obtained from the vibrational, NBO and HOMO-LUMO analyses have been properly tabulated.

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.

Multidisciplinary optimization of a controlled space structure using 150 design variables

NASA Technical Reports Server (NTRS)

James, Benjamin B.

1993-01-01

A controls-structures interaction design method is presented. The method coordinates standard finite-element structural analysis, multivariable controls, and nonlinear programming codes and allows simultaneous optimization of the structure and control system of a spacecraft. Global sensitivity equations are used to account for coupling between the disciplines. Use of global sensitivity equations helps solve optimization problems that have a large number of design variables and a high degree of coupling between disciplines. The preliminary design of a generic geostationary platform is used to demonstrate the multidisciplinary optimization method. Design problems using 15, 63, and 150 design variables to optimize truss member sizes and feedback gain values are solved and the results are presented. The goal is to reduce the total mass of the structure and the vibration control system while satisfying constraints on vibration decay rate. Incorporation of the nonnegligible mass of actuators causes an essential coupling between structural design variables and control design variables.

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

Li, Zhiying; Heller, Eric J.; Krems, Roman V.

We explore the collision dynamics of complex hydrocarbon molecules (benzene, coronene, adamantane, and anthracene) containing carbon rings in a cold buffer gas of {sup 3}He. For benzene, we present a comparative analysis of the fully classical and fully quantum calculations of elastic and inelastic scattering cross sections at collision energies between 1 and 10 cm{sup −1}. The quantum calculations are performed using the time-independent coupled channel approach and the coupled-states approximation. We show that the coupled-states approximation is accurate at collision energies between 1 and 20 cm{sup −1}. For the classical dynamics calculations, we develop an approach exploiting the rigiditymore » of the carbon rings and including low-energy vibrational modes without holonomic constraints. Our results illustrate the effect of the molecular shape and the vibrational degrees of freedom on the formation of long-lived resonance states that lead to low-temperature clustering.« less

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

A modified variational method for nonlinear vibration analysis of rotating beams including Coriolis effects

NASA Astrophysics Data System (ADS)

Tian, Jiajin; Su, Jinpeng; Zhou, Kai; Hua, Hongxing

2018-07-01

This paper presents a general formulation for nonlinear vibration analysis of rotating beams. A modified variational method combined with a multi-segment partitioning technique is employed to derive the free and transient vibration behaviors of the rotating beams. The strain energy and kinetic energy functional are formulated based on the order truncation principle of the fully geometrically nonlinear beam theory. The Coriolis effects as well as nonlinear effects due to the coupling of bending-stretching, bending-twist and twist-stretching are taken into account. The present method relaxes the need to explicitly meet the requirements of the boundary conditions for the admissible functions, and allows the use of any linearly independent, complete basis functions as admissible functions for rotating beams. Moreover, the method is readily used to deal with the nonlinear transient vibration problems for rotating beams subjected to dynamic loads. The accuracy, convergence and efficiency of the proposed method are examined by numerical examples. The influences of Coriolis and centrifugal forces on the vibration behaviors of the beams with various hub radiuses and slenderness ratios and rotating at different angular velocities are also investigated.

Vibration control in smart coupled beams subjected to pulse excitations

NASA Astrophysics Data System (ADS)

Pisarski, Dominik; Bajer, Czesław I.; Dyniewicz, Bartłomiej; Bajkowski, Jacek M.

2016-10-01

In this paper, a control method to stabilize the vibration of adjacent structures is presented. The control is realized by changes of the stiffness parameters of the structure's couplers. A pulse excitation applied to the coupled adjacent beams is imposed as the kinematic excitation. For such a representation, the designed control law provides the best rate of energy dissipation. By means of a stability analysis, the performance in different structural settings is studied. The efficiency of the proposed strategy is examined via numerical simulations. In terms of the assumed energy metric, the controlled structure outperforms its passively damped equivalent by over 50 percent. The functionality of the proposed control strategy should attract the attention of practising engineers who seek solutions to upgrade existing damping systems.

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

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

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

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

Vibrational assignment of aluminum(III) Tris-acetylacetone

NASA Astrophysics Data System (ADS)

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

2002-10-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

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

Displacement and frequency analyses of vibratory systems

NASA Astrophysics Data System (ADS)

Low, K. H.

1995-02-01

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

Vibration 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).

Dynamic behaviour analysis of an energy accumulation system comprising a composite flywheel

NASA Astrophysics Data System (ADS)

Portnov, G. G.; Kulakov, V. L.; Barinov, I. N.

1994-01-01

A simple system for energy accumulation comprising a rim and a massive shaft with elastic couplings was considered; the shaft runs in elastic damping bearings. Forced vibrations of the flywheel system induced by linear and angular eccentricities of composite rim were investigated. The effect of variation of different parameters of the system (stiffness of bearings, viscous friction coefficients of bearings, mass and moment of inertia of the shaft) on damping of radial and angular forced vibrations has been estimated.

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.

The intermolecular vibrations of the water dimer

NASA Astrophysics Data System (ADS)

Braly, Linda Beth

Terahertz laser spectra of water dimer intermolecular vibrations have yielded four (D2O)2 VRT bands (one previously published) and five (H2O)2 VRT bands measured with ca. 1 MHz precision and assigned between 65 and 142 cm-1. The results differ both qualitatively and quantitatively from the predictions of popular, effective pair potentials tested. The spectra also reveal an ordering of the intermolecular vibrations which differs dramatically from that predicted by a normal mode analysis. Strong coupling is indicated between the low barrier tunneling motions and the intermolecular vibrations as well as between different vibrations. In particular the 102.1 cm-1 (H2O) 2 band assigned as the acceptor wag has two types of perturbations. The first perturbation involves coupling of two of the tunneling components between the Ka = 0 and 1 levels similar to that occurring in ground state between Ka = 0 and 1 levels. This is treated with an effective Coriolis coupling constant. These seconded perturbation involves one tunneling component with Ka = 1 coupling with a tunneling component with Ka = 0 of the 108 cm-1 acceptor twist vibration. A more detailed Coriolis coupling scheme is required to deperturb these states. Also it is indicated that the 103.1 cm-1 (H2O) 2 band assigned as the donor in-plane bend is coupled to the acceptor wag resulting in a lowering of the in-plane bend frequency and raising the acceptor wag frequency. In addition the 141 cm-1 (H2O)2 band shows perturbations which could not be. resolved at this time. And the 83 cm-1 (acceptor wag) and 90 cm-1 (D2O)2 (acceptor twist) band are perturbing one another through a Coriolis interaction. A subset of the (D2O)2 data have been used in an ongoing effort to determine an accurate IPS via least-squares fitting to an analytical form. The results from the most recent fit which produced VRT(ASP- W)II are presented and compared with the experimental data. The IPS was used to calculate the eigenstates of the water dimer using the Split Wigner Psuedo Spectral (SWPS) method. The transitions could then be calculated from the eigenstates. This improved IPS reproduces the dominant features of the VRT spectra quite well. The ultimate goal of this water dimer research project is to determine the ``perfect'' water pair potential from the spectroscopic data.

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.

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.

Benefits of Spacecraft Level Vibration Testing

NASA Technical Reports Server (NTRS)

Gordon, Scott; Kern, Dennis L.

2015-01-01

NASA-HDBK-7008 Spacecraft Level Dynamic Environments Testing discusses the approaches, benefits, dangers, and recommended practices for spacecraft level dynamic environments testing, including vibration testing. This paper discusses in additional detail the benefits and actual experiences of vibration testing spacecraft for NASA Goddard Space Flight Center (GSFC) and Jet Propulsion Laboratory (JPL) flight projects. JPL and GSFC have both similarities and differences in their spacecraft level vibration test approach: JPL uses a random vibration input and a frequency range usually starting at 5 Hz and extending to as high as 250 Hz. GSFC uses a sine sweep vibration input and a frequency range usually starting at 5 Hz and extending only to the limits of the coupled loads analysis (typically 50 to 60 Hz). However, both JPL and GSFC use force limiting to realistically notch spacecraft resonances and response (acceleration) limiting as necessary to protect spacecraft structure and hardware from exceeding design strength capabilities. Despite GSFC and JPL differences in spacecraft level vibration test approaches, both have uncovered a significant number of spacecraft design and workmanship anomalies in vibration tests. This paper will give an overview of JPL and GSFC spacecraft vibration testing approaches and provide a detailed description of spacecraft anomalies revealed.

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.

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.

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.

Multidimensional intermolecular dynamics from tunable far-infrared laser spectroscopy: Angular-radial coupling in the intermolecular potential of argon--H sub 2 O

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

Cohen, R.C.; Saykally, R.J.

1991-12-01

Five new vibration--rotation tunneling states of Ar--H{sub 2}O (the {Sigma} and {Pi}(1{sub 11}) and the {Sigma} and {Pi}(2{sub 12}) internal rotor states and the {ital n}=1, {Pi}(1{sub 01}) stretching-internal rotor combination level) have been accessed by tunable far-infrared laser spectroscopy. The measured vibrational band origins of transitions to these states are within 2% of predictions made from an anisotropic three-dimensional intermolecular potential surface (denoted AW1) derived from a nonlinear least-squares fit to previous far-infrared spectral data (J. Phys. Chem. {bold 94}, 7991(1990)). This provides strong evidence that the AW1 intermolecular potential surface incorporates much of the essential physics of themore » intermolecular forces which bind the cluster. However, larger deviations from the predictions are found in the observed rotational term values. A detailed analysis of these deviations clearly demonstrates the need for even stronger angular-radial coupling in the Ar--H{sub 2}O intermolecular potential than the already substantial coupling present in the AW1 surface. Specifically, the presently observed {Sigma}(1{sub 11}) state and the {ital n}=1, {Sigma}(0{sub 00}) state are found to be approximately 65:35 mixtures of the basis states which represent pure stretching and internal rotation. The {Sigma}(2{sub 12}) level is found to be mixed just as strongly with {ital n}=2, {Sigma}(1{sub 01}). The formalism for accurately deperturbing vibration--rotation--tunneling states coupled by Coriolis interactions used in the above analysis is presented.« less

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.

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.

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.

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.

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.

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.

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.

Millimetre Wave Rotational Spectrum of Glycolic Acid

NASA Technical Reports Server (NTRS)

Kisiel, Zbigniew; Pszczolkowski, Lech; Bialkowska-Jaworska, Ewa; Charnley, Steven B.

2016-01-01

The pure rotational spectrum of glycolic acid, CH2OHCOOH, was studied in the region 115-318 GHz. For the most stable SSC conformer, transitions in all vibrational states up to 400 cm(exp -1) have been measured and their analysis is reported. The data sets for the ground state, v21 = 1, and v21 = 2 have been considerably extended. Immediately higher in vibrational energy are two triads of interacting vibrational states and their rotational transitions have been assigned and successfully fitted with coupled Hamiltonians accounting for Fermi and Coriolis resonances. The derived energy level spacings establish that the vibrational frequency of the v21 mode is close to 100 cm(exp -1). The existence of the less stable AAT conformer in the near 50 C sample used in our experiment was also confirmed and additional transitions have been measured.

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.

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.

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

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.

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.

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.

Local vibration enhanced the efficacy of passive exercise on mitigating bone loss in hindlimb unloading rats

NASA Astrophysics Data System (ADS)

Huang, Yunfei; Luan, Huiqin; Sun, Lianwen; Bi, Jingfang; Wang, Ying; Fan, Yubo

2017-08-01

Spaceflight induced bone loss is seriously affecting astronauts. Mechanical stimulation from exercise has been shown to restrain bone resorption as well as improve bone formation. Current exercise countermeasures in space cannot prevent it completely. Active exercise may convert to passive exercise in some ways because of the loss of gravity stimulus and inertia of exercise equipment. The aim of this study was to compare the efficacy of passive exercise or/and local vibration on counteracting the deterioration of the musculoskeletal system, including bone, muscle and tendons in tail-suspended rats. We hypothesized that local vibration could enhance the efficacy of passive exercise on countering bone loss. 40 Sprague Dawley rats were randomly distributed into five groups (n = 8, each): tail-suspension (TS), TS+35 Hz vibration (TSV), TS + passive exercise (TSP), TS + passive exercise coupled with 35 Hz vibration (TSPV) and control (CON). Passive exercise or/and local vibration was performed for 21 days. On day 0 and 21, bone mineral density (BMD) was observed by dual energy X-ray absorptiometry (DXA), and trabecular microstructure was evaluated by microcomputer tomography (μCT) analysis in vivo. Mechanical properties of tibia and tendon were determined by a mechanical testing system. Soleus and bone ash weight was tested by an electronic balance. Results showed that the passive exercise could not prevent the decrease of trabecular BMD, microstructure and bone ash weight induced by TS, whereas vibration and passive exercise coupled with local vibration (PV) could. Biomechanical properties of the tibia and tendon in TSPV group significantly increased compared with TS group. In summary, PV in this study was the best method in preventing weightlessness-induced bone loss. Consistent with our hypothesis, local vibration partly enhanced the effect of passive exercise. Furthermore, this study will be useful in improving countermeasure for astronauts, but also for the rehabilitation of disused or aged osteoporosis.

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.

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.

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

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.

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.

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.

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.

The Shock and Vibration Digest. Volume 14, Number 12

DTIC Science & Technology

1982-12-01

to evaluate the uses of statistical energy analysis for determining sound transmission performance. Coupling loss factors were mea- sured and compared...measurements for the artificial (Also see No. 2623) cracks in mild-steel test pieces. 82-2676 Ihprovement of the Method of Statistical Energy Analysis for...eters, using a large number of free-response time histories In the application of the statistical energy analysis theory simultaneously in one analysis

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.

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.

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.

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.

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.

DFT, FT-IR, FT-Raman and NMR studies of 4-(substituted phenylazo)-3,5-diacetamido-1H-pyrazoles

NASA Astrophysics Data System (ADS)

Kınalı, Selin; Demirci, Serkan; Çalışır, Zühre; Kurt, Mustafa; Ataç, Ahmet

2011-05-01

We present a detailed analysis of the structural and vibrational spectra of some novel azo dyes. 2-(Substituted phenylazo)malononitriles were synthesized by the coupling reaction of the diazonium salts, which were prepared with the use of various aniline derivatives with malononitrile, and then 4-(substituted phenylazo)-3,5-diamino-1H-pyrazole azo dyes were obtained via the ring closure of the azo compounds with hydrazine monohydrate. The experimental and theoretical vibrational spectra of azo dyes were studied. The structural and spectroscopic analysis of the molecules were carried out by using Becke's three-parameters hybrid functional (B3LYP) and density functional harmonic calculations. The 1H nuclear magnetic resonance (NMR) chemical shifts of the azo dye molecules were calculated using the gauge-invariant-atomic orbital (GIAO) method. The calculated vibrational wavenumbers and chemical shifts were compared with the experimental data of the molecules.

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.

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.

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.

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.

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.

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.

Derivation of Design Loads and Random Vibration specifications for Spacecraft Instruments and Sub-Units

NASA Astrophysics Data System (ADS)

Fransen, S.; Yamawaki, T.; Akagi, H.; Eggens, M.; van Baren, C.

2014-06-01

After a first estimation based on statistics, the design loads for instruments are generally estimated by coupled spacecraft/instrument sine analysis once an FE-model of the spacecraft is available. When the design loads for the instrument have been derived, the next step in the process is to estimate the random vibration environment at the instrument base and to compute the RMS load at the centre of gravity of the instrument by means of vibro-acoustic analysis. Finally the design loads of the light-weight sub-units of the instrument can be estimated through random vibration analysis at instrument level, taking into account the notches required to protect the instrument interfaces in the hard- mounted random vibration test. This paper presents the aforementioned steps of instrument and sub-units loads derivation in the preliminary design phase of the spacecraft and identifies the problems that may be encountered in terms of design load consistency between low-frequency and high-frequency environments. The SpicA FAR-infrared Instrument (SAFARI) which is currently developed for the Space Infrared Telescope for Cosmology and Astrophysics (SPICA) will be used as a guiding example.

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

PubMed

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

2016-04-22

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

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.

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.

Theoretical Study on Sers of Wagging Vibrations of Benzyl Radical Adsorbed on Silver Electrodes

NASA Astrophysics Data System (ADS)

Wu, De-Yin; Chen, Yan-Li; Tian, Zhong-Qun

2016-06-01

Electrochemical surface-enhanced Raman spectroscopy (EC-SERS) has been used to characterize adsorbed species widely but reaction intermediates rarely on electrodes. In previous studies, the observed SERS signals were proposed from surface benzyl species due to the electrochemical reduction of benzyl chloride on silver electrode surfaces. In this work, we reinvestigated the vibrational assignments of benzyl chloride and benzyl radical as the reaction intermediate. On the basis of density functional theoretical (DFT) calculations and normal mode analysis, our systematical results provide more reasonable new assignments for both surface species. Further, we investigated adsorption configurations, binding energies, and vibrational frequency shifts of benzyl radical interacting with silver. Our calculated results show that the wagging vibration displays significant vibrational frequency shift, strong coupling with some intramolecular modes in the phenyl ring, and significant changes in intensity of Raman signals. The study also provides absolute Raman intensity in benzyl halides and discuss the enhancement effect mainly due to the binding interaction with respect to free benzyl radical.

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

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

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

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

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.

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.

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

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.

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.

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.

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.

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.

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.

Investigation of free vibration analysis of functionally graded annular piezoelectric plate using COMSOL

NASA Astrophysics Data System (ADS)

Sharma, Trivendra Kumar; Parashar, Sandeep Kumar

2018-05-01

In the present age functionally graded piezoelectric materials (FGPM) are increasingly being used as actuators and sensors. In spite of the fact that the piezoelectric coupling coefficient for shear d15 has much higher value in comparison to d31 or d33, it is far less utilized for the applications due to complex nature of the shear induced vibrations. In this work three dimensional free vibration analysis of functionally graded piezoelectric material annular plates with free-free boundary conditions is presented. The annular FGPM plate is polarized along the radial direction while the electric field is applied along the thickness direction inducing flexural vibrations of the plate due to d15 effect of functionally graded piezoelectric materials. The material properties are assumed to have a power law variation along the thickness. COMSOL Multiphysics is used to obtain the natural frequencies and modeshapes. Detailed numerical study is performed to ascertain the effect of variation in power law index and various geometrical parameters. The results presented shall be helpful in optimizing the existing applications and developing the new ones utilizing the FGPM annular plates.

Vibrational normal modes of diazo-dimedone: A comparative study by Fourier infrared/Raman spectroscopies and conformational analysis by MM/QM

NASA Astrophysics Data System (ADS)

Téllez Soto, C. A.; Ramos, J. M.; Rianelli, R. S.; de Souza, M. C. B. V.; Ferreira, V. F.

2007-07-01

The 2-diazo-5,5-dimethyl-cyclohexane-1,3-dione ( 3) was synthesized and the FT-IR/Raman spectra were measured with the purpose of obtain a full assignment of the vibrational modes. Singular aspects concerning the -C dbnd N dbnd N oscillator are discussed in view of two strong bands observed in the region of 2300-2100 cm -1 in both, Infrared and Raman spectra. The density functional theory (DFT) was used to obtain the geometrical structure and for assisting in the vibrational assignment joint to the traditional normal coordinate analysis (NCA). The observed wavenumbers at 2145 (IR), 2144(R) are assigned as the coupled ν(N dbnd N) + ν(C dbnd N) vibrational mode with higher participation of the N dbnd N stretching. A 2188 cm -1 (IR) and at 2186 cm -1 (R) can be assigned as a overtone of one of ν(CC) normal mode or to a combination band of the fundamentals δ(CCH) found at 1169 cm -1 and the δ (CC dbnd N) found at 1017 cm -1 enhanced by Fermi resonance.

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.

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.

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.

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.

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.

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.

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.

Aeroelastic analysis for helicopter rotors with blade appended pendulum vibration absorbers. Mathematical derivations and program user's manual

NASA Technical Reports Server (NTRS)

Bielawa, R. L.

1982-01-01

Mathematical development is presented for the expanded capabilities of the United Technologies Research Center (UTRC) G400 Rotor Aeroelastic Analysis. This expanded analysis, G400PA, simulates the dynamics of teetered rotors, blade pendulum vibration absorbers and the higher harmonic excitations resulting from prescribed vibratory hub motions and higher harmonic blade pitch control. Formulations are also presented for calculating the rotor impedance matrix appropriate to these higher harmonic blade excitations. This impedance matrix and the associated vibratory hub loads are intended as the rotor blade characteristics elements for use in the Simplified Coupled Rotor/Fuselage Vibration Analysis (SIMVIB). Sections are included presenting updates to the development of the original G400 theory, and material appropriate to the user of the G400PA computer program. This material includes: (1) a general descriptionof the tructuring of the G400PA FORTRAN coding, (2) a detaild description of the required input data and other useful information for successfully running the program, and (3) a detailed description of the output results.

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

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

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.

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.

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).

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. .

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.

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.

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.

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.

Actuating mechanism and design of a cylindrical traveling wave ultrasonic motor using cantilever type composite transducer.

PubMed

Liu, Yingxiang; Chen, Weishan; Liu, Junkao; Shi, Shengjun

2010-04-02

Ultrasonic motors (USM) are based on the concept of driving the rotor by a mechanical vibration excited on the stator via piezoelectric effect. USM exhibit merits such as simple structure, quick response, quiet operation, self-locking when power off, nonelectromagnetic radiation and higher position accuracy. A cylindrical type traveling wave ultrasonic motor using cantilever type composite transducer was proposed in this paper. There are two cantilevers on the outside surface of cylinder, four longitudinal PZT ceramics are set between the cantilevers, and four bending PZT ceramics are set on each outside surface of cantilevers. Two degenerate flexural vibration modes spatially and temporally orthogonal to each other in the cylinder are excited by the composite transducer. In this new design, a single transducer can excite a flexural traveling wave in the cylinder. Thus, elliptical motions are achieved on the teeth. The actuating mechanism of proposed motor was analyzed. The stator was designed with FEM. The two vibration modes of stator were degenerated. Transient analysis was developed to gain the vibration characteristic of stator, and results indicate the motion trajectories of nodes on the teeth are nearly ellipses. The study results verify the feasibility of the proposed design. The wave excited in the cylinder isn't an ideal traveling wave, and the vibration amplitudes are inconsistent. The distortion of traveling wave is generated by the deformation of bending vibration mode of cylinder, which is caused by the coupling effect between the cylinder and transducer. Analysis results also prove that the objective motions of nodes on the teeth are three-dimensional vibrations. But, the vibration in axial direction is minute compared with the vibrations in circumferential and radial direction. The results of this paper can guide the development of this new type of motor.

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.

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.

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.

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.

Analysis of multifunctional piezoelectric metastructures for low-frequency bandgap formation and energy harvesting

NASA Astrophysics Data System (ADS)

Sugino, C.; Erturk, A.

2018-05-01

Vibration-based energy harvesting is a growing field for generating low-power electricity to use in wireless electronic devices, such as the sensor networks used in structural health monitoring applications. Locally resonant metastructures, which are structures that comprise locally resonant metamaterial components, enable bandgap formation at wavelengths much longer than the lattice size, for critical applications such as low-frequency vibration attenuation in flexible structures. This work aims to bridge the domains of energy harvesting and locally resonant metamaterials to form multifunctional structures that exhibit both low-power electricity generation and vibration attenuation capabilities. A fully coupled electromechanical modeling framework is developed for two characteristic systems and their modal analysis is presented. Simulations are performed to explore the vibration and electrical power frequency response maps for varying electrical load resistance, and optimal loading conditions are presented. Case studies are presented to understand the interaction of bandgap formation and energy harvesting capabilities of this new class of multifunctional energy-harvesting locally resonant metastructures. It is shown that useful energy can be harvested from locally resonant metastructures without significantly diminishing their dramatic vibration attenuation in the locally resonant bandgap. Thus, integrating energy harvesters into a locally resonant metastructure enables a new potential for multifunctional locally resonant metastructures that can host self-powered sensors.

Numerical-analytic implementation of the higher-order canonical Van Vleck perturbation theory for the interpretation of medium-sized molecule vibrational spectra.

PubMed

Krasnoshchekov, Sergey V; Isayeva, Elena V; Stepanov, Nikolay F

2012-04-12

Anharmonic vibrational states of semirigid polyatomic molecules are often studied using the second-order vibrational perturbation theory (VPT2). For efficient higher-order analysis, an approach based on the canonical Van Vleck perturbation theory (CVPT), the Watson Hamiltonian and operators of creation and annihilation of vibrational quanta is employed. This method allows analysis of the convergence of perturbation theory and solves a number of theoretical problems of VPT2, e.g., yields anharmonic constants y(ijk), z(ijkl), and allows the reliable evaluation of vibrational IR and Raman anharmonic intensities in the presence of resonances. Darling-Dennison and higher-order resonance coupling coefficients can be reliably evaluated as well. The method is illustrated on classic molecules: water and formaldehyde. A number of theoretical conclusions results, including the necessity of using sextic force field in the fourth order (CVPT4) and the nearly vanishing CVPT4 contributions for bending and wagging modes. The coefficients of perturbative Dunham-type Hamiltonians in high-orders of CVPT are found to conform to the rules of equality at different orders as earlier proven analytically for diatomic molecules. The method can serve as a good substitution of the more traditional VPT2.

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.

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.

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.

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

PubMed

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

2017-05-01

Noisy stimuli, along with linear systems analysis, have proven to be effective for mapping functional neural connections. We explored the use of noisy (10-115 Hz) Achilles tendon vibration to examine somatosensory reflexes in the triceps surae muscles in standing healthy young adults ( n = 8). We also examined the association between noisy vibration and electrical activity recorded over the sensorimotor cortex using electroencephalography. We applied 2 min of vibration and recorded ongoing muscle activity of the soleus and gastrocnemii using surface electromyography (EMG). Vibration amplitude was varied to characterize reflex scaling and to examine how different stimulus levels affected postural sway. Muscle activity from the soleus and gastrocnemii was significantly correlated with the tendon vibration across a broad frequency range (~10-80 Hz), with a peak located at ~40 Hz. Vibration-EMG coherence positively scaled with stimulus amplitude in all three muscles, with soleus displaying the strongest coupling and steepest scaling. EMG responses lagged the vibration by ~38 ms, a delay that paralleled observed response latencies to tendon taps. Vibration-evoked cortical oscillations were observed at frequencies ~40-70 Hz (peak ~54 Hz) in most subjects, a finding in line with previous reports of sensory-evoked γ-band oscillations. Further examination of the method revealed 1 ) accurate reflex estimates could be obtained with <60 s of low-level (root mean square = 10 m/s 2 ) vibration; 2 ) responses did not habituate over 2 min of exposure; and importantly, 3 ) noisy vibration had a minimal influence on standing balance. Our findings suggest noisy tendon vibration is an effective novel approach to characterize somatosensory reflexes during standing. NEW & NOTEWORTHY We applied noisy (10-115 Hz) vibration to the Achilles tendon to examine the frequency characteristics of lower limb somatosensory reflexes during standing. Ongoing muscle activity was coherent with the noisy vibration (peak coherence ~40 Hz), and coherence positively scaled with increases in stimulus amplitude. Our findings suggest that noisy tendon vibration, along with linear systems analysis, is an effective novel approach to study somatosensory reflex actions in active muscles. Copyright © 2017 the American Physiological Society.

Vibration and damping of laminated, composite-material plates including thickness-shear effects

NASA Technical Reports Server (NTRS)

Bert, C. W.; Siu, C. C.

1972-01-01

An analytical investigation of sinusoidally forced vibration of laminated, anisotropic plates including bending-stretching coupling, thickness-shear flexibility, all three types of inertia effects, and material damping is presented. In the analysis the effects of thickness-shear deformation are considered by the use of a shear correction factor K, analogous to that used by Mindlin for homogeneous plates. Two entirely different approaches for calculating the thickness-shear factor for a laminate are presented. Numerical examples indicate that the value of K depends on the layer properties and the stacking sequence of the laminate.

Determination of Young's modulus of individual electrospun nanofibers by microcantilever vibration method

NASA Astrophysics Data System (ADS)

Yuya, Philip A.; Wen, Yongkui; Turner, Joseph A.; Dzenis, Yuris A.; Li, Zheng

2007-03-01

The authors report a technique for measuring Young's modulus of a single electrospun nanofiber using the vibrations of two microcantilevers coupled with the nanofiber. The modulus is calculated from the resonant frequency shift resulting from the nanofiber. Polyacrylonitrile nanofibers (200nm diameter) were collected during electrospinning and wrapped on two similar microcantilevers causing a shift in first resonance from 10.0to19.4kHz. Finite element analysis was used to analyze the frequency shift using images from a scanning electron microscope giving a modulus of the as-spun polyacrylonitrile nanofiber of 26.8GPa.

Integrated multidisciplinary design optimization of rotorcraft

NASA Technical Reports Server (NTRS)

Adelman, Howard M.; Mantay, Wayne R.

1989-01-01

The NASA/Army research plan for developing the logic elements for helicopter rotor design optimization by integrating appropriate disciplines and accounting for important interactions among the disciplines is discussed. The paper describes the optimization formulation in terms of the objective function, design variables, and constraints. The analysis aspects are discussed, and an initial effort at defining the interdisciplinary coupling is summarized. Results are presented on the achievements made in the rotor aerodynamic performance optimization for minimum hover horsepower, rotor dynamic optimization for vibration reduction, rotor structural optimization for minimum weight, and integrated aerodynamic load/dynamics optimization for minimum vibration and weight.

A Modal Analysis of Submerged Composite Plates Using Digital Speckle Pattern Interferometry

DTIC Science & Technology

1991-05-01

the drive point. The underwater mode shapes were slightly deformed compared to the in- air modes which is probably due to modal coupling by the dense...modes according to Leissa. The mode shapes in water are very similar to those in air with a small amount of distortion due to modal coupling by the fluid...and cantilever boundarv conditions is described in this thesis. The vibrations of the plates are studies in air and when Submerged in a water tank to

Torsional actuation with extension-torsion composite coupling and a magnetostrictive actuator

NASA Astrophysics Data System (ADS)

Bothwell, Christopher M.; Chandra, Ramesh; Chopra, Inderjit

1995-04-01

An analytical-experimental study of using magnetostrictive actuators in conjunction with an extension-torsion coupled composite tube to actuate a rotor blade trailing-edge flap to actively control helicopter vibration is presented. Thin walled beam analysis based on Vlasov theory was used to predict the induced twist and extension in a composite tube with magnetostrictive actuation. The study achieved good correlation between theory and experiment. The Kevlar-epoxy systems showed good correlation between measured and predicted twist values.

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

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.

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.

Electronic structure and normal vibrations of the 1-ethyl-3-methylimidazolium ethyl sulfate ion pair.

PubMed

Dhumal, Nilesh R; Kim, Hyung J; Kiefer, Johannes

2011-04-21

Electronic and structural properties of the ion pair 1-ethyl-3-methylimidazolium ethyl sulfate are studied using density functional methods. Three locally stable conformers of the ion pair complex are considered to analyze molecular interactions between its cation and anion. Manifestations of these interactions in the vibrational spectra are discussed and compared with experimental IR and Raman spectroscopy data. NBO analysis and difference electron density coupled with molecular electron density topography are used to interpret the frequency shifts of the normal vibrations of the ion pair, compared to the free anion and cation. Excitation energies of low-lying singlet excited states of the conformers are also studied. The density functional theory results are found to be in a reasonable agreement with experimental UV/vis absorption spectra.

Attenuation of cryocooler induced vibration using multimodal tuned dynamic absorber

NASA Astrophysics Data System (ADS)

Veprik, A.; Babitsky, V.; Tuito, A.

2017-12-01

Modern infrared imagers often rely on low Size, Weight and Power split Stirling linear cryocoolers comprised of side-by-side packed compressor and expander units fixedly mounted upon a common frame and interconnected by the configurable transfer line. Imbalanced reciprocation of moving assemblies generates vibration export in the form of tonal force couple producing angular and translational dynamic responses. Resulting line of sight jitter and dynamic defocusing may affect the image quality. The authors explore the concept of multimodal tuned dynamic absorber, the translational and tilting modal frequencies of which are essentially matched to the driving frequency. Dynamic analysis and full-scale testing show that the dynamic reactions (forces and moments) produced by such a device may effectively attenuate both translational and angular components of cryocooler-induced vibration.

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.

Dynamic analysis for shuttle design verification

NASA Technical Reports Server (NTRS)

Fralich, R. W.; Green, C. E.; Rheinfurth, M. H.

1972-01-01

Two approaches that are used for determining the modes and frequencies of space shuttle structures are discussed. The first method, direct numerical analysis, involves finite element mathematical modeling of the space shuttle structure in order to use computer programs for dynamic structural analysis. The second method utilizes modal-coupling techniques of experimental verification made by vibrating only spacecraft components and by deducing modes and frequencies of the complete vehicle from results obtained in the component tests.

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.

Structural Effects on the Spin Dynamics of Potential Molecular Qubits.

PubMed

Atzori, Matteo; Benci, Stefano; Morra, Elena; Tesi, Lorenzo; Chiesa, Mario; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta

2018-01-16

Control of spin-lattice magnetic relaxation is crucial to observe long quantum coherence in spin systems at reasonable temperatures. Such a control is most often extremely difficult to achieve, because of the coexistence of several relaxation mechanisms, that is direct, Raman, and Orbach. These are not always easy to relate to the energy states of the investigated system, because of the contribution to the relaxation of additional spin-phonon coupling phenomena mediated by intramolecular vibrations. In this work, we have investigated the effect of slight changes on the molecular structure of four vanadium(IV)-based potential spin qubits on their spin dynamics, studied by alternate current (AC) susceptometry. The analysis of the magnetic field dependence of the relaxation time correlates well with the low-energy vibrational modes experimentally detected by time-domain THz spectroscopy. This confirms and extends our preliminary observations on the role played by spin-vibration coupling in determining the fine structure of the spin-lattice relaxation time as a function of the magnetic field, for S = 1 / 2 potential spin qubits. This study represents a step forward in the use of low-energy vibrational spectroscopy as a prediction tool for the design of molecular spin qubits with long-lived quantum coherence. Indeed, quantum coherence times of ca. 4.0-6.0 μs in the 4-100 K range are observed for the best performing vanadyl derivatives identified through this multitechnique approach.

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.

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.

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.

An analysis of thermal stress and gas bending effects on vibrations of compressor rotor stages. [blade torsional rigidity

NASA Technical Reports Server (NTRS)

Chen, L.-T.; Dugundji, J.

1979-01-01

A preliminary study conducted by Kerrebrock et al. (1976) has shown that the torsional rigidity of untwisted thin blades of a transonic compressor can be reduced significantly by transient thermal stresses. The aerodynamic loads have various effects on blade vibration. One effect is that gas bending loads may result in a bending-torsion coupling which may change the characteristics of the torsion and bending vibration of the blade. For a general study of transient-temperature distribution within a rotor stage, a finite-element heat-conduction analysis was developed. The blade and shroud are divided into annular elements. With a temperature distribution obtained from the heat-conduction analysis and a prescribed gas bending load distribution along the blade span, the static deformation and moment distributions of the blade can be solved iteratively using the finite-element method. The reduction of the torsional rigidity of pretwisted blades caused by the thermal stress effect is then computed. The dynamic behavior of the blade is studied by a modified Galerkin's method.

A multiscale-based approach for composite materials with embedded PZT filaments for energy harvesting

NASA Astrophysics Data System (ADS)

El-Etriby, Ahmed E.; Abdel-Meguid, Mohamed E.; Hatem, Tarek M.; Bahei-El-Din, Yehia A.

2014-03-01

Ambient vibrations are major source of wasted energy, exploiting properly such vibration can be converted to valuable energy and harvested to power up devices, i.e. electronic devices. Accordingly, energy harvesting using smart structures with active piezoelectric ceramics has gained wide interest over the past few years as a method for converting such wasted energy. This paper provides numerical and experimental analysis of piezoelectric fiber based composites for energy harvesting applications proposing a multi-scale modeling approach coupled with experimental verification. The multi-scale approach suggested to predict the behavior of piezoelectric fiber-based composites use micromechanical model based on Transformation Field Analysis (TFA) to calculate the overall material properties of electrically active composite structure. Capitalizing on the calculated properties, single-phase analysis of a homogeneous structure is conducted using finite element method. The experimental work approach involves running dynamic tests on piezoelectric fiber-based composites to simulate mechanical vibrations experienced by a subway train floor tiles. Experimental results agree well with the numerical results both for static and dynamic tests.

Performance analysis of a brushless dc motor due to magnetization distribution in a continuous ring magnet

NASA Astrophysics Data System (ADS)

Hur, Jin; Jung, In-Soung; Sung, Ha-Gyeong; Park, Soon-Sup

2003-05-01

This paper represents the force performance of a brushless dc motor with a continuous ring-type permanent magnet (PM), considering its magnetization patterns: trapezoidal, trapezoidal with dead zone, and unbalanced trapezoidal magnetization with dead zone. The radial force density in PM motor causes vibration, because vibration is induced the traveling force from the rotating PM acting on the stator. Magnetization distribution of the PM as well as the shape of the teeth determines the distribution of force density. In particular, the distribution has a three-dimensional (3-D) pattern because of overhang, that is, it is not uniform in axial direction. Thus, the analysis of radial force density required dynamic analysis considering the 3-D shape of the teeth and overhang. The results show that the force density as a source of vibration varies considerably depending on the overhang and magnetization distribution patterns. In addition, the validity of the developed method, coupled 3-D equivalent magnetic circuit network method, with driving circuit and motion equation, is confirmed by comparison of conventional method using 3D finite element method.

Power flow as a complement to statistical energy analysis and finite element analysis

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1987-01-01

Present methods of analysis of the structural response and the structure-borne transmission of vibrational energy use either finite element (FE) techniques or statistical energy analysis (SEA) methods. The FE methods are a very useful tool at low frequencies where the number of resonances involved in the analysis is rather small. On the other hand SEA methods can predict with acceptable accuracy the response and energy transmission between coupled structures at relatively high frequencies where the structural modal density is high and a statistical approach is the appropriate solution. In the mid-frequency range, a relatively large number of resonances exist which make finite element method too costly. On the other hand SEA methods can only predict an average level form. In this mid-frequency range a possible alternative is to use power flow techniques, where the input and flow of vibrational energy to excited and coupled structural components can be expressed in terms of input and transfer mobilities. This power flow technique can be extended from low to high frequencies and this can be integrated with established FE models at low frequencies and SEA models at high frequencies to form a verification of the method. This method of structural analysis using power flo and mobility methods, and its integration with SEA and FE analysis is applied to the case of two thin beams joined together at right angles.

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.

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).

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.

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.

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.

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

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

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.

Complex modal analysis of transverse free vibrations for axially moving nanobeams based on the nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Wang, Jing; Shen, Huoming; Zhang, Bo; Liu, Juan; Zhang, Yingrong

2018-07-01

We investigate the transverse free vibration behaviour of axially moving nanobeams based on the nonlocal strain gradient theory. Considering the geometrical nonlinearity, which takes the form of von Kármán strains, the coupled plane motion equations and related boundary conditions of a new size-dependent beam model of Euler-Bernoulli type are developed using the generalized Hamilton principle. Using the simply supported axially moving nanobeams as an example, the complex modal analysis method is adopted to solve the governing equation; then, the effect of the order of modal truncation on the natural frequencies is discussed. Subsequently, the roles of the nonlocal parameter, material characteristic parameter, axial speed, stiffness and axial support rigidity parameter on the free vibration are comprehensively addressed. The material characteristic parameter induces the stiffness hardening of nanobeams, while the nonlocal parameter induces stiffness softening. In addition, the roles of small-scale parameters on the flutter critical velocity and stability are explained.

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

Highly vibrationally excited O2 molecules in low-pressure inductively-coupled plasmas detected by high sensitivity ultra-broad-band optical absorption spectroscopy

NASA Astrophysics Data System (ADS)

Foucher, Mickaël; Marinov, Daniil; Carbone, Emile; Chabert, Pascal; Booth, Jean-Paul

2015-08-01

Inductively-coupled plasmas in pure O2 (at pressures of 5-80 mTorr and radiofrequency power up to 500 W) were studied by optical absorption spectroscopy over the spectral range 200-450 nm, showing the presence of highly vibrationally excited O2 molecules (up to vʺ = 18) by Schumann-Runge band absorption. Analysis of the relative band intensities indicates a vibrational temperature up to 10,000 K, but these hot molecules only represent a fraction of the total O2 density. By analysing the (11-0) band at higher spectral resolution the O2 rotational temperature was also determined, and was found to increase with both pressure and power, reaching 900 K at 80 mTorr 500 W. These measurements were achieved using a new high-sensitivity ultra-broad-band absorption spectroscopy setup, based on a laser-plasma light source, achromatic optics and an aberration-corrected spectrograph. This setup allows the measurement of weak broadband absorbances due to a baseline variability lower than 2   ×   10-5 across a spectral range of 250 nm.

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.

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.

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.

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.

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.

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.

Comprehensive rotorcraft analysis methods

NASA Technical Reports Server (NTRS)

Stephens, Wendell B.; Austin, Edward E.

1988-01-01

The development and application of comprehensive rotorcraft analysis methods in the field of rotorcraft technology are described. These large scale analyses and the resulting computer programs are intended to treat the complex aeromechanical phenomena that describe the behavior of rotorcraft. They may be used to predict rotor aerodynamics, acoustic, performance, stability and control, handling qualities, loads and vibrations, structures, dynamics, and aeroelastic stability characteristics for a variety of applications including research, preliminary and detail design, and evaluation and treatment of field problems. The principal comprehensive methods developed or under development in recent years and generally available to the rotorcraft community because of US Army Aviation Research and Technology Activity (ARTA) sponsorship of all or part of the software systems are the Rotorcraft Flight Simulation (C81), Dynamic System Coupler (DYSCO), Coupled Rotor/Airframe Vibration Analysis Program (SIMVIB), Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics (CAMRAD), General Rotorcraft Aeromechanical Stability Program (GRASP), and Second Generation Comprehensive Helicopter Analysis System (2GCHAS).

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.

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.

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.

Dynamics of a grain-filled ball on a vibrating plate.

PubMed

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

2014-09-12

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

Dynamics of a Grain-Filled Ball on a Vibrating Plate

NASA Astrophysics Data System (ADS)

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

2014-09-01

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

An Efficient Crankshaft Dynamic Analysis Using Substructuring with Ritz Vectors

NASA Astrophysics Data System (ADS)

MOURELATOS, Z. P.

2000-11-01

A structural analysis using dynamic substructuring with Ritz vectors is presented for predicting the dynamic response of an engine crankshaft, based on the finite-element method. A two-level dynamic substructuring is performed using a set of load-dependent Ritz vectors. The rotating crankshaft is properly coupled with the non-rotating, compliant engine block. The block compliance is represented by a distributed linear elastic foundation at each main bearing location. The stiffness of the elastic foundation can be different in the vertical and horizontal planes, thereby considering the anisotropy of the engine block compliance with respect to the crankshaft rotation. The analysis accounts for the kinematic non-linearity resulting from the crankangle-dependent circumferential contact location between each journal and the corresponding bore of the engine block. Crankshaft “bent” and block “misboring” effects due to manufacturing imperfections are considered in the analysis. The superior accuracy and reduced computational effort of the present method as compared with the equivalent superelement analysis in MSC/NASTRAN, are demonstrated using the free and forced vibrations of a slender cylindrical beam and free vibrations of a four-cylinder engine crankshaft. Subsequently, the accuracy of the present method in calculating the dynamic response of engine crankshafts is shown through comparisons between the analytical predictions and experimental results for the torsional vibrations of an in-line five cylinder engine and the bending vibrations of the crankshaft-flywheel assembly of a V6 engine.

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.

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.

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.

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.

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.

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.

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.

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.

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.

Partition functions of thermally dissociating diatomic molecules and related momentum problem

NASA Astrophysics Data System (ADS)

Buchowiecki, Marcin

2017-11-01

The anharmonicity and ro-vibrational coupling in ro-vibrational partition functions of diatomic molecules are analyzed for the high temperatures of the thermal dissociation regime. The numerically exact partition functions and thermal energies are calculated. At the high temperatures the proper integration of momenta is important if the partition function of the molecule, understood as bounded system, is to be obtained. The problem of proper treatment of momentum is crucial for correctness of high temperature molecular simulations as the decomposition of simulated molecule have to be avoided; the analysis of O2, H2+, and NH3 molecules allows to show importance of βDe value.

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.

CO concentration in the upper stratosphere and mesosphere of Titan: non-LTE analysis of VIMS dayside limb observations at 4.7 mu m.

NASA Astrophysics Data System (ADS)

Fabiano, F.; Lopez-Puertas, M.; Adriani, A.; Moriconi, M. L.; D'Aversa, E.; Funke, B.; Lopez-Valverde, M. A.; Ridolfi, M.; Dinelli, B. M.

During the last 20 years, many works have focused on the atmospheric concentration of CO on Titan, giving contradictory results. In particular, no measurement of the CO abundance above 300 km has been done yet, due to the faint emission of CO above that altitude. On the other hand, such a study is particularly awaited as a confirmation of photochemical models that predict a uniform volume mixing ratio of CO in the whole Titan's atmosphere. Moreover, given that CO is the main reservoir of oxygen in Titan's atmosphere and its presence is linked to water, the matter is of astrobiological interest too. The analysis of VIMS (Visual & Infrared Mapping Spectrometer, onboard Cassini) daytime limb measurements of Titan at 4.7 mu m, corresponding to the vibrational bands of CO, allows such a study: CO molecules are significantly excited by solar radiation and the otherwise faint infrared signal of the upper atmosphere is large, allowing to probe this region too. On the other hand, the strong non-LTE behavior of CO infrared emission above 200 km, strongly coupled to N2 and CH4 vibrational levels, represents an extra complexity of the data analysis. In order to deal with CO non-LTE emission, we have developed a non-LTE excitation - de- excitation model for the first two CO vibrational levels of the two most abundant isotopo- logues. We consider the contribution of absorption of radiation in the fundamental, first hot and first overtone bands and evaluate the possible contribution of different collisional processes, mainly the coupling with the first excited state of N2 and with several levels of CH4. The solution of the non-LTE problem is obtained \\citep{Funke2012} through GRANADA , a non-LTE population algorithm based on Lambda iteration resolution strategy, eventually coupled to a Curtis-Matrix type approach. The result shows a significant over-population of the first vibrational level above 300km and of the second level in the whole atmosphere. The possibility of further pathways for CO(1) (de)-excitation, mainly through vibrational energy transfer from - to the excited states of CH4, is explored and seems to be crucial for establishing its population. We then analyze the spectra acquired by VIMS between 2004 and 2013 in the 4.7 mu m region, for daytime conditions. Considering the non-LTE populations obtained above, the retrieval of CO concentration is performed with the aid of Geofit Broad Band, a non- LTE line-by-line radiative transfer code coupled to a bayesian inversion method, initially developed for the Earth's atmosphere and later adapted to other planetary atmospheres \\citep{Adriani2011}. The low signal-to-noise ratio and spectral resolution of the instrument considerably complicate the data analysis. Moreover, the scattered solar radiation is not negligible below 350 km and dominates over atmospheric emission below 200 km, and hence it is taken into account as well. CO relative abundance profiles are finally obtained and discussed in the light of photochemical models predictions.

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.

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.

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.

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.

Method and apparatus for conducting structural health monitoring in a cryogenic, high vibration environment

NASA Technical Reports Server (NTRS)

Qing, Xinlin (Inventor); Beard, Shawn J. (Inventor); Li, Irene (Inventor)

2013-01-01

Sensors affixed to various such structures, where the sensors can withstand, remain affixed, and operate while undergoing both cryogenic temperatures and high vibrations. In particular, piezoelectric single crystal transducers are utilized, and these sensors are coupled to the structure via a low temperature, heat cured epoxy. This allows the transducers to monitor the structure while the engine is operating, even despite the harsh operating conditions. Aspects of the invention thus allow for real time monitoring and analysis of structures that operate in conditions that previously did not permit such analysis. A further aspect of the invention relates to use of piezoelectric single crystal transducers. In particular, use of such transducers allows the same elements to be used as both sensors and actuators.

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'.

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.

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).

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.

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.

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.

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.

Direct production of OH radicals upon CH overtone activation of (CH{sub 3}){sub 2}COO Criegee intermediates

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

Liu, Fang; Beames, Joseph M.; Lester, Marsha I., E-mail: milester@sas.upenn.edu

2014-12-21

Ozonolysis of alkenes, a principle non-photolytic source of atmospheric OH radicals, proceeds through unimolecular decay of energized carbonyl oxide intermediates, known as Criegee intermediates. In this work, cold dimethyl-substituted Criegee intermediates are vibrationally activated in the CH stretch overtone region to drive the 1,4 hydrogen transfer reaction that leads to OH radical products. IR excitation of (CH{sub 3}){sub 2}COO reveals the vibrational states with sufficient oscillator strength, coupling to the reaction coordinate, and energy to surmount the effective barrier (≤ 16.0 kcal mol{sup −1}) to reaction. Insight on the dissociation dynamics is gleaned from homogeneous broadening of the spectral features,more » indicative of rapid intramolecular vibrational energy redistribution and/or reaction, as well as the quantum state distribution of the OH X{sup 2}Π (v = 0) products. The experimental results are compared with complementary electronic structure calculations, which provide the IR absorption spectrum and geometric changes along the intrinsic reaction coordinate. Additional theoretical analysis reveals the vibrational modes and couplings that permit (CH{sub 3}){sub 2}COO to access to the transition state region for reaction. The experimental and theoretical results are compared with an analogous recent study of the IR activation of syn-CH{sub 3}CHOO and its unimolecular decay to OH products [F. Liu, J. M. Beames, A. S. Petit, A. B. McCoy, and M. I. Lester, Science 345, 1596 (2014)].« less

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

On the Relationship between Energy Density and Net Power (Intensity) in Coupled One-Dimensional Dynamic Systems

DTIC Science & Technology

1990-03-01

equation of the statistical energy analysis (SEA) using the procedure indicated in equation (13) [8, 9]. Similarly, one may state the quantities (. (X-)) and...CONGRESS ON ACOUSTICS, July 24-31 1986, Toronto, Canada, Paper D6-1. 5. CUSCHIERI, J.M., Power flow as a compliment to statistical energy analysis and...34Random response of identical one-dimensional subsystems", Journal of Sound and Vibration, 1980, Vol. 70, p. 343-353. 8. LYON, R.H., Statistical Energy Analysis of

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.

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.

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

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.

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.

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.

Interface conductance modal analysis of lattice matched InGaAs/InP

NASA Astrophysics Data System (ADS)

Gordiz, Kiarash; Henry, Asegun

2016-05-01

We studied the heat conduction at InGaAs/InP interfaces and found that the total value of interface conductance was quite high ˜830 MW m-2 K-1. The modal contributions to the thermal interface conductance (TIC) were then investigated to determine the mode responsible. Using the recently developed interface conductance modal analysis method, we showed that more than 70% of the TIC arises from extended modes in the system. The lattice dynamics calculations across the interface revealed that, unlike any other interfaces previously studied, the different classes of vibration around the interface of InGaAs/InP naturally segregate into distinct regions with respect to frequency. In addition, interestingly, the entire region of frequency overlap between the sides of the interface is occupied by extended modes, whereby the two materials vibrate together with a single frequency. We also mapped the correlations between modes, which showed that the contribution by extended modes to the TIC primarily arises from coupling to the modes that have the same frequencies of vibration (i.e., autocorrelations). Moreover, interfacial modes despite their low population still contribute more than 6% to interfacial thermal transport. The analysis sheds light on the nature of heat conduction by different classes of vibration that exist in interfacial systems, which has technological relevance to applications such as thermophotovoltaics and optoelectronics.

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

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

Yuan, Haomin; Solberg, Jerome; Merzari, Elia

This paper describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLO formore » structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation« less

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

DOE PAGES

Yuan, Haomin; Solberg, Jerome; Merzari, Elia; ...

2017-08-01

This study describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980 s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLOmore » for structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation.« less

Flow-induced vibration analysis of a helical coil steam generator experiment using large eddy simulation

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

Yuan, Haomin; Solberg, Jerome; Merzari, Elia

This study describes a numerical study of flow-induced vibration in a helical coil steam generator experiment conducted at Argonne National Laboratory in the 1980 s. In the experiment, a half-scale sector model of a steam generator helical coil tube bank was subjected to still and flowing air and water, and the vibrational characteristics were recorded. The research detailed in this document utilizes the multi-physics simulation toolkit SHARP developed at Argonne National Laboratory, in cooperation with Lawrence Livermore National Laboratory, to simulate the experiment. SHARP uses the spectral element code Nek5000 for fluid dynamics analysis and the finite element code DIABLOmore » for structural analysis. The flow around the coil tubes is modeled in Nek5000 by using a large eddy simulation turbulence model. Transient pressure data on the tube surfaces is sampled and transferred to DIABLO for the structural simulation. The structural response is simulated in DIABLO via an implicit time-marching algorithm and a combination of continuum elements and structural shells. Tube vibration data (acceleration and frequency) are sampled and compared with the experimental data. Currently, only one-way coupling is used, which means that pressure loads from the fluid simulation are transferred to the structural simulation but the resulting structural displacements are not fed back to the fluid simulation.« less

Actuating Mechanism and Design of a Cylindrical Traveling Wave Ultrasonic Motor Using Cantilever Type Composite Transducer

PubMed Central

Liu, Yingxiang; Chen, Weishan; Liu, Junkao; Shi, Shengjun

2010-01-01

Background Ultrasonic motors (USM) are based on the concept of driving the rotor by a mechanical vibration excited on the stator via piezoelectric effect. USM exhibit merits such as simple structure, quick response, quiet operation, self-locking when power off, nonelectromagnetic radiation and higher position accuracy. Principal Findings A cylindrical type traveling wave ultrasonic motor using cantilever type composite transducer was proposed in this paper. There are two cantilevers on the outside surface of cylinder, four longitudinal PZT ceramics are set between the cantilevers, and four bending PZT ceramics are set on each outside surface of cantilevers. Two degenerate flexural vibration modes spatially and temporally orthogonal to each other in the cylinder are excited by the composite transducer. In this new design, a single transducer can excite a flexural traveling wave in the cylinder. Thus, elliptical motions are achieved on the teeth. The actuating mechanism of proposed motor was analyzed. The stator was designed with FEM. The two vibration modes of stator were degenerated. Transient analysis was developed to gain the vibration characteristic of stator, and results indicate the motion trajectories of nodes on the teeth are nearly ellipses. Conclusions The study results verify the feasibility of the proposed design. The wave excited in the cylinder isn't an ideal traveling wave, and the vibration amplitudes are inconsistent. The distortion of traveling wave is generated by the deformation of bending vibration mode of cylinder, which is caused by the coupling effect between the cylinder and transducer. Analysis results also prove that the objective motions of nodes on the teeth are three-dimensional vibrations. But, the vibration in axial direction is minute compared with the vibrations in circumferential and radial direction. The results of this paper can guide the development of this new type of motor. PMID:20368809

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.

Entropy for Mechanically Vibrating Systems

NASA Astrophysics Data System (ADS)

Tufano, Dante

The research contained within this thesis deals with the subject of entropy as defined for and applied to mechanically vibrating systems. This work begins with an overview of entropy as it is understood in the fields of classical thermodynamics, information theory, statistical mechanics, and statistical vibroacoustics. Khinchin's definition of entropy, which is the primary definition used for the work contained in this thesis, is introduced in the context of vibroacoustic systems. The main goal of this research is to to establish a mathematical framework for the application of Khinchin's entropy in the field of statistical vibroacoustics by examining the entropy context of mechanically vibrating systems. The introduction of this thesis provides an overview of statistical energy analysis (SEA), a modeling approach to vibroacoustics that motivates this work on entropy. The objective of this thesis is given, and followed by a discussion of the intellectual merit of this work as well as a literature review of relevant material. Following the introduction, an entropy analysis of systems of coupled oscillators is performed utilizing Khinchin's definition of entropy. This analysis develops upon the mathematical theory relating to mixing entropy, which is generated by the coupling of vibroacoustic systems. The mixing entropy is shown to provide insight into the qualitative behavior of such systems. Additionally, it is shown that the entropy inequality property of Khinchin's entropy can be reduced to an equality using the mixing entropy concept. This equality can be interpreted as a facet of the second law of thermodynamics for vibroacoustic systems. Following this analysis, an investigation of continuous systems is performed using Khinchin's entropy. It is shown that entropy analyses using Khinchin's entropy are valid for continuous systems that can be decomposed into a finite number of modes. The results are shown to be analogous to those obtained for simple oscillators, which demonstrates the applicability of entropy-based approaches to real-world systems. Three systems are considered to demonstrate these findings: 1) a rod end-coupled to a simple oscillator, 2) two end-coupled rods, and 3) two end-coupled beams. The aforementioned work utilizes the weak coupling assumption to determine the entropy of composite systems. Following this discussion, a direct method of finding entropy is developed which does not rely on this limiting assumption. The resulting entropy provides a useful benchmark for evaluating the accuracy of the weak coupling approach, and is validated using systems of coupled oscillators. The later chapters of this work discuss Khinchin's entropy as applied to nonlinear and nonconservative systems, respectively. The discussion of entropy for nonlinear systems is motivated by the desire to expand the applicability of SEA techniques beyond the linear regime. The discussion of nonconservative systems is also crucial, since real-world systems interact with their environment, and it is necessary to confirm the validity of an entropy approach for systems that are relevant in the context of SEA. Having developed a mathematical framework for determining entropy under a number of previously unexplored cases, the relationship between thermodynamics and statistical vibroacoustics can be better understood. Specifically, vibroacoustic temperatures can be obtained for systems that are not necessarily linear or weakly coupled. In this way, entropy provides insight into how the power flow proportionality of statistical energy analysis (SEA) can be applied to a broader class of vibroacoustic systems. As such, entropy is a useful tool for both justifying and expanding the foundational results of SEA.

Bi-spectrum based-EMD applied to the non-stationary vibration signals for bearing faults diagnosis.

PubMed

Saidi, Lotfi; Ali, Jaouher Ben; Fnaiech, Farhat

2014-09-01

Empirical mode decomposition (EMD) has been widely applied to analyze vibration signals behavior for bearing failures detection. Vibration signals are almost always non-stationary since bearings are inherently dynamic (e.g., speed and load condition change over time). By using EMD, the complicated non-stationary vibration signal is decomposed into a number of stationary intrinsic mode functions (IMFs) based on the local characteristic time scale of the signal. Bi-spectrum, a third-order statistic, helps to identify phase coupling effects, the bi-spectrum is theoretically zero for Gaussian noise and it is flat for non-Gaussian white noise, consequently the bi-spectrum analysis is insensitive to random noise, which are useful for detecting faults in induction machines. Utilizing the advantages of EMD and bi-spectrum, this article proposes a joint method for detecting such faults, called bi-spectrum based EMD (BSEMD). First, original vibration signals collected from accelerometers are decomposed by EMD and a set of IMFs is produced. Then, the IMF signals are analyzed via bi-spectrum to detect outer race bearing defects. The procedure is illustrated with the experimental bearing vibration data. The experimental results show that BSEMD techniques can effectively diagnosis bearing failures. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

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.

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.

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.

The detection of conformational disorder by thermal analysis

NASA Astrophysics Data System (ADS)

Wunderlich, B.

Conformational disorder in crystals is found in many molecules that possess a plurality of conformational isomers. Typical examples are linear macromolecules such as polyethylene, polytetrafluoroethylene and trans-1,4-polybutadiene; and small molecules such as paraffins, cycloparaffins, soaps, lipids and many liquid-crystal forming molecules. Conformational motion is often coupled with the cooperative creation of disorder. In this case a heat and entropy of transition is observed by thermal analysis. Levels of transition entropies can be estimated, assuming most of the disorder can be traced to conformational isomerism. In case there is conformational disorder frozen-in at low temperature, thermal analysis can be used to find the glass transition of a condis crystal. An Advanced Thermal Analysis System has been developed, and will be described that permits a detailed interpretation of the thermal analysis traces. It rests with the establishment of high quality heat capacity for the rigid solid state (vibration only) and the mobile liquid state (vibrations and large amplitude cooperative motion).

The detection of conformational disorder by thermal analysis

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

Wunderlich, B.

1988-01-01

Conformational disorder in crystals is found in many molecules that possess a plurality of conformational isomers. Typical examples are linear macromolecules such as polyethylene, polytetrafluoroethylene and trans-1,4-polybutadiene; and small molecules such as paraffins, cycloparaffins, soaps, lipids and many liquid-crystal forming molecules. Conformational motion is often coupled with the cooperative creation of disorder. In this case a heat and entropy of transition is observed by thermal analysis. Levels of transition entropies can be estimated, assuming most of the disorder can be traced to conformational isomerism. In case there is conformational disorder frozen-in at low temperature, thermal analysis can be used tomore » find the glass transition of a condis crystal. An Advanced Thermal Analysis System has been developed, and will be described that permits a detailed interpretation of the thermal analysis traces. It rests with the establishment of high quality heat capacity for the rigid solid state (vibration only) and the mobile liquid state (vibrations and large amplitude cooperative motion). 36 refs., 3 figs.« less

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.

Microwave spectrum of arsenic triphosphide

NASA Astrophysics Data System (ADS)

Daly, Adam M.; Cossairt, Brandi M.; Southwood, Gavin; Carey, Spencer J.; Cummins, Christopher C.; Kukolich, Stephen G.

2012-08-01

The microwave spectrum of AsP3 has been measured and assignments for three different vibrational states have been made. The symmetric top ΔJ = +1 transitions have been fit to obtain rotational constants, centrifugal distortion constants and quadrupole coupling strengths for the three vibrational states (I-III), BI = 2201.394(1) MHz, eQqaaI = 48.728(5) MHz, DJI = 0.2(3) kHz, DJKI = 0.5(1) kHz and σI = 4 kHz, BII = 2192.26(1) MHz, eQqaaII = 48.62(4) MHz, BIII = 2183.93(2) MHz, eQqaaIII = 48.53(4) MHz. The experimental vibration-rotation coupling constant, α(ν4) = 9.20(3) MHz is compared with results from MP2/6-311G** calculations. The excited states (II and III) are tentatively assigned to the ν4 and 2ν4 excited vibrational states.

The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr

PubMed Central

Wang, Aixing; Sun, Lifeng; Fang, Chao; Liu, Yibao

2013-01-01

The vibrational nonlinear dynamics of HOBr in the bending and O–Br stretching coordinates with anharmonicity and Fermi 2:1 coupling are studied with dynamical potentials in this article. The result shows that the H–O stretching vibration mode has significantly different effects on the coupling between the O–Br stretching mode and the H–O–Br bending mode under different Polyad numbers. The dynamical potentials and the corresponding phase space trajectories are obtained when the Polyad number is 27, for instance, and the fixed points in the dynamical potentials of HOBr are shown to govern the various quantal environments in which the vibrational states lie. Furthermore, it is also found that the quantal environments could be identified by the numerical values of action integrals, which is consistent with former research. PMID:23462512

Neonatal head and torso vibration exposure during inter-hospital transfer

PubMed Central

Blaxter, Laurence; Yeo, Mildrid; McNally, Donal; Crowe, John; Henry, Caroline; Hill, Sarah; Mansfield, Neil; Leslie, Andrew; Sharkey, Don

2017-01-01

Inter-hospital transport of premature infants is increasingly common, given the centralisation of neonatal intensive care. However, it is known to be associated with anomalously increased morbidity, most notably brain injury, and with increased mortality from multifactorial causes. Surprisingly, there have been relatively few previous studies investigating the levels of mechanical shock and vibration hazard present during this vehicular transport pathway. Using a custom inertial datalogger, and analysis software, we quantify vibration and linear head acceleration. Mounting multiple inertial sensing units on the forehead and torso of neonatal patients and a preterm manikin, and on the chassis of transport incubators over the duration of inter-site transfers, we find that the resonant frequency of the mattress and harness system currently used to secure neonates inside incubators is ~9Hz. This couples to vehicle chassis vibration, increasing vibration exposure to the neonate. The vibration exposure per journey (A(8) using the ISO 2631 standard) was at least 20% of the action point value of current European Union regulations over all 12 neonatal transports studied, reaching 70% in two cases. Direct injury risk from linear head acceleration (HIC15) was negligible. Although the overall hazard was similar, vibration isolation differed substantially between sponge and air mattresses, with a manikin. Using a Global Positioning System datalogger alongside inertial sensors, vibration increased with vehicle speed only above 60 km/h. These preliminary findings suggest there is scope to engineer better systems for transferring sick infants, thus potentially improving their outcomes. PMID:28056712

Neonatal head and torso vibration exposure during inter-hospital transfer.

PubMed

Blaxter, Laurence; Yeo, Mildrid; McNally, Donal; Crowe, John; Henry, Caroline; Hill, Sarah; Mansfield, Neil; Leslie, Andrew; Sharkey, Don

2017-02-01

Inter-hospital transport of premature infants is increasingly common, given the centralisation of neonatal intensive care. However, it is known to be associated with anomalously increased morbidity, most notably brain injury, and with increased mortality from multifactorial causes. Surprisingly, there have been relatively few previous studies investigating the levels of mechanical shock and vibration hazard present during this vehicular transport pathway. Using a custom inertial datalogger, and analysis software, we quantify vibration and linear head acceleration. Mounting multiple inertial sensing units on the forehead and torso of neonatal patients and a preterm manikin, and on the chassis of transport incubators over the duration of inter-site transfers, we find that the resonant frequency of the mattress and harness system currently used to secure neonates inside incubators is [Formula: see text]. This couples to vehicle chassis vibration, increasing vibration exposure to the neonate. The vibration exposure per journey (A(8) using the ISO 2631 standard) was at least 20% of the action point value of current European Union regulations over all 12 neonatal transports studied, reaching 70% in two cases. Direct injury risk from linear head acceleration (HIC 15 ) was negligible. Although the overall hazard was similar, vibration isolation differed substantially between sponge and air mattresses, with a manikin. Using a Global Positioning System datalogger alongside inertial sensors, vibration increased with vehicle speed only above 60 km/h. These preliminary findings suggest there is scope to engineer better systems for transferring sick infants, thus potentially improving their outcomes.

Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-).

PubMed

Wolke, Conrad T; DeBlase, Andrew F; Leavitt, Christopher M; McCoy, Anne B; Johnson, Mark A

2015-12-31

To understand how the D2d oxalate scaffold (C2O4)(2-) distorts upon capture of a proton, we report the vibrational spectra of the cryogenically cooled HO2CCO2(-) anion and its deuterated isotopologue DO2CCO2(-). The transitions associated with the skeletal vibrations and OH bending modes are sharp and are well described by inclusion of cubic terms in the normal mode expansion of the potential surface through an extended Fermi resonance analysis. The ground state structure features a five-membered ring with an asymmetric intramolecular proton bond. The spectral signatures of the hydrogen stretches, on the contrary, are surprisingly diffuse, and this behavior is not anticipated by the extended Fermi scheme. We trace the diffuse bands to very strong couplings between the high-frequency OH-stretch and the low-frequency COH bends as well as heavy particle skeletal deformations. A simple vibrationally adiabatic model recovers this breadth of oscillator strength as a 0 K analogue of the motional broadening commonly used to explain the diffuse spectra of H-bonded systems at elevated temperatures, but where these displacements arise from the configurations present at the vibrational zero-point level.

V-T theory for the self-intermediate scattering function in a monatomic liquid

NASA Astrophysics Data System (ADS)

Wallace, Duane C.; Chisolm, Eric D.; De Lorenzi-Venneri, Giulia

2017-02-01

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. In its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t. Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive and discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. The resulting theoretical error is extremely small at all q and t. V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory.

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.

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

Vibrational spectroscopy, intramolecular CH⋯O interaction and conformational analysis of 2,5-dimethyl-benzyl benzoate

NASA Astrophysics Data System (ADS)

Viana, Rommel B.; Ribeiro, Gabriela L. O.; Valencia, Leidy J.; Varela, Jaldyr J. G.; Viana, Anderson B.; da Silva, Albérico B. F.; Moreno-Fuquen, Rodolfo

2016-12-01

The aim of this study was to report the spectroscopic and electronic properties of 2,5-dimethyl-benzyl benzoate. FT-IR and Raman vibrational spectral analyses were performed, while a computational approach was used to elucidate the vibrational frequency couplings. The electronic properties were predicted using the Density Functional Theory, while the G3MP2 method was employed in the thermochemical calculation. A conformational analysis, frontier orbitals, partial atomic charge distribution and the molecular electrostatic potential were also estimated. Concerning to the dihedral angles in the ester group, a conformational analysis showed a barrier energy of 10 kcal mol-1, while other small barriers (below 0.6 kcal mol-1) were predicted within the potential surface energy investigation. Insights into the relative stability among the different positions of methyl groups in the phenyl ring demonstrated that the energy gaps were lower than 1 kcal mol-1 among the regioisomers. In addition, the Quantum Theory of Atoms in Molecules (QTAIM) was used to understand the intramolecular CH⋯O interaction in the title compound, while various methodologies were applied in the atomic charge distribution to evaluate the susceptibility to the population method.

The Effects of the Organic-Inorganic Interactions on the Thermal Transport Properties of CH3NH3PbI3.

PubMed

Hata, Tomoyuki; Giorgi, Giacomo; Yamashita, Koichi

2016-04-13

Methylammonium lead iodide perovskite (CH3NH3PbI3), the most investigated hybrid organic-inorganic halide perovskite, is characterized by a quite low thermal conductivity. The rotational motion of methylammonium cations is considered responsible for phonon transport suppression; however, to date, the specific mechanism of the process has not been clarified. In this study, we elucidate the role of rotations in thermal properties based on molecular dynamics simulations. To do it, we developed an empirical potential for CH3NH3PbI3 by fitting to ab initio calculations and evaluated its thermal conductivity by means of nonequilibrium molecular dynamics. Results are compared with model systems that include different embedded cations, and this comparison shows a dominant suppression effect provided by rotational motions. We also checked the temperature dependence of the vibrational density of states and specified the energy range in which anharmonic couplings occur. By means of phonon dispersion analysis, we were able to fully elucidate the suppression mechanism: the rotations are coupled with translational motions of cations, via which inorganic lattice vibrations are coupled and scatter each other.

Structural vibration-based damage classification of delaminated smart composite laminates

NASA Astrophysics Data System (ADS)

Khan, Asif; Kim, Heung Soo; Sohn, Jung Woo

2018-03-01

Separation along the interfaces of layers (delamination) is a principal mode of failure in laminated composites and its detection is of prime importance for structural integrity of composite materials. In this work, structural vibration response is employed to detect and classify delaminations in piezo-bonded laminated composites. Improved layerwise theory and finite element method are adopted to develop the electromechanically coupled governing equation of a smart composite laminate with and without delaminations. Transient responses of the healthy and damaged structures are obtained through a surface bonded piezoelectric sensor by solving the governing equation in the time domain. Wavelet packet transform (WPT) and linear discriminant analysis (LDA) are employed to extract discriminative features from the structural vibration response of the healthy and delaminated structures. Dendrogram-based support vector machine (DSVM) is used to classify the discriminative features. The confusion matrix of the classification algorithm provided physically consistent results.

Optimization of an Active Twist Rotor Blade Planform for Improved Active Response and Forward Flight Performance

NASA Technical Reports Server (NTRS)

Sekula, Martin K; Wilbur, Matthew L.

2014-01-01

A study was conducted to identify the optimum blade tip planform for a model-scale active twist rotor. The analysis identified blade tip design traits which simultaneously reduce rotor power of an unactuated rotor while leveraging aeromechanical couplings to tailor the active response of the blade. Optimizing the blade tip planform for minimum rotor power in forward flight provided a 5 percent improvement in performance compared to a rectangular blade tip, but reduced the vibration control authority of active twist actuation by 75 percent. Optimizing for maximum blade twist response increased the vibration control authority by 50 percent compared to the rectangular blade tip, with little effect on performance. Combined response and power optimization resulted in a blade tip design which provided similar vibration control authority to the rectangular blade tip, but with a 3.4 percent improvement in rotor performance in forward flight.

A budget of energy transfer in a sustained vocal folds vibration in glottis

NASA Astrophysics Data System (ADS)

Zhang, Lucy; Yang, Jubiao; Krane, Michael

2016-11-01

A set of force and energy balance equations using the control volume approach is derived based on the first principles of physics for a sustained vocal folds vibration in glottis. The control volume analysis is done for compressible airflow in a moving and deforming control volume in the vicinity of the vocal folds. The interaction between laryngeal airflow and vocal folds are successfully simulated using the modified Immersed Finite Element Method (mIFEM), a fully coupled approach to simulate fluid-structure interactions. Detailed mathematical terms are separated out for deeper physical understanding and utilization of mechanical energy is quantified with the derived equation. The results show that majority of energy input is consumed for driving laryngeal airflow, while a smaller portion is for compensating viscous losses in and sustaining the vibration of the vocal folds. We acknowledge the funding support of NIH 2R01DC005642-10A1.

Single-Shot Rotational Raman Thermometry for Turbulent Flames Using a Low-Resolution Bandwidth Technique

NASA Technical Reports Server (NTRS)

Kojima, Jun; Nguyen, Quang-Viet

2007-01-01

An alternative optical thermometry technique that utilizes the low-resolution (order 10(exp 1)/cm) pure-rotational spontaneous Raman scattering of air is developed to aid single-shot multiscalar measurements in turbulent combustion studies. Temperature measurements are realized by correlating the measured envelope bandwidth of the pure-rotational manifold of the N2/O2 spectrum with a theoretical prediction of a species-weighted bandwidth. By coupling this thermometry technique with conventional vibrational Raman scattering for species determination, we demonstrate quantitative spatially resolved, single-shot measurements of the temperature and fuel/oxidizer concentrations in a high-pressure turbulent Cf4-air flame. Our technique provides not only an effective means of validating other temperature measurement methods, but also serves as a secondary thermometry technique in cases where the anti-Stokes vibrational N2 Raman signals are too low for a conventional vibrational temperature analysis.

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.

Self-consistent-field perturbation theory for the Schröautdinger equation

NASA Astrophysics Data System (ADS)

Goodson, David Z.

1997-06-01

A method is developed for using large-order perturbation theory to solve the systems of coupled differential equations that result from the variational solution of the Schröautdinger equation with wave functions of product form. This is a noniterative, computationally efficient way to solve self-consistent-field (SCF) equations. Possible applications include electronic structure calculations using products of functions of collective coordinates that include electron correlation, vibrational SCF calculations for coupled anharmonic oscillators with selective coupling of normal modes, and ab initio calculations of molecular vibration spectra without the Born-Oppenheimer approximation.

A simulation of atomic force microscope microcantilever in the tapping mode utilizing couple stress theory.

PubMed

Abbasi, Mohammad

2018-04-01

The nonlinear vibration behavior of a Tapping mode atomic force microscopy (TM-AFM) microcantilever under acoustic excitation force has been modeled and investigated. In dynamic AFM, the tip-surface interactions are strongly nonlinear, rapidly changing and hysteretic. First, the governing differential equation of motion and boundary conditions for dynamic analysis are obtained using the modified couple stress theory. Afterwards, closed-form expressions for nonlinear frequency and effective nonlinear damping ratio are derived utilizing perturbation method. The effect of tip connection position on the vibration behavior of the microcantilever are also analyzed. The results show that nonlinear frequency is size dependent. According to the results, an increase in the equilibrium separation between the tip and the sample surface reduces the overall effect of van der Waals forces on the nonlinear frequency, but its effect on the effective nonlinear damping ratio is negligible. The results also indicate that both the change in the distance between tip and cantilever free end and the reduction of tip radius have significant effects on the accuracy and sensitivity of the TM-AFM in the measurement of surface forces. The hysteretic behavior has been observed in the near resonance frequency response due to softening and hardening of the forced vibration response. Copyright © 2018 Elsevier Ltd. All rights reserved.

Spectral methods for study of the G-protein-coupled receptor rhodopsin: I. Vibrational and electronic spectroscopy

NASA Astrophysics Data System (ADS)

Struts, A. V.; Barmasov, A. V.; Brown, M. F.

2015-05-01

Here we review the application of modern spectral methods for the study of G-protein-coupled receptors (GPCRs) using rhodopsin as a prototype. Because X-ray analysis gives us immobile snapshots of protein conformations, it is imperative to apply spectroscopic methods for elucidating their function: vibrational (Raman, FTIR), electronic (UV-visible absorption, fluorescence) spectroscopies, and magnetic resonance (electron paramagnetic resonance, EPR), and nuclear magnetic resonance (NMR). In the first of the two companion articles, we discuss the application of optical spectroscopy for studying rhodopsin in a membrane environment. Information is obtained regarding the time-ordered sequence of events in rhodopsin activation. Isomerization of the chromophore and deprotonation of the retinal Schiff base leads to a structural change of the protein involving the motion of helices H5 and H6 in a pH-dependent process. Information is obtained that is unavailable from X-ray crystallography, which can be combined with spectroscopic studies to achieve a more complete understanding of GPCR function.

Multidisciplinary optimization of controlled space structures with global sensitivity equations

NASA Technical Reports Server (NTRS)

Padula, Sharon L.; James, Benjamin B.; Graves, Philip C.; Woodard, Stanley E.

1991-01-01

A new method for the preliminary design of controlled space structures is presented. The method coordinates standard finite element structural analysis, multivariable controls, and nonlinear programming codes and allows simultaneous optimization of the structures and control systems of a spacecraft. Global sensitivity equations are a key feature of this method. The preliminary design of a generic geostationary platform is used to demonstrate the multidisciplinary optimization method. Fifteen design variables are used to optimize truss member sizes and feedback gain values. The goal is to reduce the total mass of the structure and the vibration control system while satisfying constraints on vibration decay rate. Incorporating the nonnegligible mass of actuators causes an essential coupling between structural design variables and control design variables. The solution of the demonstration problem is an important step toward a comprehensive preliminary design capability for structures and control systems. Use of global sensitivity equations helps solve optimization problems that have a large number of design variables and a high degree of coupling between disciplines.

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.

Raman investigation of ro-vibrational modes of interstitial H2 in Si

NASA Astrophysics Data System (ADS)

Koch, S. G.; Lavrov, E. V.; Weber, J.

2012-08-01

A Raman scattering study of ro-vibrational transitions Q(J) of the interstitial H2 in Si is presented. It is shown that the Q(2) mode of para hydrogen is coupled to the TAX phonon of Si. The mode appears in the spectra at temperatures above 200 K. The results presented also suggest that the Q(3) transition of ortho hydrogen is resonantly coupled to the OΓ phonon.

Direct observation of coherent energy transfer in nonlinear micromechanical oscillators.

PubMed

Chen, Changyao; Zanette, Damián H; Czaplewski, David A; Shaw, Steven; López, Daniel

2017-05-26

Energy dissipation is an unavoidable phenomenon of physical systems that are directly coupled to an external environmental bath. In an oscillatory system, it leads to the decay of the oscillation amplitude. In situations where stable oscillations are required, the energy dissipated by the vibrations is usually compensated by replenishment from external energy sources. Consequently, if the external energy supply is removed, the amplitude of oscillations start to decay immediately, since there is no means to restitute the energy dissipated. Here, we demonstrate a novel dissipation engineering strategy that can support stable oscillations without supplying external energy to compensate losses. The fundamental intrinsic mechanism of resonant mode coupling is used to redistribute and store mechanical energy among vibrational modes and coherently transfer it back to the principal mode when the external excitation is off. To experimentally demonstrate this phenomenon, we exploit the nonlinear dynamic response of microelectromechanical oscillators to couple two different vibrational modes through an internal resonance.

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

Optomechanical proposal for monitoring microtubule mechanical vibrations

NASA Astrophysics Data System (ADS)

Barzanjeh, Sh.; Salari, V.; Tuszynski, J. A.; Cifra, M.; Simon, C.

2017-07-01

Microtubules provide the mechanical force required for chromosome separation during mitosis. However, little is known about the dynamic (high-frequency) mechanical properties of microtubules. Here, we theoretically propose to control the vibrations of a doubly clamped microtubule by tip electrodes and to detect its motion via the optomechanical coupling between the vibrational modes of the microtubule and an optical cavity. In the presence of a red-detuned strong pump laser, this coupling leads to optomechanical-induced transparency of an optical probe field, which can be detected with state-of-the art technology. The center frequency and line width of the transparency peak give the resonance frequency and damping rate of the microtubule, respectively, while the height of the peak reveals information about the microtubule-cavity field coupling. Our method opens the new possibilities to gain information about the physical properties of microtubules, which will enhance our capability to design physical cancer treatment protocols as alternatives to chemotherapeutic drugs.

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.

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.

Studies Of Vibrations In Gearboxes

NASA Technical Reports Server (NTRS)

Choy, Fred K.; Ruan, Yeefeng F.; Tu, Yu K.; Zakrajsek, James J.; Oswald, Fred B.; Coy, John J.; Townsend, Dennis P.

1994-01-01

Three NASA technical memorandums summarize studies of vibrations in gearboxes. Directed toward understanding and reducing gearbox noise caused by coupling of vibrations from meshing gears, through gear shafts and their bearings, to surfaces of gearbox housings. Practical systems in which understanding and reduction of gearbox noise beneficial include helicopter, car, and truck transmissions; stationary geared systems; and gear-driven actuator systems.

Diffraction Studies of the Atomic Vibrations of Bulk and Surface Atoms in the Reciprocal and Real Spaces of Nanocrystalline SiC

NASA Technical Reports Server (NTRS)

Stelmakh, S.; Grzanka, E.; Weber, H.-P.; Vogel, S.; Palosz, B.; Palosz, B.

2004-01-01

To describe and evaluate the vibrational properties of nanoparticles it is necessary to distinguish between the surface and the core of the particles. Theoretical calculations show that vibrational density of states of the inner atoms of nanograins is similar to bulk material but shifted to higher energies which can be explained by the fact that the gain core is stressed (hardened) due to the presence of internal pressure. Theoretical calculations also show that there is a difference between vibrational properties of a crystal lattice of the grain interior in isolated particles and in a dense (sintered) nanocrystalline material. This is probably due to a coupling of the modes inside the grains via the grain boundaries in dense nanocrystalline bodies. We examined strains present in the surface shell based on examination of diamond and Sic nanocrystals in reciprocal (Bragg-type scattering) and real (PDF analysis) space analysis of neutron diffraction data. Recently we examined the atomic thermal motions in nanocrystalline Sic based on the assumption of a simple Einstein model for uncorrelated atomic notions. According to this model, the Bragg intensity is attenuated as a function of scattering angle by the Debye-Waller factor. Based on this assumption overall temperature factors were determined from the Wilson plots.

The direct field boundary impedance of two-dimensional periodic structures with application to high frequency vibration prediction.

PubMed

Langley, Robin S; Cotoni, Vincent

2010-04-01

Large sections of many types of engineering construction can be considered to constitute a two-dimensional periodic structure, with examples ranging from an orthogonally stiffened shell to a honeycomb sandwich panel. In this paper, a method is presented for computing the boundary (or edge) impedance of a semi-infinite two-dimensional periodic structure, a quantity which is referred to as the direct field boundary impedance matrix. This terminology arises from the fact that none of the waves generated at the boundary (the direct field) are reflected back to the boundary in a semi-infinite system. The direct field impedance matrix can be used to calculate elastic wave transmission coefficients, and also to calculate the coupling loss factors (CLFs), which are required by the statistical energy analysis (SEA) approach to predicting high frequency vibration levels in built-up systems. The calculation of the relevant CLFs enables a two-dimensional periodic region of a structure to be modeled very efficiently as a single subsystem within SEA, and also within related methods, such as a recently developed hybrid approach, which couples the finite element method with SEA. The analysis is illustrated by various numerical examples involving stiffened plate structures.

Real-Time Observation of Exciton-Phonon Coupling Dynamics in Self-Assembled Hybrid Perovskite Quantum Wells.

PubMed

Ni, Limeng; Huynh, Uyen; Cheminal, Alexandre; Thomas, Tudor H; Shivanna, Ravichandran; Hinrichsen, Ture F; Ahmad, Shahab; Sadhanala, Aditya; Rao, Akshay

2017-11-28

Self-assembled hybrid perovskite quantum wells have attracted attention due to their tunable emission properties, ease of fabrication, and device integration. However, the dynamics of excitons in these materials, especially how they couple to phonons, remains an open question. Here, we investigate two widely used materials, namely, butylammonium lead iodide (CH 3 (CH 2 ) 3 NH 3 ) 2 PbI 4 and hexylammonium lead iodide (CH 3 (CH 2 ) 5 NH 3 ) 2 PbI 4 , both of which exhibit broad photoluminescence tails at room temperature. We performed femtosecond vibrational spectroscopy to obtain a real-time picture of the exciton-phonon interaction and directly identified the vibrational modes that couple to excitons. We show that the choice of the organic cation controls which vibrational modes the exciton couples to. In butylammonium lead iodide, excitons dominantly couple to a 100 cm -1 phonon mode, whereas in hexylammonium lead iodide, excitons interact with phonons with frequencies of 88 and 137 cm -1 . Using the determined optical phonon energies, we analyzed photoluminescence broadening mechanisms. At low temperatures (<100 K), the broadening is due to acoustic phonon scattering, whereas at high temperatures, LO phonon-exciton coupling is the dominant mechanism. Our results help explain the broad photoluminescence line shape observed in hybrid perovskite quantum wells and provide insights into the mechanism of exciton-phonon coupling in these materials.

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

NASA Astrophysics Data System (ADS)

Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

2012-11-01

Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

Structure and vibrational properties of the dominant O-H center in β-Ga2O3

NASA Astrophysics Data System (ADS)

Weiser, Philip; Stavola, Michael; Fowler, W. Beall; Qin, Ying; Pearton, Stephen

2018-06-01

Hydrogen has a strong influence on the electrical properties of transparent conducting oxides where it can give rise to shallow donors and can passivate deep compensating defects. We have carried out infrared absorption experiments on H- and D-doped β-Ga2O3 that involve temperature- and polarization-dependent effects as well as relative H- and D-concentrations to probe the defect structures that hydrogen can form. The results of analysis of these data, coupled with detailed theoretical calculations, show that the dominant O-H vibrational line observed at 3437 cm-1 for hydrogenated Ga2O3 is due to a relaxed VGa-2H center.

Dynamics identification of a piezoelectric vibrational energy harvester by image analysis with a high speed camera

NASA Astrophysics Data System (ADS)

Wolszczak, Piotr; Łygas, Krystian; Litak, Grzegorz

2018-07-01

This study investigates dynamic responses of a nonlinear vibration energy harvester. The nonlinear mechanical resonator consists of a flexible beam moving like an inverted pendulum between amplitude limiters. It is coupled with a piezoelectric converter, and excited kinematically. Consequently, the mechanical energy input is converted into the electrical power output on the loading resistor included in an electric circuit attached to the piezoelectric electrodes. The curvature of beam mode shapes as well as deflection of the whole beam are examined using a high speed camera. The visual identification results are compared with the voltage output generated by the piezoelectric element for corresponding frequency sweeps and analyzed by the Hilbert transform.

Structural sensitivity of Csbnd H vibrational band in methyl benzoate

NASA Astrophysics Data System (ADS)

Roy, Susmita; Maiti, Kiran Sankar

2018-05-01

The Csbnd H vibrational bands of methyl benzoate are studied to understand its coupling pattern with other vibrational bands of the biological molecule. This will facilitate to understand the biological structure and dynamics in spectroscopic as well as in microscopic study. Due to the congested spectroscopic pattern, near degeneracy, and strong anharmonicity of the Csbnd H stretch vibrations, assignment of the Csbnd H vibrational frequencies are often misleading. Anharmonic vibrational frequency calculation with multidimensional potential energy surface interprets the Csbnd H vibrational spectra more accurately. In this article we have presented the importance of multidimensional potential energy surface in anharmonic vibrational frequency calculation and discuss the unexpected red shift of asymmetric Csbnd H stretch vibration of methyl group. The Csbnd D stretch vibrational band which is splitted to double peaks due to the Fermi resonance is also discussed here.

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

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.

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

NASA Astrophysics Data System (ADS)

Morishita, Hidetada; Tamiaki, Hitoshi

2009-03-01

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

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.

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.

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.

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.

Study on vibration characteristics of the shaft system for a dredging pump based on FEM

NASA Astrophysics Data System (ADS)

Zhai, L. M.; Qin, L.; Liu, C. Y.; Liu, X.; He, L. Y.; He, Y.; Wang, Z. W.

2012-11-01

The dynamic characteristics of the shaft system for a dredging pump were studied with the Finite Element Method (FEM) by SAMCEF ROTOR. At first, the influence of the fluid-solid coupling interaction of mud water and impeller, water sealing and pump shaft on the lateral critical speeds were analyzed. The results indicated that the mud water must be taken into consideration, while the water sealing need not to. Then the effects of radial and thrust rolling bearings on the lateral critical speeds were discussed, which shows that the radial bearing close to the impeller has greatest impact on the 1st order critical speed. At last, the upper and lower limits of the critical speeds of lateral, axial and torsional vibration were calculated. The rated speed of the dredging pump was far less than the predicted critical speed, which can ensure the safe operation of the unit. Each vibration mode is also shown in this paper. This dynamic analysis method offers some reference value on the research of vibration and stability of the shaft system in dredging pump.

Raman spectral evidence of methyl rotation in liquid toluene.

PubMed

Kapitán, Josef; Hecht, Lutz; Bour, Petr

2008-02-21

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

Possibility for new PolyCO imaging: stroboscopic imaging based on vibrating capillary optics

NASA Astrophysics Data System (ADS)

Liedl, A.; Dabagov, S. B.; Della Ventura, G.; Hampai, D.; Polese, C.

2015-08-01

Polycapillary lenses are well known optical devices for radiation and charged particles. These lenses consist of thousands channels through which the signal is transmitted by total external reflection phenomenon. Their application have made possible technical improvements in different fields such as imaging, fluorescence analysis, channeling studies etc. In particular, the application of this optics coupled with conventional sources such as X-ray tubes has opened a new season for potential applications of desktop instrumentations. For instance, the usage of such lenses has enhanced the spatial coherence and the brilliance over the sample allowing better resolution and contrast for imaging purposes. In addiction, improved focusing power and confocal configuration of other lenses has improved the resolution, from both the energy and the spatial points of view, in fluorescence mapping. A recent work has addressed the behavior of the transmitted radiation through a single capillary in vibrating regime. In this work a test of using a vibrating capillary for stroboscopic imaging is presented. A sample characterized by a known periodic event is studied with a synchronized vibrating capillary.

Channel branching ratios in CH2CN- photodetachment: Rotational structure and vibrational energy redistribution in autodetachment

NASA Astrophysics Data System (ADS)

Lyle, Justin; Wedig, Olivia; Gulania, Sahil; Krylov, Anna I.; Mabbs, Richard

2017-12-01

We report photoelectron spectra of CH2CN-, recorded at photon energies between 13 460 and 15 384 cm-1, which show rapid intensity variations in particular detachment channels. The branching ratios for various spectral features reveal rotational structure associated with autodetachment from an intermediate anion state. Calculations using equation-of-motion coupled-cluster method with single and double excitations reveal the presence of two dipole-bound excited anion states (a singlet and a triplet). The computed oscillator strength for the transition to the singlet dipole-bound state provides an estimate of the autodetachment channel contribution to the total photoelectron yield. Analysis of the different spectral features allows identification of the dipole-bound and neutral vibrational levels involved in the autodetachment processes. For the most part, the autodetachment channels are consistent with the vibrational propensity rule and normal mode expectation. However, examination of the rotational structure shows that autodetachment from the ν3 (v = 1 and v = 2) levels of the dipole-bound state displays behavior counter to the normal mode expectation with the final state vibrational level belonging to a different mode.

Detection of rebar delamination using modal analysis

NASA Astrophysics Data System (ADS)

Blodgett, David W.

2003-08-01

A non-destructive method for early detection of reinforcement steel bars (re-bar) delamination in concrete structures has been developed. This method, termed modal analysis, has been shown effective in both laboratory and field experiments. In modal analysis, an audio speaker is used to generate flexural resonant modes in the re-bar in reinforced concrete structures. Vibrations associated with these modes are coupled to the surrounding concrete and propagate to the surface where they are detected using a laser vibrometer and/or accelerometer. Monitoring both the frequency and amplitude of these vibrations provides information on the bonding state of the embedded re-bar. Laboratory measurements were performed on several specially prepared concrete blocks with re-bar of varying degrees of simulated corrosion. Field measurements were performed on an old bridge about to be torn down in Howard County, Maryland and the results compared with those obtained using destructive analysis of the bridge after demolition. Both laboratory and field test results show this technique to be sensitive to re-bar delamination.

Piezoelectric Vibrational and Acoustic Alert for a Personal Communication Device

NASA Technical Reports Server (NTRS)

Woodard, Stanley E. (Inventor); Hellbaum, Richard F. (Inventor); Daugherty, Robert H. (Inventor); Scholz, Raymond C. (Inventor); Little, Bruce D. (Inventor); Fox, Robert L. (Inventor); Denhardt, Gerald A. (Inventor); Jang, SeGon (Inventor); Balein, Rizza (Inventor)

2001-01-01

An alert apparatus for a personal communication device includes a mechanically prestressed piezoelectric wafer positioned within the personal communication device and an alternating voltage input line coupled at two points of the wafer where polarity is recognized. The alert apparatus also includes a variable frequency device coupled to the alternating voltage input line, operative to switch the alternating voltage on the alternating voltage input line at least between an alternating voltage having a first frequency and an alternating voltage having a second frequency. The first frequency is preferably sufficiently high so as to cause the wafer to vibrate at a resulting frequency that produces a sound perceptible by a human ear, and the second frequency is preferably sufficiently low so as to cause the wafer to vibrate at a resulting frequency that produces a vibration readily felt by a holder of the personal communication device.

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.

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.

Ultrafast dynamics of multi-exciton state coupled to coherent vibration in zinc chlorin aggregates for artificial photosynthesis.

PubMed

Shi, Tongchao; Liu, Zhengzheng; Miyatake, Tomohiro; Tamiaki, Hitoshi; Kobayashi, Takayoshi; Zhang, Zeyu; Du, Juan; Leng, Yuxin

2017-11-27

Ultrafast vibronic dynamics induced by the interaction of the Frenkel exciton with the coherent molecular vibrations in a layer-structured zinc chlorin aggregates prepared for artificial photosynthesis have been studied by 7.1 fs real-time vibrational spectroscopy with multi-spectrum detection. The fast decay of 100 ± 5fs is ascribed to the relaxation from the higher multi-exciton state (MES) to the one-exciton state, and the slow one of 863 ± 70fs is assigned to the relaxation from Q-exciton state to the dark nonfluorescent charge-transfer (CT) state, respectively. In addition, the wavelength dependences of the exciton-vibration coupling strength are found to follow the zeroth derivative of the transient absorption spectra of the exciton. It could be explained in term of the transition dipole moment modulated by dynamic intensity borrowing between the B transition and the Q transition through the vibronic interactions.

Vibration Measurement on Reticular Lamina and Basilar Membrane at Multiple Longitudinal Locations

NASA Astrophysics Data System (ADS)

Chen, Fangyi; Zha, Dingjun; Choudhury, Niloy; Fridberger, Anders; Nuttall, Alfred L.

2011-11-01

The longitudinal distribution of the organ of Corti vibration is important for both understanding the energy delivery and the timing of the cochlear amplification. Recent development on low coherence interferomtry technique allows measuring vibration inside the cochlea. The reticular lamina (RL) vibration spectrum demonstrates that RL vibration leads the basilar membrane (BM). This phase lead is consistent with the idea that the active process may lead the BM vibration. In this study, measurements on multiple longitudinal locations demonstrated similar phase lead. Results on this study suggests that there may be another longitudinal coupling mechanism inside the cochlea other than the traveling wave on BM.

Methods of performing downhole operations using orbital vibrator energy sources

DOEpatents

Cole, Jack H.; Weinberg, David M.; Wilson, Dennis R.

2004-02-17

Methods of performing down hole operations in a wellbore. A vibrational source is positioned within a tubular member such that an annulus is formed between the vibrational source and an interior surface of the tubular member. A fluid medium, such as high bulk modulus drilling mud, is disposed within the annulus. The vibrational source forms a fluid coupling with the tubular member through the fluid medium to transfer vibrational energy to the tubular member. The vibrational energy may be used, for example, to free a stuck tubular, consolidate a cement slurry and/or detect voids within a cement slurry prior to the curing thereof.

Relationships for electron-vibrational coupling in conjugated π organic systems

NASA Astrophysics Data System (ADS)

O'Neill, L.; Lynch, P.; McNamara, M.; Byrne, H. J.

2005-06-01

A series of π conjugated systems were studied by absorption, photoluminescence and vibrational spectroscopy. As is common for these systems, a linear relationship between the positioning of the absorption and photoluminescence maxima plotted against inverse conjugation length is observed. The relationships are in good agreement with the simple particle in a box method, one of the earliest descriptions of the properties of one-dimensional organic molecules. In addition to the electronic transition energies, it was observed that the Stokes shift also exhibited a well-defined relationship with increasing conjugation length, implying a correlation between the electron-vibrational coupling and chain length. This correlation is further examined using Raman spectroscopy, whereby the integrated Raman scattering is seen to behave superlinearly with chain length. There is a clear indication that the vibrational activity and thus nonradiative decay processes are controllable through molecular structure. The correlations between the Stokes energies and the vibrational structure are also observed in a selection of PPV based polymers and a clear trend of increasing luminescence efficiency with decreasing vibrational activity and Stokes shift is observable. The implications of such structure property relationships in terms of materials design are discussed.

Method of vibration isolating an aircraft engine

NASA Technical Reports Server (NTRS)

Bender, Stanley I. (Inventor); Butler, Lawrence (Inventor); Dawes, Peter W. (Inventor)

1991-01-01

A method for coupling an engine to a support frame for mounting to a fuselage of an aircraft using a three point vibration isolating mounting system in which the load reactive forces at each mounting point are statically and dynamically determined. A first vibration isolating mount pivotably couples a first end of an elongated support beam to a stator portion of an engine with the pivoting action of the vibration mount being oriented such that it is pivotable about a line parallel to a center line of the engine. An aft end of the supporting frame is coupled to the engine through an additional pair of vibration isolating mounts with the mounts being oriented such that they are pivotable about a circumference of the engine. The aft mounts are symmetrically spaced to each side of the supporting frame by 45 degrees. The relative orientation between the front mount and the pair of rear mounts is such that only the rear mounts provide load reactive forces parallel to the engine center line, in support of the engine to the aircraft against thrust forces. The forward mount is oriented so as to provide only radial forces to the engine and some lifting forces to maintain the engine in position adjacent a fuselage. Since each mount is connected to provide specific forces to support the engine, forces required of each mount are statically and dynamically determinable.

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.

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

Piezoelectric coupling factor calculations for plates of langatate driven in simple thickness modes by lateral-field-excitation.

PubMed

Khan, Ajmal; Ballato, Arthur

2002-07-01

Piezoelectric coupling factors for langatate (La3Ga5.5Ta0.5O14) single-crystals driven by lateral-field-excitation have been calculated using the extended Christoffel-Bechmann method. Calculations were made using published materials constants. The results are presented in terms of the lateral piezoelectric coupling factor as functions of in-plane (azimuthal) rotation angle for the three simple thickness vibration modes of some non-rotated, singly-rotated, and doubly-rotated orientations. It is shown that lateral-field-excitation offers the potential to eliminate unwanted vibration modes and to achieve considerably greater piezoelectric coupling versus thickness-field-excitation for the rotated cuts considered and for a doubly-rotated cut that is of potential technological interest.

Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states with split Wigner pseudospectral approach. II. Improvements and tests of additional potentials

NASA Astrophysics Data System (ADS)

Fellers, R. S.; Braly, L. B.; Saykally, R. J.; Leforestier, C.

1999-04-01

The SWPS method is improved by the addition of H.E.G. contractions for generating a more compact basis. An error in the definition of the internal fragment axis system used in our previous calculation is described and corrected. Fully coupled 6D (rigid monomers) VRT states are computed for several new water dimer potential surfaces and compared with experiment and our earlier SWPS results. This work sets the stage for refinement of such potential surfaces via regression analysis of VRT spectroscopic data.

Substrate influence on the interlayer electron-phonon couplings in fullerene films probed with doubly-resonant SFG spectroscopy.

PubMed

Elsenbeck, Dennis; Das, Sushanta K; Velarde, Luis

2017-07-19

We present doubly-resonant sum frequency generation (DR-SFG) spectra of fullerene thin films on metallic and dielectric substrates as a way to investigate the interplay between nuclear and electronic coupling at buried interfaces. Modal and substrate selectivity in the electronic enhancement of the C 60 vibrational signatures is demonstrated for excitation wavelengths spanning the visible range. While the SFG response of the totally symmetric A g (2) mode of fullerene is distinctly coupled to the optically allowed electronic transition corresponding to the HOMO-LUMO+1 of C 60 (ca. 2.6 eV), the T 1u (4) vibrational mode appears to be coupled to a symmetry-forbidden HOMO-LUMO transition at lower energies (ca. 2.0 eV). For dielectric substrates, the DR-SFG intensity of the T 1u (4) mode shows lack of enhancement for upconversion wavelengths off-resonance with the optically-dark LUMO. However, the T 1u (4) mode shows a unique coupling to an intermediate state (∼2.4 eV) only for the fullerene films on the gold substrate. We attribute this coupling to unique interactions at the buried C 60 /gold interface. These results demonstrate the occurrence of clear electron-phonon couplings at the C 60 /substrate interfaces and shed light on the impact of these couplings on the optical response of electronically excited fullerene. This coupling may influence charge and energy transport in organic electronic devices mediated by vibrational motions. We also demonstrate a potential use of this added selectivity in chemical imaging.

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.

Intramolecular Vibrational Energy Redistribution (ivr) in Selected S_{1} Levels above 1000 cm^{-1} in Para-Fluorotoluene

NASA Astrophysics Data System (ADS)

Whalley, Laura E.; Gardner, Adrian M.; Tuttle, William Duncan; Davies, Julia A.; Reid, Katharine L.; Wright, Timothy G.

2017-06-01

With increasing vibrational wavenumber, the density of states of a molecule is expected to rise dramatically, especially so when low wavenumber torsions (internal rotations) are present, as in the case of para-fluorotoluene (pFT). This in turn is expected to lead to more opportunities for coupling between vibrational modes, which is the driving force for intramolecular vibrational energy redistribution (IVR). Previous studies at higher energies have focussed on the two close lying vibrational levels at 1200 cm^{-1} in the S_{1} electronic state of pFT which were assigned to two zero-order bright states (ZOBSs), whose characters predominantly involve C-CH_{3} and C-F stretching modes. A surprising result of these studies was that the photoelectron spectra showed evidence that IVR is more extensive following excitation of the C-F mode than it is following excitation of the C-CH_{3} mode, despite these levels being separated by only 35 cm^{-1}. This observation provides evidence that the IVR dynamics are mode-specific, which in turn may be a consequence of the IVR route being dependent on couplings to nearby states that are only available to the C-F mode. In this work, in order to further investigate this behaviour, we have employed resonance-enhanced multiphoton ionisation (REMPI) spectroscopy and zero-kinetic-energy (ZEKE) spectroscopy to probe S_{1} levels above 1000 cm^{-1} in pFT. Such ZEKE spectra have been recorded via a number of S_{1} intermediate levels allowing the character and coupling between vibrations to be unravelled; the consequence of this coupling will be discussed with a view to understanding any IVR dynamics seen. C. J. Hammond, V. L. Ayles, D. E. Bergeron, K. L. Reid and T. G. Wright, J. Chem. Phys., 125, 124308 (2006) J. A. Davies, A. M. Green, A. M. Gardner, C. D. Withers, T. G. Wright and K. L. Reid, Phys. Chem. Chem. Phys., 16, 430 (2014)

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.

FTIR, FT-Raman, UV-Visible spectra and quantum chemical calculations of allantoin molecule and its hydrogen bonded dimers.

PubMed

Alam, Mohammad Jane; Ahmad, Shabbir

2015-02-05

FTIR, FT-Raman and electronic spectra of allantoin molecule are recorded and investigated using DFT and MP2 methods with 6-311++G(d,p) basis set. The molecular structure, anharmonic vibrational spectra, natural atomic charges, non-linear optical properties, etc. have been computed for the ground state of allantoin. The anharmonic vibrational frequencies are calculated using PT2 algorithm (Barone method) as well as VSCF and CC-VSCF methods. These methods yield results that are in remarkable agreement with the experiment. The coupling strengths between pairs of modes are also calculated using coupling integral based on 2MR-QFF approximation. The simulations on allantoin dimers have been also performed at B3LYP/6-311++G(d,p) level of theory to investigate the effect of the intermolecular interactions on the molecular structure and vibrational frequencies of the monomer. Vibrational assignments are made with the great accuracy using PED calculations and animated modes. The combination and overtone bands have been also identified in the FTIR spectrum with the help of anharmonic computations. The electronic spectra are simulated in gas and solution at TD-B3LYP/6-311++G(d,p) level of theory. The important global quantities such as electro-negativity, electronic chemical potential, electrophilicity index, chemical hardness and softness based on HOMO, LUMO energy eigenvalues are also computed. NBO analysis has been performed for monomer and dimers of allantoin at B3LYP/6-311++G(d,p) level of theory. Copyright © 2014 Elsevier B.V. All rights reserved.

Torsional Splitting in the Degenerate Vibrational States of (70)Ge(2)H(6): Rotation-Torsion Analysis of the nu(7) and nu(9) Fundamentals.

PubMed

Lattanzi; di Lauro C; Bürger; Mkadmi

2000-09-01

The rotational and torsional structure of the nu(7) and nu(9) degenerate fundamentals of (70)Ge(2)H(6) has been analyzed under high resolution. The torsional structure of both v(7) = 1 and v(9) = 1 states can be fitted by a simple one-parameter formula. The x,y-Coriolis interaction with the parallel nu(5) fundamental was accounted for in the analysis of nu(7). A strong perturbation of the J structure of the E(3s) torsional component of the KDeltaK = -2 subbranches of nu(9) can be explained by the resonance with an E(3s) excited level of the pure torsional manifold. The perturber is centered at 361.58 cm(-1), very close to the value estimated with a barrier height of 285 cm(-1). This confirms that the fundamental torsional wavenumber is close to 103 cm(-1), in good agreement with the "ab initio" prediction. The torsional splittings of all the infrared active degenerate fundamentals, nu(7), nu(8), and nu(9), follow the trend predicted by theory, and have been fitted by exploratory calculations accounting only for the torsional Coriolis-coupling mechanism of all degenerate vibrational fundamentals in several torsional states. This confirms that torsional Coriolis coupling is the dominant mechanism responsible for the decrease of the torsional splitting in the degenerate vibrational states. A higher value of the barrier had to be used for the nu(9) mode. Copyright 2000 Academic Press.

Understanding How Acoustic Vibrations Modulate the Optical Response of Plasmonic Metal Nanoparticles

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

Ahmed, Aftab; Pelton, Matthew; Guest, Jeffrey R.

Measurements of acoustic vibrations in nanoparticles provide a unique opportunity to study mechanical phenomena at nanometer length scales and picosecond time scales. Vibrations in noble-metal nanoparticles have attracted particular attention, because they couple to plasmon resonances in the nanoparticles, leading to strong modulation of optical absorption and scattering. There are three mechanisms that transduce the mechanical oscillations into changes in the plasmon resonance: (1) changes in polarizability due to changes in the nanoparticle geometry; (2) changes in electron density due to changes in the nanoparticle volume and (3) changes in the interband transition energies due to compression/expansion of the nanoparticlemore » (deformation potential). These mechanisms have been studied in the past to explain the origin of the experimental signals; however, a thorough quantitative connection between the coupling of phonon and plasmon modes and separate contribution of each coupling mechanism has not yet been made. Here, we present a numerical method to quantitatively determine the coupling between vibrational and plasmon modes in noble-metal nanoparticles of arbitrary geometries, and apply it to spheres, shells, rods, and cubes in the context of time resolved measurements. We separately determine the parts of the optical response that are due to shape changes, changes in electron density, and changes in deformation potential (DP). We further show that coupling is in general strongest when the regions of largest electric field (plasmon mode) and largest displacement (phonon mode) overlap. Lastly, these results clarify reported experimental results, and should help guide future experiments and potential applications.« less

Understanding How Acoustic Vibrations Modulate the Optical Response of Plasmonic Metal Nanoparticles

DOE PAGES

Ahmed, Aftab; Pelton, Matthew; Guest, Jeffrey R.

2017-08-17

Measurements of acoustic vibrations in nanoparticles provide a unique opportunity to study mechanical phenomena at nanometer length scales and picosecond time scales. Vibrations in noble-metal nanoparticles have attracted particular attention, because they couple to plasmon resonances in the nanoparticles, leading to strong modulation of optical absorption and scattering. There are three mechanisms that transduce the mechanical oscillations into changes in the plasmon resonance: (1) changes in polarizability due to changes in the nanoparticle geometry; (2) changes in electron density due to changes in the nanoparticle volume and (3) changes in the interband transition energies due to compression/expansion of the nanoparticlemore » (deformation potential). These mechanisms have been studied in the past to explain the origin of the experimental signals; however, a thorough quantitative connection between the coupling of phonon and plasmon modes and separate contribution of each coupling mechanism has not yet been made. Here, we present a numerical method to quantitatively determine the coupling between vibrational and plasmon modes in noble-metal nanoparticles of arbitrary geometries, and apply it to spheres, shells, rods, and cubes in the context of time resolved measurements. We separately determine the parts of the optical response that are due to shape changes, changes in electron density, and changes in deformation potential (DP). We further show that coupling is in general strongest when the regions of largest electric field (plasmon mode) and largest displacement (phonon mode) overlap. Lastly, these results clarify reported experimental results, and should help guide future experiments and potential applications.« less

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

Zhou, Min-Kang; Xiong, Xin; Chen, Le-Le

An ultra-low frequency active vibration isolator, simultaneously suppressing three-dimensional vibration noise, is demonstrated experimentally. The equivalent natural period of the isolator is 100 s and 12 s for the vertical and horizontal direction, respectively. The vibration noise in the vertical direction is about 50 times reduced during 0.2 and 2 Hz, and 5 times reduced in the other two orthogonal directions in the same frequency range. This isolator is designed for atom gravimeters, especially suitable for the gravimeter whose sensitivity is limited by vibration couplings.

Heavy Atom Vibrational Modes and Low-Energy Vibrational Autodetachment in Nitromethane Anions

NASA Astrophysics Data System (ADS)

Thompson, Michael C.; Baraban, Joshua H.; Stanton, John F.; Weber, J. Mathias

2015-06-01

We use Ar predissociation and vibrational autodetachment below 2100 wn to obtain vibrational spectra of the low-energy modes of nitromethane anion. We interpret the spectra using anharmonic calculations, which reveal strong mode coupling and Fermi resonances. Not surprisingly, the number of evaporated Ar atoms varies with photon energy, and we follow the propensity of evaporating two versus one Ar atoms as photon energy increases. The photodetachment spectrum is discussed in the context of threshold effects and the importance of hot bands.

Vibronic structure and coupling of higher excited electronic states in carotenoids

NASA Astrophysics Data System (ADS)

Krawczyk, Stanisław; Luchowski, Rafał

2013-03-01

Absorption spectra of all-trans carotenoids (lycopene, violaxanthin, ζ-carotene) at low temperature exhibit peculiar features in the UV range. The transition to the 11Ag+ state ('cis-band') weakens on cooling, indicating that it is induced by thermal deformations of the conjugated chain. The higher energy band has unique vibrational structure indicating the vibronic coupling of nBu with another electronic state. The electroabsorption spectra point to the electric field-induced mixing of the nBu state with the vibrational continuum of a lower-lying excited state (Fano effect). These observations widen the basis for elucidation of the vibronic coupling effects in the lower excited states.

Multidimensional Time-Resolved Spectroscopy of Vibrational Coherence in Biopolyenes

NASA Astrophysics Data System (ADS)

Buckup, Tiago; Motzkus, Marcus

2014-04-01

Multidimensional femtosecond time-resolved vibrational coherence spectroscopy allows one to investigate the evolution of vibrational coherence in electronic excited states. Methods such as pump-degenerate four-wave mixing and pump-impulsive vibrational spectroscopy combine an initial ultrashort laser pulse with a nonlinear probing sequence to reinduce vibrational coherence exclusively in the excited states. By carefully exploiting specific electronic resonances, one can detect vibrational coherence from 0 cm-1 to over 2,000 cm-1 and map its evolution. This review focuses on the observation and mapping of high-frequency vibrational coherence for all-trans biological polyenes such as β-carotene, lycopene, retinal, and retinal Schiff base. We discuss the role of molecular symmetry in vibrational coherence activity in the S1 electronic state and the interplay of coupling between electronic states and vibrational coherence.

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.

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.

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.

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.

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

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.

Explicitly correlated coupled cluster calculations for propadienylidene (H(2)CCC).

PubMed

Botschwina, Peter; Oswald, Rainer

2010-09-16

Propadienylidene (H(2)CCC), a reactive carbene of interest to combustion processes and astrochemistry, has been studied by explicitly correlated coupled cluster theory at the CCSD(T)-F12x (x = a, b) level. Vibrational configuration interaction (VCI) has been employed to calculate accurate wavenumbers for the fundamental vibrations of H(2)CCC, D(2)CCC, and HDCCC. The symmetric CH stretching vibration of H(2)CCC is predicted to occur at ν(1) = 2984 cm(-1). Absorptions observed by argon matrix infrared spectroscopy at 3049.5 and 3059.6 cm(-1) are reassigned to the combination tone ν(2) + ν(4), which interacts with ν(1) and is predicted to have a higher intensity than the latter. Furthermore, IR bands detected at 865.4 and 868.8 cm(-1) are assigned to ν(6)(HDCCC), and those observed at 904.0 and 909.8 cm(-1) are assigned to the out-of-plane bending vibration ν(8)(HDCCC). An accurate value of 79.8 +/- 0.2 kJ mol(-1) is recommended for the zero-point vibrational energy of H(2)CCC.

Investigation of Rotor Performance and Loads of a UH-60A Individual Blade Control System

NASA Technical Reports Server (NTRS)

Yeo, Hyeonsoo; Romander, Ethan A.; Norman, Thomas R.

2011-01-01

Wind tunnel measurements of performance, loads, and vibration of a full-scale UH-60A Black Hawk main rotor with an individual blade control (IBC) system are compared with calculations obtained using the comprehensive helicopter analysis CAMRAD II and a coupled CAMRAD II/OVERFLOW 2 analysis. Measured data show a 5.1% rotor power reduction (8.6% rotor lift to effective-drag ratio increase) using 2/rev IBC actuation with 2.0 amplitude at = 0.4. At the optimum IBC phase for rotor performance, IBC actuator force (pitch link force) decreased, and neither flap nor chord bending moments changed significantly. CAMRAD II predicts the rotor power variations with the IBC phase reasonably well at = 0.35. However, the correlation degrades at = 0.4. Coupled CAMRAD II/OVERFLOW 2 shows excellent correlation with the measured rotor power variations with the IBC phase at both = 0.35 and = 0.4. Maximum reduction of IBC actuator force is better predicted with CAMRAD II, but general trends are better captured with the coupled analysis. The correlation of vibratory hub loads is generally poor by both methods, although the coupled analysis somewhat captures general trends.

Investigation of Rotor Performance and Loads of a UH-60A Individual Blade Control System

NASA Technical Reports Server (NTRS)

Yeo, Hyeonsoo; Romander, Ethan A.; Norman, Thomas R.

2011-01-01

Wind tunnel measurements of performance, loads, and vibration of a full-scale UH-60A Black Hawk main rotor with an individual blade control (IBC) system are compared with calculations obtained using the comprehensive helicopter analysis CAMRAD II and a coupled CAMRAD II/OVERFLOW 2 analysis. Measured data show a 5.1% rotor power reduction (8.6% rotor lift to effective-drag ratio increase) using 2/rev IBC actuation with 2.0. amplitude at u = 0.4. At the optimum IBC phase for rotor performance, IBC actuator force (pitch link force) decreased, and neither flap nor chord bending moments changed significantly. CAMRAD II predicts the rotor power variations with IBC phase reasonably well at u = 0.35. However, the correlation degrades at u = 0.4. Coupled CAMRAD II/OVERFLOW 2 shows excellent correlation with the measured rotor power variations with IBC phase at both u = 0.35 and u = 0.4. Maximum reduction of IBC actuator force is better predicted with CAMRAD II, but general trends are better captured with the coupled analysis. The correlation of vibratory hub loads is generally poor by both methods, although the coupled analysis somewhat captures general trends.

The Coupling of Flexural Propeller Vibrations with the Torsional Crankshaft Vibrations

NASA Technical Reports Server (NTRS)

Meyer, J.

1943-01-01

The exact mathematical treatment of the problem is possible by replacing the propeller blade by a homogeneous prismatic rod. Conclusions can them be drawn as to the behavior of an actual propeller, since tests on propeller blades have indicated a qualitative agreement with the homogeneous rod. The natural frequencies are determined and the stressing of the systems under the various vibration modes are discussed.

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.

Squeaking friction phenomena in ceramic hip endoprosthesis: Modeling and experimental validation

NASA Astrophysics Data System (ADS)

Ouenzerfi, G.; Massi, F.; Renault, E.; Berthier, Y.

2015-06-01

The modern evolution of ceramic bearing surfaces for total hip arthroplasty has allowed longer implant longevity with lower amounts of osteolysis. It has been applied to younger patient expecting improved survivorship compared with traditional bearing surfaces. However, the phenomenon of an audible squeaking produced by implants during daily activities is reported as an annoying complication for patients. Although recent studies have been carried out on this topic, the origin of squeaking and the analysis of factors leading to this phenomenon are not completely identified. Numerical analyses are still not able to reproduce precisely the in vitro and in vivo observations. The lack of understanding on the physics of this issue is still an obstacle to find appropriate solutions to prevent it. In this paper, numerical and experimental approaches to reproduce squeaking are presented. A pre-stressed modal analysis is performed to identify the unstable eigenfrequencies that cause the vibrations and the perceived acoustic emission. The numerical results are validated by experiments on a laboratory test bench and the predicted frequencies are compared to the squeaking frequencies that can be found both in vitro and in vivo. The natural frequencies related to the femoral components are closer to the observed squeaking frequency. Simulations results confirmed that these vibrations are related to the stem dynamic response, which has a strong influence on the squeaking characteristic. In the other hand, the cup and the ceramic components play a main indirect role providing the frictional pair between the head and the liner. The analysis suggests that one of the possible mechanisms at the origin of squeaking is the modal coupling of two modes of vibration of the stem under frictional contact. The numerical model will allow for identifying the dominant factors and parameters affecting squeaking in order to avoid the unstable mode coupling. Squeaking can be reduced clinically by minimizing friction rising factors (such edge loading and situations promoting metal transfer or stripe wear) or by developing endoprosthesis design to avoid the unstable vibrations, regressing the squeaking emission to a negligible phenomenon.

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

PubMed

Nosek, Jaroslav; Pustka, Martin

2006-01-01

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

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

Zheng, Renhui; Sun, Yuanyuan; Song, Kai

Recent experimental studies have shown that the vibrational dynamics of free OH groups at the water-air interface is significantly different from that in bulk water. In this work, by performing molecular dynamics simulations and mixed quantum/classical calculations, we investigate different vibrational energy transfer pathways of free OH groups at the water-air interface. The calculated intramolecular vibrational energy transfer rate constant and the free OH bond reorientation time scale agree well with the experiment. It is also found that, due to the small intermolecular vibrational couplings, the intermolecular vibrational energy transfer pathway that is very important in bulk water plays amore » much less significant role in the vibrational energy relaxation of the free OH groups at the water-air interface.« less

Two-dimensional infrared spectroscopy of intermolecular hydrogen bonds in the condensed phase.

PubMed

Elsaesser, Thomas

2009-09-15

Hydrogen bonding plays a key role in the structural, physical, and chemical properties of liquids such as water and in macromolecular structures such as proteins. Vibrational spectroscopy is an important tool for understanding hydrogen bonding because it provides a way to observe local molecular geometries and their interaction with the environment. Linear vibrational spectroscopy has mapped characteristic changes of vibrational spectra and the occurrence of new bands that form upon hydrogen bonding. However, linear vibrational spectroscopy gives very limited insight into ultrafast dynamics of the underlying molecular interactions, such as the motions of hydrogen-bonded groups, energy dissipation and delocalization, and the fluctuations within hydrogen-bonded structures that occur in the ultrafast time domain. Nonlinear vibrational spectroscopy with its femtosecond time resolution can discern these dynamic processes in real time and has emerged as an important tool for unraveling molecular dynamics and for quantifying interactions that govern the vibrational and structural dynamics of hydrogen bonds. This Account reviews recent progress originating from third-order nonlinear methods of coherent multidimensional vibrational spectroscopy. Ultrafast dynamics of intermolecular hydrogen bonds are addressed for a number of prototype systems: hydrogen-bonded carboxylic acid dimers in an aprotic liquid environment, the disordered fluctuating hydrogen-bond network of liquid water, and DNA oligomers interacting with water. Cyclic carboxylic acid dimers display a rich scheme of vibrational couplings, resulting in OH stretching absorption bands with highly complex spectral envelopes. Two-dimensional spectroscopy of acetic acid dimers in a nonpolar liquid environment demonstrates that multiple Fermi resonances of the OH stretching mode with overtones and combination tones of fingerprint vibrations dominate both the 2D and linear absorption spectra. The coupling of the OH stretching mode with low-frequency hydrogen-bonding modes leads to additional progressions and coherent low-frequency hydrogen-bond motions in the subpicosecond time domain. In water, the 2D spectra reveal ultrafast spectral diffusion on a sub-100 fs time scale caused by the ultrafast structural fluctuations of the strongly coupled hydrogen-bond network. Librational motions play a key role for the ultrafast loss of structural memory. Spectral diffusion rates are enhanced by resonant transfer of OH stretching quanta between water molecules, typically occurring on a 100 fs time scale. In DNA oligomers, femtosecond nonlinear vibrational spectroscopy resolves NH and OH stretching bands in the highly congested infrared spectra of these molecules, which contain alternating adenine-thymine pairs. Studies at different levels of hydration reveal the spectral signatures of water molecules directly interacting with the phosphate groups of DNA and of a second water species forming a fluctuating environment around the DNA oligomers. We expect that the application of 2D infrared spectroscopy in an extended spectral range will reveal the intrinsic coupling between water and specific functional units of DNA.

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).

V-T theory for the Self-Intermediate Scattering Function in a Monatomic Liquid

DOE PAGES

Wallace, Duane C.; Chisolm, Eric D.; De Lorenzi-Venneri, Giulia

2016-12-12

In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valleys. Here, in its first application to the self intermediate scattering function (SISF), V-T theory produced an accurate account of molecular dynamics (MD) data at all wave numbers q and time t. Recently, analysis of the mean square displacement (MSD) resolved a crossover behavior that was not observed in the SISF study. Our purpose here is to apply the more accurate MSD calibration to the SISF, and assess the results. We derive andmore » discuss the theoretical equations for vibrational and transit contributions to the SISF. The time evolution is divided into three successive intervals: the vibrational interval when the vibrational contribution alone accurately accounts for the MD data; the crossover when the vibrational contribution saturates and the transit contribution becomes resolved; and the diffusive interval when the transit contribution alone accurately accounts for the MD data. Finally, the resulting theoretical error is extremely small at all q and t. V-T theory is compared to mode-coupling theories for the MSD and SISF, and to recent developments in Brownian motion experiments and theory.« less

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

Electron-phonon coupling in superconducting β-PdBi{sub 2}

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2015-06-24

We have studied the electronic, transport and vibrational properties of low temperature superconductor β-PdBi{sub 2}. The band manifold clearly demonstrates the 2D-layered structure with multiple gaps. The intersection of bands at E{sub F} in the Γ-P, Γ-N directions gives rise to complicated Fermi surface topology, which contains quite complicated multiple connected sheets, as well as hole and electron-like pockets. From the low temperature specific heat, we have estimated the electron-phonon coupling constant λ{sub el-ph} which has a very high value of 3.66. The vibrational properties clearly illustrates that the strong coupling makes the lattice unstable. The calculated properties confirm thatmore » β-PdBi{sub 2} is an intermediate coupling superconductor.« less

Ultrasonically-assisted Polymer Molding: An Evaluation

NASA Astrophysics Data System (ADS)

Moles, Matthew; Roy, Anish; Silberschmidt, Vadim

Energy reduction in extrusion and injection molding processes can be achieved by the introduction of ultrasonic energy. Polymer flow can be enhanced on application of ultrasonic vibration, which can reduce the thermal and pressure input requirements to produce the same molding; higher productivity may also be achieved. In this paper, a design of an ultrasound-assisted injection mold machine is explored. An extrusion-die design was augmented with a commercial 1.5 kW ultrasonic transducer and sonotrode designed to resonate close to 20 kHz with up to 100 μm vibration amplitude. The design was evaluated with modal and thermal analysis using finite-element analysis software. The use of numerical techniques, including computational fluid dynamics, fluid-structure interaction and coupled Lagrangian-Eulerian method, to predict the effect of ultrasound on polymer flow was considered. A sonotrode design utilizing ceramic to enhance thermal isolation was also explored.

Dynamical and electronic properties of rare-earth aluminides

NASA Astrophysics Data System (ADS)

Sharma, Ramesh; Sharma, Yamini

2018-04-01

Rare-earth dialuminides belong to a large family of compounds that stabilize in cubic MgCu2 structure. A large number of these compounds are superconducting, amongst these YAl2, LaAl2 and LuAl2 have been chosen as reference materials for studying 4f-electron systems. In order to understand the role of the RE atoms, we have applied the FPLAPW and PAW methods within the density functional theory (DFT). Our results show that the contribution of RE atoms is dominant in both electronic structure and phonon dispersion. The anomalous behavior of superconducting LaAl2 is well explained from an analysis of the electron localization function (ELF), Bader charge analysis, density of electronic states as well as the dynamical phonon vibrational modes. The interaction of phonon modes contributed by low frequency vibrations of La atoms with the high density La 5d-states at EF in LaAl2 lead to strong electron-phonon coupling.

Synchrotron-based far-infrared spectroscopy of furan: Rotational analysis of the ν 14 , ν 11 , ν 18 and ν 19 vibrational levels

NASA Astrophysics Data System (ADS)

Tokaryk, D. W.; Culligan, S. D.; Billinghurst, B. E.; van Wijngaarden, J. A.

2011-11-01

Four vibrational levels of the five-membered ring molecule furan (C 4H 4O) have been rotationally analyzed from far-infrared Fourier transform spectra obtained at the Canadian Light Source synchrotron. We found that the low-lying ν14 and ν11 levels at 602.9 and 599.6 cm -1 interact through a second-order Coriolis resonance. This perturbation was characterized through a coupled analysis of the ν14 and ν18 fundamental spectra and the ν18- ν11 band. The ν19 fundamental spectrum was analyzed as well, and the data for all observed bands were combined with previously reported microwave transitions to produce the final fit. The spectra are an excellent demonstration of the high quality of data that can be obtained when far-infrared synchrotron radiation is used as the radiation source in Fourier transform spectroscopy experiments.

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.

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

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

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

NASA Technical Reports Server (NTRS)

Chaban, Galina M.; Gerber, R. Benny

2002-01-01

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

A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF

NASA Astrophysics Data System (ADS)

Yang, Dongzheng; Huang, Jing; Zuo, Junxiang; Hu, Xixi; Xie, Daiqian

2018-05-01

A full-dimensional ab initio potential energy surface for the H2-HF van der Waals complex was constructed by employing the coupled-cluster singles and doubles with noniterative inclusion of connected triples with augmented correlation-consistent polarised valence quadruple-zeta basis set plus bond functions. Using the improved coupled-states approximation including the nearest neighbor Coriolis couplings, we calculated the state-to-state scattering dynamics for pure rotational and ro-vibrational energy transfer processes. For pure rotational energy transfer, our results showed a different dynamical behavior for para-H2 and ortho-H2 in collision with hydrogen fluoride (HF), which is consistent with the previous study. Interestingly, some strong resonant peaks were presented in the cross sections for ro-vibrational energy transfer. In addition, the calculated vibrational-resolved rate constant is in agreement with the experimental results reported by Bott et al. These dynamics data can be further applied to the numerical simulation of HF chemical lasers.

Direct observation of coherent energy transfer in nonlinear micromechanical oscillators

DOE PAGES

Chen, Changyao; Zanette, Damian H.; Czaplewski, David A.; ...

2017-05-26

Energy dissipation is an unavoidable phenomenon of physical systems that are directly coupled to an external environmental bath. In an oscillatory system, it leads to the decay of the oscillation amplitude. In situations where stable oscillations are required, the energy dissipated by the vibrations is usually compensated by replenishment from external energy sources. Consequently, if the external energy supply is removed, the amplitude of oscillations start to decay immediately, since there is no means to restitute the energy dissipated. Here, we demonstrate a novel dissipation engineering strategy that can support stable oscillations without supplying external energy to compensate losses. Themore » fundamental intrinsic mechanism of resonant mode coupling is used to redistribute and store mechanical energy among vibrational modes and coherently transfer it back to the principal mode when the external excitation is off. To experimentally demonstrate this phenomenon, we exploit the nonlinear dynamic response of microelectromechanical oscillators to couple two different vibrational modes through an internal resonance.« less

A coupled channel study of HN2 unimolecular decay based on a global ab initio potential surface

NASA Technical Reports Server (NTRS)

Koizumi, Hiroyasu; Schatz, George C.; Walch, Stephen P.

1991-01-01

The unimolecular decay lifetimes of several vibrational states of HN2 are determined on the basis of an accurate coupled channel dynamics study using a global analytical potential surface. The surface reproduces the ab initio points with an rms error of 0.08 kcal/mol for energies below 20 kcal/mol. Modifications to the potential that describe the effect of improving the basis set in the ab initio calculations are provided. Converged coupled channel calculations are performed for the ground rotational state of HN2 to determine the lifetimes of the lowest ten vibrational states. Only the ground vibrational state (000) and first excited bend (001) are found to have lifetimes longer than 1 ps. The lifetimes of these states are estimated at 3 x 10 to the -9th and 2 x 10 to the -10th s, respectively. Variation of these results with quality of the ab initio calculations is not more than a factor of 5.

Direct observation of coherent energy transfer in nonlinear micromechanical oscillators

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

Chen, Changyao; Zanette, Damian H.; Czaplewski, David A.

Energy dissipation is an unavoidable phenomenon of physical systems that are directly coupled to an external environmental bath. In an oscillatory system, it leads to the decay of the oscillation amplitude. In situations where stable oscillations are required, the energy dissipated by the vibrations is usually compensated by replenishment from external energy sources. Consequently, if the external energy supply is removed, the amplitude of oscillations start to decay immediately, since there is no means to restitute the energy dissipated. Here, we demonstrate a novel dissipation engineering strategy that can support stable oscillations without supplying external energy to compensate losses. Themore » fundamental intrinsic mechanism of resonant mode coupling is used to redistribute and store mechanical energy among vibrational modes and coherently transfer it back to the principal mode when the external excitation is off. To experimentally demonstrate this phenomenon, we exploit the nonlinear dynamic response of microelectromechanical oscillators to couple two different vibrational modes through an internal resonance.« less

A micro-vibration generated method for testing the imaging quality on ground of space remote sensing

NASA Astrophysics Data System (ADS)

Gu, Yingying; Wang, Li; Wu, Qingwen

2018-03-01

In this paper, a novel method is proposed, which can simulate satellite platform micro-vibration and test the impact of satellite micro-vibration on imaging quality of space optical remote sensor on ground. The method can generate micro-vibration of satellite platform in orbit from vibrational degrees of freedom, spectrum, magnitude, and coupling path. Experiment results show that the relative error of acceleration control is within 7%, in frequencies from 7Hz to 40Hz. Utilizing this method, the system level test about the micro-vibration impact on imaging quality of space optical remote sensor can be realized. This method will have an important applications in testing micro-vibration tolerance margin of optical remote sensor, verifying vibration isolation and suppression performance of optical remote sensor, exploring the principle of micro-vibration impact on imaging quality of optical remote sensor.

Efficient sensitivity analysis and optimization of a helicopter rotor

NASA Technical Reports Server (NTRS)

Lim, Joon W.; Chopra, Inderjit

1989-01-01

Aeroelastic optimization of a system essentially consists of the determination of the optimum values of design variables which minimize the objective function and satisfy certain aeroelastic and geometric constraints. The process of aeroelastic optimization analysis is illustrated. To carry out aeroelastic optimization effectively, one needs a reliable analysis procedure to determine steady response and stability of a rotor system in forward flight. The rotor dynamic analysis used in the present study developed inhouse at the University of Maryland is based on finite elements in space and time. The analysis consists of two major phases: vehicle trim and rotor steady response (coupled trim analysis), and aeroelastic stability of the blade. For a reduction of helicopter vibration, the optimization process requires the sensitivity derivatives of the objective function and aeroelastic stability constraints. For this, the derivatives of steady response, hub loads and blade stability roots are calculated using a direct analytical approach. An automated optimization procedure is developed by coupling the rotor dynamic analysis, design sensitivity analysis and constrained optimization code CONMIN.

Parametric study of fluid flow manipulation with piezoelectric macrofiber composite flaps

NASA Astrophysics Data System (ADS)

Sadeghi, O.; Tarazaga, P.; Stremler, M.; Shahab, S.

2017-04-01

Active Fluid Flow Control (AFFC) has received great research attention due to its significant potential in engineering applications. It is known that drag reduction, turbulence management, flow separation delay and noise suppression through active control can result in significantly increased efficiency of future commercial transport vehicles and gas turbine engines. In microfluidics systems, AFFC has mainly been used to manipulate fluid passing through the microfluidic device. We put forward a conceptual approach for fluid flow manipulation by coupling multiple vibrating structures through flow interactions in an otherwise quiescent fluid. Previous investigations of piezoelectric flaps interacting with a fluid have focused on a single flap. In this work, arrays of closely-spaced, free-standing piezoelectric flaps are attached perpendicular to the bottom surface of a tank. The coupling of vibrating flaps due to their interacting with the surrounding fluid is investigated in air (for calibration) and under water. Actuated flaps are driven with a harmonic input voltage, which results in bending vibration of the flaps that can work with or against the flow-induced bending. The size and spatial distribution of the attached flaps, and the phase and frequency of the input actuation voltage are the key parameters to be investigated in this work. Our analysis will characterize the electrohydroelastic dynamics of active, interacting flaps and the fluid motion induced by the system.

Third-Order Spectral Techniques for the Diagnosis of Motor Bearing Condition Using Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Yang, D.-M.; Stronach, A. F.; MacConnell, P.; Penman, J.

2002-03-01

This paper addresses the development of a novel condition monitoring procedure for rolling element bearings which involves a combination of signal processing, signal analysis and artificial intelligence methods. Seven approaches based on power spectrum, bispectral and bicoherence vibration analyses are investigated as signal pre-processing techniques for application in the diagnosis of a number of induction motor rolling element bearing conditions. The bearing conditions considered are a normal bearing and bearings with cage and inner and outer race faults. The vibration analysis methods investigated are based on the power spectrum, the bispectrum, the bicoherence, the bispectrum diagonal slice, the bicoherence diagonal slice, the summed bispectrum and the summed bicoherence. Selected features are extracted from the vibration signatures so obtained and these are used as inputs to an artificial neural network trained to identify the bearing conditions. Quadratic phase coupling (QPC), examined using the magnitude of bispectrum and bicoherence and biphase, is shown to be absent from the bearing system and it is therefore concluded that the structure of the bearing vibration signatures results from inter-modulation effects. In order to test the proposed procedure, experimental data from a bearing test rig are used to develop an example diagnostic system. Results show that the bearing conditions examined can be diagnosed with a high success rate, particularly when using the summed bispectrum signatures.

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

NASA Astrophysics Data System (ADS)

Kamali, Kamran; Nazemnezhad, Reza; Zare, Mojtaba

2018-03-01

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

The acoustic power of a vibrating clamped circular plate revisited in the wide low frequency range using expansion into the radial polynomials.

PubMed

Rdzanek, Wojciech P

2016-06-01

This study deals with the classical problem of sound radiation of an excited clamped circular plate embedded into a flat rigid baffle. The system of the two coupled differential equations is solved, one for the excited and damped vibrations of the plate and the other one-the Helmholtz equation. An approach using the expansion into radial polynomials leads to results for the modal impedance coefficients useful for a comprehensive numerical analysis of sound radiation. The results obtained are accurate and efficient in a wide low frequency range and can easily be adopted for a simply supported circular plate. The fluid loading is included providing accurate results in resonance.

A modal aeroelastic analysis scheme for turbomachinery blading. M.S. Thesis - Case Western Reserve Univ. Final Report

NASA Technical Reports Server (NTRS)

Smith, Todd E.

1991-01-01

An aeroelastic analysis is developed which has general application to all types of axial-flow turbomachinery blades. The approach is based on linear modal analysis, where the blade's dynamic response is represented as a linear combination of contributions from each of its in-vacuum free vibrational modes. A compressible linearized unsteady potential theory is used to model the flow over the oscillating blades. The two-dimensional unsteady flow is evaluated along several stacked axisymmetric strips along the span of the airfoil. The unsteady pressures at the blade surface are integrated to result in the generalized force acting on the blade due to simple harmonic motions. The unsteady aerodynamic forces are coupled to the blade normal modes in the frequency domain using modal analysis. An iterative eigenvalue problem is solved to determine the stability of the blade when the unsteady aerodynamic forces are included in the analysis. The approach is demonstrated by applying it to a high-energy subsonic turbine blade from a rocket engine turbopump power turbine. The results indicate that this turbine could undergo flutter in an edgewise mode of vibration.

Power flow analysis of two coupled plates with arbitrary characteristics

NASA Technical Reports Server (NTRS)

Cuschieri, J. M.

1988-01-01

The limitation of keeping two plates identical is removed and the vibrational power input and output are evaluated for different area ratios, plate thickness ratios, and for different values of the structural damping loss factor for the source plate (plate with excitation) and the receiver plate. In performing this parametric analysis, the source plate characteristics are kept constant. The purpose of this parametric analysis is to be able to determine the most critical parameters that influence the flow of vibrational power from the source plate to the receiver plate. In the case of the structural damping parametric analysis, the influence of changes in the source plate damping is also investigated. As was done previously, results obtained from the mobility power flow approach will be compared to results obtained using a statistical energy analysis (SEA) approach. The significance of the power flow results are discussed together with a discussion and a comparison between SEA results and the mobility power flow results. Furthermore, the benefits that can be derived from using the mobility power flow approach, are also examined.

Development of a Methodology for the Characterisation of Air-coupled Ultrasound Probes

NASA Astrophysics Data System (ADS)

Pietroni, Paolo; Marco Revel, Gian

2010-05-01

This study is aimed at developing a technique for the characterisation of air-coupled ultrasound probes, starting from the analysis of the mechanical behaviour of the probe membrane. The vibratory behaviour of the emission membrane is studied using laser-Doppler vibrometry techniques with high frequency demodulation system (20 MHz). The determination of the vibration provides information which are useful for the assessment of the performance of the probe, in particular concerning the Quality factor and the portion of the membrane which really contributes to the emission. During the second step the results of the vibration measurements are used to calculate, by means of numerical boundary element method, the ultrasound beam emitted in terms of intensity in space. The obtained field is compared with the direct measurements carried out by scanning with the receiver probe and a pinhole plate. This comparison allows the potential and the problems of the two different characterisation techniques to be determined, even if the pinhole technique (which is currently considered the state of the art) cannot be used as an absolute reference. This study appears to be useful for paving the way for a new methodology for the calibration of air-coupled ultrasound probes, which potentially could be used not only to improve the probe manufacturing process, but also to control conformity to specifications.

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.

Multidisciplinary tailoring of hot composite structures

NASA Technical Reports Server (NTRS)

Singhal, Surendra N.; Chamis, Christos C.

1993-01-01

A computational simulation procedure is described for multidisciplinary analysis and tailoring of layered multi-material hot composite engine structural components subjected to simultaneous multiple discipline-specific thermal, structural, vibration, and acoustic loads. The effect of aggressive environments is also simulated. The simulation is based on a three-dimensional finite element analysis technique in conjunction with structural mechanics codes, thermal/acoustic analysis methods, and tailoring procedures. The integrated multidisciplinary simulation procedure is general-purpose including the coupled effects of nonlinearities in structure geometry, material, loading, and environmental complexities. The composite material behavior is assessed at all composite scales, i.e., laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization hygro-thermo-mechanical model. Sample tailoring cases exhibiting nonlinear material/loading/environmental behavior of aircraft engine fan blades, are presented. The various multidisciplinary loads lead to different tailored designs, even those competing with each other, as in the case of minimum material cost versus minimum structure weight and in the case of minimum vibration frequency versus minimum acoustic noise.

Numerical Calculation and Experiment of Coupled Dynamics of the Differential Velocity Vane Pump Driven by the Hybrid Higher-order Fourier Non-circular Gears

NASA Astrophysics Data System (ADS)

Xu, Gaohuan; Chen, Jianneng; Zhao, Huacheng

2018-06-01

The transmission systems of the differential velocity vane pumps (DVVP) have periodic vibrations under loads. And it is not easy to find the reason. In order to optimize the performance of the pump, the authors proposed DVVP driven by the hybrid Higher-order Fourier non-circular gears and tested it. There were also similar periodic vibrations and noises under loads. Taking into account this phenomenon, the paper proposes fluid mechanics and solid mechanics simulation methodology to analyze the coupling dynamics between fluid and transmission system and reveals the reason. The results show that the pump has the reverse drive phenomenon, which is that the blades drive the non-circular gears when the suction and discharge is alternating. The reverse drive phenomenon leads the sign of the shaft torque to be changed in positive and negative way. So the transmission system produces torsional vibrations. In order to confirm the simulation results, micro strains of the input shaft of the pump impeller are measured by the Wheatstone bridge and wireless sensor technology. The relationships between strain and torque are obtained by experimental calibration, and then the true torque of input shaft is calculated indirectly. The experimental results are consistent to the simulation results. It is proven that the periodic vibrations are mainly caused by fluid solid coupling, which leads to periodic torsional vibration of the transmission system.

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.

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.

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.

Thermal Vibrational Convection in a Two-phase Stratified Liquid

NASA Technical Reports Server (NTRS)

Chang, Qingming; Alexander, J. Iwan D.

2007-01-01

The response of a two-phase stratified liquid system subject to a vibration parallel to an imposed temperature gradient is analyzed using a hybrid thermal lattice Boltzmann method (HTLB). The vibrations considered correspond to sinusoidal translations of a rigid cavity at a fixed frequency. The layers are thermally and mechanically coupled. Interaction between gravity-induced and vibration-induced thermal convection is studied. The ability of applied vibration to enhance the flow, heat transfer and interface distortion is investigated. For the range of conditions investigated, the results reveal that the effect of vibrational Rayleigh number and vibrational frequency on a two-phase stratified fluid system is much different than that for a single-phase fluid system. Comparisons of the response of a two-phase stratified fluid system with a single-phase fluid system are discussed.

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.

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).

First High Resolution Analysis of the ν21 Band of Propane at 921.4 wn: Evidence of Large-Amplitude Tunnelling Effects

NASA Astrophysics Data System (ADS)

Perrin, Agnes; Kwabia Tchana, F.; Flaud, Jean-Marie; Manceron, Laurent; Demaison, Jean; Vogt, Natalja; Groner, Peter; Lafferty, Walter

2015-06-01

A high resolution (0.0015 wn) IR spectrum of propane, C_3H_8, has been recorded with synchrotron radiation at the French light source facility at SOLEIL coupled to a Bruker IFS-125 Fourier transform spectrometer. A preliminary analysis of the ν21 fundamental band (B1, CH3 rock) near 921.4 wn reveals that the rotational energy levels of 211 are split by interactions with the internal rotations of the methyl groups. Conventional analysis of this A-type band yielded band centers at 921.3724(38), 921.3821(33) and 921.3913(44) wn for the AA, EE and AE+EA tunneling splitting components, respectively. These torsional splittings most probably are due to anharmonic and/or Coriolis resonance coupling with nearby highly excited states of both internal rotations of the methyl groups. In addition, several vibrational-rotational resonances were observed that affect the torsional components in different ways. The analysis of the B-type band near 870 wn (ν8, sym. C-C stretch) which also contains split rovibrational transitions due to internal rotation is in progress. It is performed by using the effective rotational Hamiltonian method ERHAM with a code that allows prediction and least-squares fitting of such vibration-rotation spectra. A. Perrin et al., submitted to J. Mol. Spectrosc. P. Groner, J. Chem. Phys. 107 (1997) 4483; J. Mol. Spectrosc. 278 (2012) 52.

Electrical crosstalk-coupling measurement and analysis for digital closed loop fibre optic gyro

NASA Astrophysics Data System (ADS)

Jin, Jing; Tian, Hai-Ting; Pan, Xiong; Song, Ning-Fang

2010-03-01

The phase modulation and the closed-loop controller can generate electrical crosstalk-coupling in digital closed-loop fibre optic gyro. Four electrical cross-coupling paths are verified by the open-loop testing approach. It is found the variation of ramp amplitude will lead to the alternation of gyro bias. The amplitude and the phase parameters of the electrical crosstalk signal are measured by lock-in amplifier, and the variation of gyro bias is confirmed to be caused by the alternation of phase according to the amplitude of the ramp. A digital closed-loop fibre optic gyro electrical crosstalk-coupling model is built by approximating the electrical cross-coupling paths as a proportion and integration segment. The results of simulation and experiment show that the modulation signal electrical crosstalk-coupling can cause the dead zone of the gyro when a small angular velocity is inputted, and it could also lead to a periodic vibration of the bias error of the gyro when a large angular velocity is inputted.

Satellite Vibration Testing: Angle optimisation method to Reduce Overtesting

NASA Astrophysics Data System (ADS)

Knight, Charly; Remedia, Marcello; Aglietti, Guglielmo S.; Richardson, Guy

2018-06-01

Spacecraft overtesting is a long running problem, and the main focus of most attempts to reduce it has been to adjust the base vibration input (i.e. notching). Instead this paper examines testing alternatives for secondary structures (equipment) coupled to the main structure (satellite) when they are tested separately. Even if the vibration source is applied along one of the orthogonal axes at the base of the coupled system (satellite plus equipment), the dynamics of the system and potentially the interface configuration mean the vibration at the interface may not occur all along one axis much less the corresponding orthogonal axis of the base excitation. This paper proposes an alternative testing methodology in which the testing of a piece of equipment occurs at an offset angle. This Angle Optimisation method may have multiple tests but each with an altered input direction allowing for the best match between all specified equipment system responses with coupled system tests. An optimisation process that compares the calculated equipment RMS values for a range of inputs with the maximum coupled system RMS values, and is used to find the optimal testing configuration for the given parameters. A case study was performed to find the best testing angles to match the acceleration responses of the centre of mass and sum of interface forces for all three axes, as well as the von Mises stress for an element by a fastening point. The angle optimisation method resulted in RMS values and PSD responses that were much closer to the coupled system when compared with traditional testing. The optimum testing configuration resulted in an overall average error significantly smaller than the traditional method. Crucially, this case study shows that the optimum test campaign could be a single equipment level test opposed to the traditional three orthogonal direction tests.

Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions

NASA Astrophysics Data System (ADS)

Thompson, Michael C.; Baraban, Joshua H.; Matthews, Devin A.; Stanton, John F.; Weber, J. Mathias

2015-06-01

We report infrared spectra of nitromethane anion, CH3NO2-, in the region 700-2150 cm-1, obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.

Heavy atom vibrational modes and low-energy vibrational autodetachment in nitromethane anions.

PubMed

Thompson, Michael C; Baraban, Joshua H; Matthews, Devin A; Stanton, John F; Weber, J Mathias

2015-06-21

We report infrared spectra of nitromethane anion, CH3NO2 (-), in the region 700-2150 cm(-1), obtained by Ar predissociation spectroscopy and electron detachment spectroscopy. The data are interpreted in the framework of second-order vibrational perturbation theory based on coupled-cluster electronic structure calculations. The modes in the spectroscopic region studied here are mainly based on vibrations involving the heavier atoms; this work complements earlier studies on nitromethane anion that focused on the CH stretching region of the spectrum. Electron detachment begins at photon energies far below the adiabatic electron affinity due to thermal population of excited vibrational states.

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.

Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.

PubMed

Farag, Marwa H; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2013-05-28

Nonequilibrium Molecular Dynamics (MD) simulations coupled to instantaneous normal modes (INMs) analysis are used to study the vibrational relaxation of the acetyl and amino-end amide I modes of the alanine dipeptide (AlaD) molecule dissolved in water (D2O). The INMs are assigned in terms of the equilibrium normal modes using the Effective Atomic Min-Cost algorithm as adapted to make use of the outputs of standard MD packages, a method which is well suited for the description of flexible molecules. The relaxation energy curves of both amide I modes show multiexponential decays, in good agreement with the experimental findings. It is found that ~85%-90% of the energy relaxes through intramolecular vibrational redistribution. The main relaxation pathways are also identified. The rate at which energy is transferred into the solvent is similar for the acetyl-end and amino-end amide I modes. The conformational changes occurring during relaxation are investigated, showing that the populations of the alpha and beta region conformers are altered by energy transfer in such a way that it takes 15 ps for the equilibrium conformational populations to be recovered after the initial excitation of the AlaD molecule.

Vibronic transitions in the alkali-metal (Li, Na, K, Rb) - alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals

NASA Astrophysics Data System (ADS)

Pototschnig, Johann V.; Meyer, Ralf; Hauser, Andreas W.; Ernst, Wolfgang E.

2017-02-01

Research on ultracold molecules has seen a growing interest recently in the context of high-resolution spectroscopy and quantum computation. After forming weakly bound molecules from atoms in cold collisions, the preparation of molecules in low vibrational levels of the ground state is experimentally challenging, and typically achieved by population transfer using excited electronic states. Accurate potential energy surfaces are needed for a correct description of processes such as the coherent de-excitation from the highest and therefore weakly bound vibrational levels in the electronic ground state via couplings to electronically excited states. This paper is dedicated to the vibrational analysis of potentially relevant electronically excited states in the alkali-metal (Li, Na, K, Rb)- alkaline-earth metal (Ca,Sr) diatomic series. Graphical maps of Frank-Condon overlap integrals are presented for all molecules of the group. By comparison to overlap graphics produced for idealized potential surfaces, we judge the usability of the selected states for future experiments on laser-enhanced molecular formation from mixtures of quantum degenerate gases.

a Zero-Order Picture of the Infrared Spectrum for the Methoxy Radical: Assignment of States

NASA Astrophysics Data System (ADS)

Johnson, Britta; Sibert, Edwin

2016-06-01

The ground tilde{X}^2E vibrations of the methoxy radical have intrigued both experimentalists and theorists alike due to the presence of a conical intersection at the C3v molecular geometry. This conical intersection causes methoxy's vibrational spectrum to be strongly influenced by Jahn-Teller vibronic coupling which leads to large amplitude vibrations and extensive mixing of the two lowest electronic states. This coupling combined with spin-orbit and Fermi couplings greatly complicates the assignments of states. Using the potential force field and calculated spectra of Nagesh and Sibert1,2, we assign quantum numbers to the infrared spectrum. When the zero-order states are the diabatic normal mode states, there is sufficient mode mixing that the normal mode quantum numbers are poor labels for the final states. We define a series of zero-order Hamiltonians which include additional coupling elements beyond the normal mode picture but still allow for the assignment of Jahn-Teller quantum numbers. In methoxy, the two lowest frequency e} modes, the bend (q_5) and the rock (q_6), are the modes with the strongest Jahn-Teller coupling. In general, a zero-order Hamiltonian which includes first-order Jahn-Teller coupling in q_6 is sufficient for most states of interest. Working in a representation which includes first-order Jahn-Teller coupling in q_6, we identify states in which additional coupling elements must be included; these couplings include first-order Jahn-Teller coupling in q_5, higher order Jahn-Teller coupling in q_5 and q_6, and, in the dueterated case, Jahn-Teller coupling which is modulated by the corresponding a modes. [^1] Nagesh, J.; Sibert, E. L. J. Phys. Chem. A 2012, 116, 3846-3855. Lee, Y.F.; Chou, W.T.; Johnson, B.A.; Tabor, D.P. ; Sibert, E.L.; Lee, Y.P. J. Mol. Spectrosc. 2015, 310, 57-67. Barckholtz, T. A.; Miller, T. A. Int. Revs. in Phys. Chem. 1998, 17, 435-524.

Rovibrational Interactions in the Ground and Two Lowest Excited Vibrational States of Methoxy Isocyanate

NASA Astrophysics Data System (ADS)

Pienkina, A.; Margulès, L.; Motiyenko, R. A.; Guillemin, J.-C.

2017-06-01

Recent detection of methyl isocyanate (CH_3NCO) in the Orion, towards Sgr B2(N) and on the surface of the comet 67P/Churyumov-Gerasimenko motivated us to study another isocyanate, methoxy isocyanate (CH_3ONCO) as a possible candidate molecule for searches in the interstellar clouds. Neither identification or laboratory rotational spectra of CH_3ONCO has been reported up to now. Methoxy isocyanate was synthesized by the flash vacuum pyrolysis of N-Methoxycarbonyl-O-methyl-hydroxylamine (MeOC(O)NHOMe) at a temperature of 800 K. Experimental spectrum of CH_3ONCO was recorded in situ in the millimeter-wave range (75-105 GHz and 150-330 GHz) using Lille's fast-scan fully solid-state DDS spectrometer. The recorded spectrum is strongly perturbed due to the interaction between the overall rotation and the skeletal torsion. Perturbations affect even rotational transitions with low K_a levels of the ground vibrational state, appearing in shifting frequency predictions and intensities distortions of the lines. The interactions are significant due to the relatively small vibrational energy difference (≈50 \\wn) between the states and different representations of the C_s symmetry point group for the ground (A'), ν_{18}=1 (A'') and ν_{18}=2 (A') vibrational states, thus leading to a "ladder" of multiple resonances by means of a-, and b-type Coriolis coupling. The global fit analysis of the rotational spectrum of methoxy isocyanate using Coriolis coupling terms in the ground and two lowest vibrational states (ν_{18}=1 and ν_{18}=2) will be presented. J. Cernicharo, N. Marcelino, E. Roueff et al. 2012, ApJ, 759, L43 D. T. Halfen, V. V. Ilyushin, & L. M. Ziurys, 2015, ApJ, 812, L5 F. Goesmann, H. Rosenbauer, J. H. Bredehöft et al. 2015, Science, 349.6247, aab0689 This work was funded by the French ANR under the Contract No. ANR-13-BS05-0008-02 IMOLABS.

Vibration localization in dual-span, axially moving beams. Part I: Formulation and results

NASA Astrophysics Data System (ADS)

Al-Jawi, A. A. N.; Pierre, C.; Ulsoy, A. G.

1995-01-01

An investigation of the vibration localization phenomenon in dual-span, axially moving beams is presented. The effects of a tension difference among the spans, also referred to as disorder, on the natural modes of free vibration are studied in terms of inter-span coupling and transport speed. The equations governing the transverse vibration of the two-span, axially moving beam are derived through Hamilton's principle and solution methods are developed. Results demonstrate that normal mode localizationindeed occurs for both stationary and translating disordered two-span beams, especially for small inter-span coupling. The occurrence of localization is characterized by a peak deflection much greater in one span than in the other. In the stationary disordered case, localization becomes more pronounced as inter-span coupling decreases, i.e., as the span axial tension increases. In the axially moving disordered case, the transport speed has a significant influence on localization and, generally speaking, localization becomes stronger with increasing speed. For a moving beam with identical spans, the two loci of each pair of natural frequencies may exhibit one or more crossing(s) (depending on the value of tension) when plotted against the axial transport speed. These crossings become veerings when the beam is disordered, and localization is strongest at those speeds at which the eigenvalue veerings occur.

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.

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

Watching Electrons at Conical Intersections and Funnels

NASA Astrophysics Data System (ADS)

Jonas, David M.; Smith, Eric R.; Peters, William K.; Kitney, Katherine A.

2009-06-01

The electronic motion at conical intersections and funnels is probed after polarized excitation of aligned electronic wavepackets. The pulses have bandwidth sufficient to observe vibrations mainly through their effect on the electrons. Vibrational symmetry can be identified by the polarization anisotropy of vibrational quantum beats. The polarized transients show signatures of electronic wavepacket motion (due to the energy gaps) and of electron transfer between orbitals (due to the couplings) driven by the conical intersection. For a conical intersection in a four-fold symmetric symmetry silicon naphthalocyanine molecule, electronic motions on a 100 fs timescale are driven by couplings of 1 meV. In the lower symmetry free-base naphthalocyanine, the conical intersection may be missed or missing (conical funnel), and the motions are nearly as rapid, but electronic equilibration is incomplete for red-edge excitation. These experiments probe non-adiabatic electronic dynamics with near-zero nuclear momentum - the electronic motions are determined by the principal slopes of the conical intersection and the width of the vibrational wavepacket.

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

Communication: Probing non-equilibrium vibrational relaxation pathways of highly excited C≡N stretching modes following ultrafast back-electron transfer.

PubMed

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

2012-06-28

Fifth-order nonlinear visible-infrared spectroscopy is used to probe coherent and incoherent vibrational energy relaxation dynamics of highly excited vibrational modes indirectly populated via ultrafast photoinduced back-electron transfer in a trinuclear cyano-bridged mixed-valence complex. The flow of excess energy deposited into four C≡N stretching (ν(CN)) modes of the molecule is monitored by performing an IR pump-probe experiment as a function of the photochemical reaction (τ(vis)). Our results provide experimental evidence that the nuclear motions of the molecule are both coherently and incoherently coupled to the electronic charge transfer process. We observe that intramolecular vibrational relaxation dynamics among the highly excited ν(CN) modes change significantly en route to equilibrium. The experiment also measures a 7 cm(-1) shift in the frequency of a ∼57 cm(-1) oscillation reflecting a modulation of the coupling between the probed high-frequency ν(CN) modes for τ(vis) < 500 fs.

Evidence for Breakdown of Vibrational Motion in ^110Cd

NASA Astrophysics Data System (ADS)

Bangay, Jack; Garrett, Paul; Bianco, Laura; Leach, Kyle; Finlay, Paul; Green, Katie; Phillips, Andrew; Rand, Evan; Svensson, Carl; Sumithrarachchi, Chandana; Wong, James

2009-10-01

^110Cd has long been considered an excellent example of a vibrational nucleus. However, recent work with other even-even Cadmium isotopes show a breakdown of vibrational motion at the 2 and 3-phonon level, suggesting the need for more precise measurements on ^110Cd. The structure of ^110Cd is studied with the (n,n^'γ) reaction performed at the University of Kentucky, as well as with the high statistics β-decay of ^110In performed at the TRIUMF-ISAC facility using the 8π spectrometer. Excitation funcions and angular distributions from the (n,n^'γ) reaction provide us with spectroscopic information on the level scheme, including level lifetimes and spins. This data is complemented by the γγ coincidences measured in the ^110In β-decay that allows the observation of, or stringent limit on, weak, low-energy branches between levels at high excitation energy. Details of the analysis to date, including candidates for the full octupole-quadrupole coupled quintuplet, will be presented.

Photo-vibrational spectroscopy using quantum cascade laser and laser Doppler vibrometer

NASA Astrophysics Data System (ADS)

Liu, Huan; Hu, Qi; Xie, Jiecheng; Fu, Yu

2017-06-01

Photoacoustic/photothermal spectroscopy is an established technique for detection of chemicals and explosives. However, prior sample preparation is required and the analysis is conducted in a sealed space with a high-sensitivity sensor coupled with a lock-in amplifier, limiting the technique to applications in a controllable laboratory environment. Hence, this technique may not be suitable for defense and security applications where the detection of explosives or hazardous chemicals is required in an open environment at a safe standoff distance. In this study, chemicals in various forms were excited by an intensity-modulated quantum cascade laser (QCL), while a laser Doppler vibrometer (LDV) was applied to detect the vibration signal resulting from the photocoustic/photothermal effect. The photo-vibrational spectrum obtained by scanning the QCL's wavelength in MIR range, coincides well with the corresponding spectrum obtained using typical FTIR equipment. The experiment in short and long standoff distances demonstrated that the LDV is a capable sensor for chemical detection in an open environment.

Wind tunnel test of musi VI bridge

NASA Astrophysics Data System (ADS)

Permata, Robby; Andika, Matza Gusto; Syariefatunnisa, Risdhiawan, Eri; Hermawan, Budi; Noordiana, Indra

2017-11-01

Musi VI Bridge is planned to cross the Musi River in Palembang City, South Sumatera Province, Indonesia. The main span is a steel arch type with 200 m length and side span length is 75 m. Finite element analysis results showed that the bridge has frequency ratio for torsional and heaving mode (torsional frequency/heaving frequency)=1.14. This close to unity value rises concern about aerodynamic behaviour and stability of the bridge deck under wind loading. Sectional static and free vibration wind tunnel test were performed to clarify this phenomena in B2TA3 facility in Serpong, Indonesia. The test followed the draft of Guide of Wind Tunnel Test for Bridges developed by Indonesian Ministry of Public Works. Results from wind tunnel testing show that the bridge is safe from flutter instability and no coupled motion vibration observed. Therefore, low value of frequency ratio has no effect to aerodynamic behaviour of the bridge deck. Vortex-induced vibration in heaving mode occurred in relatively low wind velocity with permissible maximum amplitude value.

Low Mass-Damping Vortex-Induced Vibrations of a Single Cylinder at Moderate Reynolds Number.

PubMed

Jus, Y; Longatte, E; Chassaing, J-C; Sagaut, P

2014-10-01

The feasibility and accuracy of large eddy simulation is investigated for the case of three-dimensional unsteady flows past an elastically mounted cylinder at moderate Reynolds number. Although these flow problems are unconfined, complex wake flow patterns may be observed depending on the elastic properties of the structure. An iterative procedure is used to solve the structural dynamic equation to be coupled with the Navier-Stokes system formulated in a pseudo-Eulerian way. A moving mesh method is involved to deform the computational domain according to the motion of the fluid structure interface. Numerical simulations of vortex-induced vibrations are performed for a freely vibrating cylinder at Reynolds number 3900 in the subcritical regime under two low mass-damping conditions. A detailed physical analysis is provided for a wide range of reduced velocities, and the typical three-branch response of the amplitude behavior usually reported in the experiments is exhibited and reproduced by numerical simulation.

Stiffness Parameter Design of Suspension Element of Under-Chassis-Equipment for A Rail Vehicle

NASA Astrophysics Data System (ADS)

Ma, Menglin; Wang, Chengqiang; Deng, Hai

2017-06-01

According to the frequency configuration requirements of the vibration of railway under-chassis-equipment, the three- dimension stiffness of the suspension elements of under-chassis-equipment is designed based on the static principle and dynamics principle. The design results of the concrete engineering case show that, compared with the design method based on the static principle, the three- dimension stiffness of the suspension elements designed by the dynamic principle design method is more uniform. The frequency and decoupling degree analysis show that the calculation frequency of under-chassis-equipment under the two design methods is basically the same as the predetermined frequency. Compared with the design method based on the static principle, the design method based on the dynamic principle is adopted. The decoupling degree can be kept high, and the coupling vibration of the corresponding vibration mode can be reduced effectively, which can effectively reduce the fatigue damage of the key parts of the hanging element.

Ultrafast Solvation Dynamics and Vibrational Coherences of Halogenated Boron-Dipyrromethene Derivatives Revealed through Two-Dimensional Electronic Spectroscopy.

PubMed

Lee, Yumin; Das, Saptaparna; Malamakal, Roy M; Meloni, Stephen; Chenoweth, David M; Anna, Jessica M

2017-10-18

Boron-dipyrromethene (BODIPY) chromophores have a wide range of applications, spanning areas from biological imaging to solar energy conversion. Understanding the ultrafast dynamics of electronically excited BODIPY chromophores could lead to further advances in these areas. In this work, we characterize and compare the ultrafast dynamics of halogenated BODIPY chromophores through applying two-dimensional electronic spectroscopy (2DES). Through our studies, we demonstrate a new data analysis procedure for extracting the dynamic Stokes shift from 2DES spectra revealing an ultrafast solvent relaxation. In addition, we extract the frequency of the vibrational modes that are strongly coupled to the electronic excitation, and compare the results of structurally different BODIPY chromophores. We interpret our results with the aid of DFT calculations, finding that structural modifications lead to changes in the frequency, identity, and magnitude of Franck-Condon active vibrational modes. We attribute these changes to differences in the electron density of the electronic states of the structurally different BODIPY chromophores.

Structural coloration of metallic surfaces with micro/nano-structures induced by elliptical vibration texturing

NASA Astrophysics Data System (ADS)

Yang, Yang; Pan, Yayue; Guo, Ping

2017-04-01

Creating orderly periodic micro/nano-structures on metallic surfaces, or structural coloration, for control of surface apparent color and optical reflectivity has been an exciting research topic over the years. The direct applications of structural coloration include color marking, display devices, and invisibility cloak. This paper presents an efficient method to colorize metallic surfaces with periodic micro/nano-gratings using elliptical vibration texturing. When the tool vibration is coupled with a constant cutting velocity, controlled periodic ripples can be generated due to the overlapping tool trajectory. These periodic ripples with a wavelength near visible spectrum can act as micro-gratings to introduce iridescent colors. The proposed technique also provides a flexible method for color marking of metallic surfaces with arbitrary patterns and images by precise control of the spacing distance and orientation of induced micro/nano-ripples. Theoretical analysis and experimental results are given to demonstrate structural coloration of metals by a direct mechanical machining technique.